60
Au, (0.79THz), intensity=0.003 jmolscript: load "" {2 2 2} spacegroup "x,y,z" unitcell {5.333618   5.311483  21.828643  90.0 101.418808  90.0}; select all;vibration period 1; vibration scale 0.4; vibration on;   vector scale 1; vector on; select molecule = 3;color yellow; select molecule = 29;color yellow; select none
O     1.180633180    1.362238550    0.299241429   -0.594970142    0.037583819   -0.130482479
O    -0.705052119    0.678318030    1.315358311   -0.578364574    0.059381061   -0.086281959
C     0.234704040    1.449314409    1.270764360   -0.559777541    0.036084308   -0.096998844
C     0.473089750    2.543535208    2.227478717   -0.498832661    0.004110964   -0.076087067
C     1.588976169    3.378191118    2.079664721   -0.482084055   -0.020997970   -0.090938957
C     1.802097665    4.412272204    2.979115737   -0.424647413   -0.050770939   -0.070776803
C     0.911905190    4.621992799    4.030657062   -0.383546084   -0.055877847   -0.035906223
C    -0.197847903    3.790754242    4.170228571   -0.400484927   -0.030706870   -0.021167262
C    -0.418306601    2.764456751    3.270750477   -0.457719584   -0.000741908   -0.040884081
H     2.279769787    3.208959776    1.262641332   -0.514182632   -0.017007460   -0.118168768
H     2.668625592    5.057085679    2.864725171   -0.411714947   -0.070279544   -0.082397037
H     1.082392477    5.428300761    4.737856902   -0.338561958   -0.079363149   -0.020326376
H    -0.896103340    3.951162135    4.986441939   -0.368643808   -0.034481057    0.006076751
H    -1.279187906    2.110408297    3.364295982   -0.471599178    0.019180747   -0.029693375
H     0.909328281    0.614450030   -0.257582423   -0.633332889    0.059648409   -0.141199391
O     1.992176888   -1.293502749   10.399044557    0.594970142    0.037583819    0.130482479
O     3.877862187   -1.977423269    9.382927675    0.578364574    0.059381061    0.086281959
C     2.938106028   -1.206426890    9.427521626    0.559777541    0.036084308    0.096998844
C     2.699720318   -0.112206091    8.470807270    0.498832661    0.004110964    0.076087067
C     1.583833899    0.722449819    8.618621265    0.482084055   -0.020997970    0.090938957
C     1.370712403    1.756530905    7.719170249    0.424647413   -0.050770939    0.070776803
C     2.260904877    1.966251500    6.667628924    0.383546084   -0.055877847    0.035906223
C     3.370657971    1.135012943    6.528057415    0.400484927   -0.030706870    0.021167262
C     3.591116668    0.108715452    7.427535509    0.457719584   -0.000741908    0.040884081
H     0.893040280    0.553218477    9.435644654    0.514182632   -0.017007460    0.118168768
H     0.504184476    2.401344380    7.833560815    0.411714947   -0.070279544    0.082397037
H     2.090417590    2.772559462    5.960429084    0.338561958   -0.079363149    0.020326376
H     4.068913407    1.295420836    5.711844047    0.368643808   -0.034481057   -0.006076751
H     4.451997974   -0.545333003    7.333990004    0.471599178    0.019180747    0.029693375
H     2.263481786   -2.041291269   10.955868409    0.633332889    0.059648409    0.141199391
O    -0.168630792    3.949244048   21.097330544   -0.594970142    0.037583819   -0.130482479
O     1.717054507    4.633164568   20.081213662   -0.578364574    0.059381061   -0.086281959
C     0.777298348    3.862168189   20.125807613   -0.559777541    0.036084308   -0.096998844
C     0.538912638    2.767947390   19.169093257   -0.498832661    0.004110964   -0.076087067
C    -0.576973781    1.933291480   19.316907252   -0.482084055   -0.020997970   -0.090938957
C    -0.790095277    0.899210394   18.417456236   -0.424647413   -0.050770939   -0.070776803
C     0.100097197    0.689489799   17.365914911   -0.383546084   -0.055877847   -0.035906223
C     1.209850291    1.520728356   17.226343402   -0.400484927   -0.030706870   -0.021167262
C     1.430308988    2.547025848   18.125821496   -0.457719584   -0.000741908   -0.040884081
H    -1.267767400    2.102522822   20.133930641   -0.514182632   -0.017007460   -0.118168768
H    -1.656623204    0.254396919   18.531846802   -0.411714947   -0.070279544   -0.082397037
H    -0.070390090   -0.116818163   16.658715071   -0.338561958   -0.079363149   -0.020326376
H     1.908105727    1.360320463   16.410130034   -0.368643808   -0.034481057    0.006076751
H     2.291190294    3.201074302   18.032275991   -0.471599178    0.019180747   -0.029693375
H     0.102674106    4.697032568   21.654154396   -0.633332889    0.059648409   -0.141199391
O    -0.980174500    1.293502749   10.997527417    0.594970142    0.037583819    0.130482479
O    -2.865859799    1.977423269   12.013644298    0.578364574    0.059381061    0.086281959
C    -1.926103640    1.206426890   11.969050347    0.559777541    0.036084308    0.096998844
C    -1.687717930    0.112206091   12.925764704    0.498832661    0.004110964    0.076087067
C    -0.571831511   -0.722449819   12.777950708    0.482084055   -0.020997970    0.090938957
C    -0.358710015   -1.756530905   13.677401724    0.424647413   -0.050770939    0.070776803
C    -1.248902490   -1.966251500   14.728943049    0.383546084   -0.055877847    0.035906223
C    -2.358655583   -1.135012943   14.868514558    0.400484927   -0.030706870    0.021167262
C    -2.579114281   -0.108715452   13.969036464    0.457719584   -0.000741908    0.040884081
H     0.118962107   -0.553218477   11.960927319    0.514182632   -0.017007460    0.118168768
H     0.507817912   -2.401344380   13.563011158    0.411714947   -0.070279544    0.082397037
H    -1.078415203   -2.772559462   15.436142889    0.338561958   -0.079363149    0.020326376
H    -3.056911020   -1.295420836   15.684727926    0.368643808   -0.034481057   -0.006076751
H    -3.439995586    0.545333003   14.062581969    0.471599178    0.019180747    0.029693375
H    -1.251479399    2.041291269   10.440703564    0.633332889    0.059648409    0.141199391
060
Bg, (1.06THz), IR inactive
O     1.180633180    1.362238550    0.299241429    0.159139409   -0.160335142   -0.055936718
O    -0.705052119    0.678318030    1.315358311    0.208660491    0.003772571    0.140633909
C     0.234704040    1.449314409    1.270764360    0.266276467   -0.072580298    0.037964939
C     0.473089750    2.543535208    2.227478717    0.453153415   -0.080561219    0.002091870
C     1.588976169    3.378191118    2.079664721    0.505269685   -0.172340144   -0.118937223
C     1.802097665    4.412272204    2.979115737    0.681393276   -0.178956127   -0.151623218
C     0.911905190    4.621992799    4.030657062    0.806671982   -0.094757344   -0.064652190
C    -0.197847903    3.790754242    4.170228571    0.753982105   -0.003570274    0.055722884
C    -0.418306601    2.764456751    3.270750477    0.578483776    0.003637425    0.089055546
H     2.279769787    3.208959776    1.262641332    0.407424023   -0.237690828   -0.186354655
H     2.668625592    5.057085679    2.864725171    0.721635419   -0.250221308   -0.245569442
H     1.082392477    5.428300761    4.737856902    0.944606114   -0.100194739   -0.090568124
H    -0.896103340    3.951162135    4.986441939    0.851032339    0.062372971    0.123985527
H    -1.279187906    2.110408297    3.364295982    0.535348482    0.074201774    0.182535094
H     0.909328281    0.614450030   -0.257582423    0.041422724   -0.144993902   -0.020552875
O     1.992176888   -1.293502749   10.399044557    0.159139409    0.160335142   -0.055936718
O     3.877862187   -1.977423269    9.382927675    0.208660491   -0.003772571    0.140633909
C     2.938106028   -1.206426890    9.427521626    0.266276467    0.072580298    0.037964939
C     2.699720318   -0.112206091    8.470807270    0.453153415    0.080561219    0.002091870
C     1.583833899    0.722449819    8.618621265    0.505269685    0.172340144   -0.118937223
C     1.370712403    1.756530905    7.719170249    0.681393276    0.178956127   -0.151623218
C     2.260904877    1.966251500    6.667628924    0.806671982    0.094757344   -0.064652190
C     3.370657971    1.135012943    6.528057415    0.753982105    0.003570274    0.055722884
C     3.591116668    0.108715452    7.427535509    0.578483776   -0.003637425    0.089055546
H     0.893040280    0.553218477    9.435644654    0.407424023    0.237690828   -0.186354655
H     0.504184476    2.401344380    7.833560815    0.721635419    0.250221308   -0.245569442
H     2.090417590    2.772559462    5.960429084    0.944606114    0.100194739   -0.090568124
H     4.068913407    1.295420836    5.711844047    0.851032339   -0.062372971    0.123985527
H     4.451997974   -0.545333003    7.333990004    0.535348482   -0.074201774    0.182535094
H     2.263481786   -2.041291269   10.955868409    0.041422724    0.144993902   -0.020552875
O    -0.168630792    3.949244048   21.097330544   -0.159139409    0.160335142    0.055936718
O     1.717054507    4.633164568   20.081213662   -0.208660491   -0.003772571   -0.140633909
C     0.777298348    3.862168189   20.125807613   -0.266276467    0.072580298   -0.037964939
C     0.538912638    2.767947390   19.169093257   -0.453153415    0.080561219   -0.002091870
C    -0.576973781    1.933291480   19.316907252   -0.505269685    0.172340144    0.118937223
C    -0.790095277    0.899210394   18.417456236   -0.681393276    0.178956127    0.151623218
C     0.100097197    0.689489799   17.365914911   -0.806671982    0.094757344    0.064652190
C     1.209850291    1.520728356   17.226343402   -0.753982105    0.003570274   -0.055722884
C     1.430308988    2.547025848   18.125821496   -0.578483776   -0.003637425   -0.089055546
H    -1.267767400    2.102522822   20.133930641   -0.407424023    0.237690828    0.186354655
H    -1.656623204    0.254396919   18.531846802   -0.721635419    0.250221308    0.245569442
H    -0.070390090   -0.116818163   16.658715071   -0.944606114    0.100194739    0.090568124
H     1.908105727    1.360320463   16.410130034   -0.851032339   -0.062372971   -0.123985527
H     2.291190294    3.201074302   18.032275991   -0.535348482   -0.074201774   -0.182535094
H     0.102674106    4.697032568   21.654154396   -0.041422724    0.144993902    0.020552875
O    -0.980174500    1.293502749   10.997527417   -0.159139409   -0.160335142    0.055936718
O    -2.865859799    1.977423269   12.013644298   -0.208660491    0.003772571   -0.140633909
C    -1.926103640    1.206426890   11.969050347   -0.266276467   -0.072580298   -0.037964939
C    -1.687717930    0.112206091   12.925764704   -0.453153415   -0.080561219   -0.002091870
C    -0.571831511   -0.722449819   12.777950708   -0.505269685   -0.172340144    0.118937223
C    -0.358710015   -1.756530905   13.677401724   -0.681393276   -0.178956127    0.151623218
C    -1.248902490   -1.966251500   14.728943049   -0.806671982   -0.094757344    0.064652190
C    -2.358655583   -1.135012943   14.868514558   -0.753982105   -0.003570274   -0.055722884
C    -2.579114281   -0.108715452   13.969036464   -0.578483776    0.003637425   -0.089055546
H     0.118962107   -0.553218477   11.960927319   -0.407424023   -0.237690828    0.186354655
H     0.507817912   -2.401344380   13.563011158   -0.721635419   -0.250221308    0.245569442
H    -1.078415203   -2.772559462   15.436142889   -0.944606114   -0.100194739    0.090568124
H    -3.056911020   -1.295420836   15.684727926   -0.851032339    0.062372971   -0.123985527
H    -3.439995586    0.545333003   14.062581969   -0.535348482    0.074201774   -0.182535094
H    -1.251479399    2.041291269   10.440703564   -0.041422724   -0.144993902    0.020552875
060
Bu, (1.16THz), intensity=0.008
O     1.180633180    1.362238550    0.299241429   -0.061559526    0.662993501   -0.128662589
O    -0.705052119    0.678318030    1.315358311   -0.019351497    0.563990192   -0.117205744
C     0.234704040    1.449314409    1.270764360   -0.027378296    0.575476300   -0.088653032
C     0.473089750    2.543535208    2.227478717   -0.002121449    0.499041573   -0.009831816
C     1.588976169    3.378191118    2.079664721   -0.014387404    0.520456202    0.017632429
C     1.802097665    4.412272204    2.979115737    0.009313102    0.448504787    0.092545338
C     0.911905190    4.621992799    4.030657062    0.045347421    0.354892980    0.140374896
C    -0.197847903    3.790754242    4.170228571    0.057288747    0.334205090    0.112967837
C    -0.418306601    2.764456751    3.270750477    0.033522409    0.406097585    0.038930070
H     2.279769787    3.208959776    1.262641332   -0.042332883    0.593183208   -0.019999710
H     2.668625592    5.057085679    2.864725171   -0.000170035    0.465101875    0.113607612
H     1.082392477    5.428300761    4.737856902    0.064038325    0.298344985    0.198637243
H    -0.896103340    3.951162135    4.986441939    0.085278646    0.261482303    0.150158234
H    -1.279187906    2.110408297    3.364295982    0.042333537    0.391256203    0.016934273
H     0.909328281    0.614450030   -0.257582423   -0.075335051    0.706375202   -0.178739310
O     1.992176888   -1.293502749   10.399044557   -0.061559526   -0.662993501   -0.128662589
O     3.877862187   -1.977423269    9.382927675   -0.019351497   -0.563990192   -0.117205744
C     2.938106028   -1.206426890    9.427521626   -0.027378296   -0.575476300   -0.088653032
C     2.699720318   -0.112206091    8.470807270   -0.002121449   -0.499041573   -0.009831816
C     1.583833899    0.722449819    8.618621265   -0.014387404   -0.520456202    0.017632429
C     1.370712403    1.756530905    7.719170249    0.009313102   -0.448504787    0.092545338
C     2.260904877    1.966251500    6.667628924    0.045347421   -0.354892980    0.140374896
C     3.370657971    1.135012943    6.528057415    0.057288747   -0.334205090    0.112967837
C     3.591116668    0.108715452    7.427535509    0.033522409   -0.406097585    0.038930070
H     0.893040280    0.553218477    9.435644654   -0.042332883   -0.593183208   -0.019999710
H     0.504184476    2.401344380    7.833560815   -0.000170035   -0.465101875    0.113607612
H     2.090417590    2.772559462    5.960429084    0.064038325   -0.298344985    0.198637243
H     4.068913407    1.295420836    5.711844047    0.085278646   -0.261482303    0.150158234
H     4.451997974   -0.545333003    7.333990004    0.042333537   -0.391256203    0.016934273
H     2.263481786   -2.041291269   10.955868409   -0.075335051   -0.706375202   -0.178739310
O    -0.168630792    3.949244048   21.097330544   -0.061559526    0.662993501   -0.128662589
O     1.717054507    4.633164568   20.081213662   -0.019351497    0.563990192   -0.117205744
C     0.777298348    3.862168189   20.125807613   -0.027378296    0.575476300   -0.088653032
C     0.538912638    2.767947390   19.169093257   -0.002121449    0.499041573   -0.009831816
C    -0.576973781    1.933291480   19.316907252   -0.014387404    0.520456202    0.017632429
C    -0.790095277    0.899210394   18.417456236    0.009313102    0.448504787    0.092545338
C     0.100097197    0.689489799   17.365914911    0.045347421    0.354892980    0.140374896
C     1.209850291    1.520728356   17.226343402    0.057288747    0.334205090    0.112967837
C     1.430308988    2.547025848   18.125821496    0.033522409    0.406097585    0.038930070
H    -1.267767400    2.102522822   20.133930641   -0.042332883    0.593183208   -0.019999710
H    -1.656623204    0.254396919   18.531846802   -0.000170035    0.465101875    0.113607612
H    -0.070390090   -0.116818163   16.658715071    0.064038325    0.298344985    0.198637243
H     1.908105727    1.360320463   16.410130034    0.085278646    0.261482303    0.150158234
H     2.291190294    3.201074302   18.032275991    0.042333537    0.391256203    0.016934273
H     0.102674106    4.697032568   21.654154396   -0.075335051    0.706375202   -0.178739310
O    -0.980174500    1.293502749   10.997527417   -0.061559526   -0.662993501   -0.128662589
O    -2.865859799    1.977423269   12.013644298   -0.019351497   -0.563990192   -0.117205744
C    -1.926103640    1.206426890   11.969050347   -0.027378296   -0.575476300   -0.088653032
C    -1.687717930    0.112206091   12.925764704   -0.002121449   -0.499041573   -0.009831816
C    -0.571831511   -0.722449819   12.777950708   -0.014387404   -0.520456202    0.017632429
C    -0.358710015   -1.756530905   13.677401724    0.009313102   -0.448504787    0.092545338
C    -1.248902490   -1.966251500   14.728943049    0.045347421   -0.354892980    0.140374896
C    -2.358655583   -1.135012943   14.868514558    0.057288747   -0.334205090    0.112967837
C    -2.579114281   -0.108715452   13.969036464    0.033522409   -0.406097585    0.038930070
H     0.118962107   -0.553218477   11.960927319   -0.042332883   -0.593183208   -0.019999710
H     0.507817912   -2.401344380   13.563011158   -0.000170035   -0.465101875    0.113607612
H    -1.078415203   -2.772559462   15.436142889    0.064038325   -0.298344985    0.198637243
H    -3.056911020   -1.295420836   15.684727926    0.085278646   -0.261482303    0.150158234
H    -3.439995586    0.545333003   14.062581969    0.042333537   -0.391256203    0.016934273
H    -1.251479399    2.041291269   10.440703564   -0.075335051   -0.706375202   -0.178739310
060
Au, (1.34THz), intensity=0.002
O     1.180633180    1.362238550    0.299241429    0.056699878   -0.147122786    0.607460913
O    -0.705052119    0.678318030    1.315358311   -0.013932003   -0.083546951    0.521576145
C     0.234704040    1.449314409    1.270764360   -0.015748279   -0.080651281    0.533015750
C     0.473089750    2.543535208    2.227478717   -0.093782884   -0.007431251    0.470397784
C     1.588976169    3.378191118    2.079664721   -0.088385592   -0.011096119    0.489876991
C     1.802097665    4.412272204    2.979115737   -0.161785023    0.057668435    0.429828006
C     0.911905190    4.621992799    4.030657062   -0.240966399    0.130501478    0.350453355
C    -0.197847903    3.790754242    4.170228571   -0.245776608    0.133589843    0.331167682
C    -0.418306601    2.764456751    3.270750477   -0.172426815    0.064774583    0.390123800
H     2.279769787    3.208959776    1.262641332   -0.026821800   -0.067691458    0.551943966
H     2.668625592    5.057085679    2.864725171   -0.157600782    0.054851923    0.445196274
H     1.082392477    5.428300761    4.737856902   -0.298632475    0.184587470    0.303939517
H    -0.896103340    3.951162135    4.986441939   -0.307221938    0.190075022    0.269206522
H    -1.279187906    2.110408297    3.364295982   -0.175007729    0.066067687    0.375836398
H     0.909328281    0.614450030   -0.257582423    0.102853324   -0.190617553    0.642451514
O     1.992176888   -1.293502749   10.399044557   -0.056699878   -0.147122786   -0.607460913
O     3.877862187   -1.977423269    9.382927675    0.013932003   -0.083546951   -0.521576145
C     2.938106028   -1.206426890    9.427521626    0.015748279   -0.080651281   -0.533015750
C     2.699720318   -0.112206091    8.470807270    0.093782884   -0.007431251   -0.470397784
C     1.583833899    0.722449819    8.618621265    0.088385592   -0.011096119   -0.489876991
C     1.370712403    1.756530905    7.719170249    0.161785023    0.057668435   -0.429828006
C     2.260904877    1.966251500    6.667628924    0.240966399    0.130501478   -0.350453355
C     3.370657971    1.135012943    6.528057415    0.245776608    0.133589843   -0.331167682
C     3.591116668    0.108715452    7.427535509    0.172426815    0.064774583   -0.390123800
H     0.893040280    0.553218477    9.435644654    0.026821800   -0.067691458   -0.551943966
H     0.504184476    2.401344380    7.833560815    0.157600782    0.054851923   -0.445196274
H     2.090417590    2.772559462    5.960429084    0.298632475    0.184587470   -0.303939517
H     4.068913407    1.295420836    5.711844047    0.307221938    0.190075022   -0.269206522
H     4.451997974   -0.545333003    7.333990004    0.175007729    0.066067687   -0.375836398
H     2.263481786   -2.041291269   10.955868409   -0.102853324   -0.190617553   -0.642451514
O    -0.168630792    3.949244048   21.097330544    0.056699878   -0.147122786    0.607460913
O     1.717054507    4.633164568   20.081213662   -0.013932003   -0.083546951    0.521576145
C     0.777298348    3.862168189   20.125807613   -0.015748279   -0.080651281    0.533015750
C     0.538912638    2.767947390   19.169093257   -0.093782884   -0.007431251    0.470397784
C    -0.576973781    1.933291480   19.316907252   -0.088385592   -0.011096119    0.489876991
C    -0.790095277    0.899210394   18.417456236   -0.161785023    0.057668435    0.429828006
C     0.100097197    0.689489799   17.365914911   -0.240966399    0.130501478    0.350453355
C     1.209850291    1.520728356   17.226343402   -0.245776608    0.133589843    0.331167682
C     1.430308988    2.547025848   18.125821496   -0.172426815    0.064774583    0.390123800
H    -1.267767400    2.102522822   20.133930641   -0.026821800   -0.067691458    0.551943966
H    -1.656623204    0.254396919   18.531846802   -0.157600782    0.054851923    0.445196274
H    -0.070390090   -0.116818163   16.658715071   -0.298632475    0.184587470    0.303939517
H     1.908105727    1.360320463   16.410130034   -0.307221938    0.190075022    0.269206522
H     2.291190294    3.201074302   18.032275991   -0.175007729    0.066067687    0.375836398
H     0.102674106    4.697032568   21.654154396    0.102853324   -0.190617553    0.642451514
O    -0.980174500    1.293502749   10.997527417   -0.056699878   -0.147122786   -0.607460913
O    -2.865859799    1.977423269   12.013644298    0.013932003   -0.083546951   -0.521576145
C    -1.926103640    1.206426890   11.969050347    0.015748279   -0.080651281   -0.533015750
C    -1.687717930    0.112206091   12.925764704    0.093782884   -0.007431251   -0.470397784
C    -0.571831511   -0.722449819   12.777950708    0.088385592   -0.011096119   -0.489876991
C    -0.358710015   -1.756530905   13.677401724    0.161785023    0.057668435   -0.429828006
C    -1.248902490   -1.966251500   14.728943049    0.240966399    0.130501478   -0.350453355
C    -2.358655583   -1.135012943   14.868514558    0.245776608    0.133589843   -0.331167682
C    -2.579114281   -0.108715452   13.969036464    0.172426815    0.064774583   -0.390123800
H     0.118962107   -0.553218477   11.960927319    0.026821800   -0.067691458   -0.551943966
H     0.507817912   -2.401344380   13.563011158    0.157600782    0.054851923   -0.445196274
H    -1.078415203   -2.772559462   15.436142889    0.298632475    0.184587470   -0.303939517
H    -3.056911020   -1.295420836   15.684727926    0.307221938    0.190075022   -0.269206522
H    -3.439995586    0.545333003   14.062581969    0.175007729    0.066067687   -0.375836398
H    -1.251479399    2.041291269   10.440703564   -0.102853324   -0.190617553   -0.642451514
060
Ag, (1.62THz), IR inactive
O     1.180633180    1.362238550    0.299241429    0.191601559   -0.158106164   -0.093772084
O    -0.705052119    0.678318030    1.315358311    0.223224058    0.054571036    0.102243907
C     0.234704040    1.449314409    1.270764360    0.279544962   -0.021507039   -0.022310832
C     0.473089750    2.543535208    2.227478717    0.444689156    0.021896724   -0.110035091
C     1.588976169    3.378191118    2.079664721    0.497344871   -0.074584539   -0.252886352
C     1.802097665    4.412272204    2.979115737    0.653021471   -0.032922301   -0.334803794
C     0.911905190    4.621992799    4.030657062    0.757201425    0.104519031   -0.275534087
C    -0.197847903    3.790754242    4.170228571    0.704123274    0.199988728   -0.133396193
C    -0.418306601    2.764456751    3.270750477    0.549050609    0.158896168   -0.051371624
H     2.279769787    3.208959776    1.262641332    0.415910096   -0.181305887   -0.298473491
H     2.668625592    5.057085679    2.864725171    0.693684201   -0.107818215   -0.445524469
H     1.082392477    5.428300761    4.737856902    0.879077905    0.137048932   -0.339756136
H    -0.896103340    3.951162135    4.986441939    0.784803196    0.307238746   -0.086650961
H    -1.279187906    2.110408297    3.364295982    0.505927232    0.232002110    0.059465628
H     0.909328281    0.614450030   -0.257582423    0.086845190   -0.173043887   -0.025010392
O     1.992176888   -1.293502749   10.399044557   -0.191601559   -0.158106164    0.093772084
O     3.877862187   -1.977423269    9.382927675   -0.223224058    0.054571036   -0.102243907
C     2.938106028   -1.206426890    9.427521626   -0.279544962   -0.021507039    0.022310832
C     2.699720318   -0.112206091    8.470807270   -0.444689156    0.021896724    0.110035091
C     1.583833899    0.722449819    8.618621265   -0.497344871   -0.074584539    0.252886352
C     1.370712403    1.756530905    7.719170249   -0.653021471   -0.032922301    0.334803794
C     2.260904877    1.966251500    6.667628924   -0.757201425    0.104519031    0.275534087
C     3.370657971    1.135012943    6.528057415   -0.704123274    0.199988728    0.133396193
C     3.591116668    0.108715452    7.427535509   -0.549050609    0.158896168    0.051371624
H     0.893040280    0.553218477    9.435644654   -0.415910096   -0.181305887    0.298473491
H     0.504184476    2.401344380    7.833560815   -0.693684201   -0.107818215    0.445524469
H     2.090417590    2.772559462    5.960429084   -0.879077905    0.137048932    0.339756136
H     4.068913407    1.295420836    5.711844047   -0.784803196    0.307238746    0.086650961
H     4.451997974   -0.545333003    7.333990004   -0.505927232    0.232002110   -0.059465628
H     2.263481786   -2.041291269   10.955868409   -0.086845190   -0.173043887    0.025010392
O    -0.168630792    3.949244048   21.097330544   -0.191601559    0.158106164    0.093772084
O     1.717054507    4.633164568   20.081213662   -0.223224058   -0.054571036   -0.102243907
C     0.777298348    3.862168189   20.125807613   -0.279544962    0.021507039    0.022310832
C     0.538912638    2.767947390   19.169093257   -0.444689156   -0.021896724    0.110035091
C    -0.576973781    1.933291480   19.316907252   -0.497344871    0.074584539    0.252886352
C    -0.790095277    0.899210394   18.417456236   -0.653021471    0.032922301    0.334803794
C     0.100097197    0.689489799   17.365914911   -0.757201425   -0.104519031    0.275534087
C     1.209850291    1.520728356   17.226343402   -0.704123274   -0.199988728    0.133396193
C     1.430308988    2.547025848   18.125821496   -0.549050609   -0.158896168    0.051371624
H    -1.267767400    2.102522822   20.133930641   -0.415910096    0.181305887    0.298473491
H    -1.656623204    0.254396919   18.531846802   -0.693684201    0.107818215    0.445524469
H    -0.070390090   -0.116818163   16.658715071   -0.879077905   -0.137048932    0.339756136
H     1.908105727    1.360320463   16.410130034   -0.784803196   -0.307238746    0.086650961
H     2.291190294    3.201074302   18.032275991   -0.505927232   -0.232002110   -0.059465628
H     0.102674106    4.697032568   21.654154396   -0.086845190    0.173043887    0.025010392
O    -0.980174500    1.293502749   10.997527417    0.191601559    0.158106164   -0.093772084
O    -2.865859799    1.977423269   12.013644298    0.223224058   -0.054571036    0.102243907
C    -1.926103640    1.206426890   11.969050347    0.279544962    0.021507039   -0.022310832
C    -1.687717930    0.112206091   12.925764704    0.444689156   -0.021896724   -0.110035091
C    -0.571831511   -0.722449819   12.777950708    0.497344871    0.074584539   -0.252886352
C    -0.358710015   -1.756530905   13.677401724    0.653021471    0.032922301   -0.334803794
C    -1.248902490   -1.966251500   14.728943049    0.757201425   -0.104519031   -0.275534087
C    -2.358655583   -1.135012943   14.868514558    0.704123274   -0.199988728   -0.133396193
C    -2.579114281   -0.108715452   13.969036464    0.549050609   -0.158896168   -0.051371624
H     0.118962107   -0.553218477   11.960927319    0.415910096    0.181305887   -0.298473491
H     0.507817912   -2.401344380   13.563011158    0.693684201    0.107818215   -0.445524469
H    -1.078415203   -2.772559462   15.436142889    0.879077905   -0.137048932   -0.339756136
H    -3.056911020   -1.295420836   15.684727926    0.784803196   -0.307238746   -0.086650961
H    -3.439995586    0.545333003   14.062581969    0.505927232   -0.232002110    0.059465628
H    -1.251479399    2.041291269   10.440703564    0.086845190    0.173043887   -0.025010392
060
Ag, (1.81THz), IR inactive
O     1.180633180    1.362238550    0.299241429    0.174370469   -0.130128541    0.140920882
O    -0.705052119    0.678318030    1.315358311    0.184090086   -0.260524219    0.073253576
C     0.234704040    1.449314409    1.270764360    0.175652971   -0.245536794    0.152178067
C     0.473089750    2.543535208    2.227478717    0.166013599   -0.346538482    0.266629959
C     1.588976169    3.378191118    2.079664721    0.156652004   -0.318471828    0.351851538
C     1.802097665    4.412272204    2.979115737    0.147531708   -0.413547017    0.460040014
C     0.911905190    4.621992799    4.030657062    0.147671496   -0.537015918    0.484060796
C    -0.197847903    3.790754242    4.170228571    0.156977280   -0.564123893    0.399184621
C    -0.418306601    2.764456751    3.270750477    0.166013367   -0.469125093    0.291830317
H     2.279769787    3.208959776    1.262641332    0.156611319   -0.222548691    0.332529647
H     2.668625592    5.057085679    2.864725171    0.140298956   -0.391794703    0.525868060
H     1.082392477    5.428300761    4.737856902    0.140573524   -0.611737914    0.568409463
H    -0.896103340    3.951162135    4.986441939    0.157111499   -0.660040001    0.417595957
H    -1.279187906    2.110408297    3.364295982    0.173298241   -0.488559570    0.225019230
H     0.909328281    0.614450030   -0.257582423    0.181180020   -0.072776934    0.062946092
O     1.992176888   -1.293502749   10.399044557   -0.174370469   -0.130128541   -0.140920882
O     3.877862187   -1.977423269    9.382927675   -0.184090086   -0.260524219   -0.073253576
C     2.938106028   -1.206426890    9.427521626   -0.175652971   -0.245536794   -0.152178067
C     2.699720318   -0.112206091    8.470807270   -0.166013599   -0.346538482   -0.266629959
C     1.583833899    0.722449819    8.618621265   -0.156652004   -0.318471828   -0.351851538
C     1.370712403    1.756530905    7.719170249   -0.147531708   -0.413547017   -0.460040014
C     2.260904877    1.966251500    6.667628924   -0.147671496   -0.537015918   -0.484060796
C     3.370657971    1.135012943    6.528057415   -0.156977280   -0.564123893   -0.399184621
C     3.591116668    0.108715452    7.427535509   -0.166013367   -0.469125093   -0.291830317
H     0.893040280    0.553218477    9.435644654   -0.156611319   -0.222548691   -0.332529647
H     0.504184476    2.401344380    7.833560815   -0.140298956   -0.391794703   -0.525868060
H     2.090417590    2.772559462    5.960429084   -0.140573524   -0.611737914   -0.568409463
H     4.068913407    1.295420836    5.711844047   -0.157111499   -0.660040001   -0.417595957
H     4.451997974   -0.545333003    7.333990004   -0.173298241   -0.488559570   -0.225019230
H     2.263481786   -2.041291269   10.955868409   -0.181180020   -0.072776934   -0.062946092
O    -0.168630792    3.949244048   21.097330544   -0.174370469    0.130128541   -0.140920882
O     1.717054507    4.633164568   20.081213662   -0.184090086    0.260524219   -0.073253576
C     0.777298348    3.862168189   20.125807613   -0.175652971    0.245536794   -0.152178067
C     0.538912638    2.767947390   19.169093257   -0.166013599    0.346538482   -0.266629959
C    -0.576973781    1.933291480   19.316907252   -0.156652004    0.318471828   -0.351851538
C    -0.790095277    0.899210394   18.417456236   -0.147531708    0.413547017   -0.460040014
C     0.100097197    0.689489799   17.365914911   -0.147671496    0.537015918   -0.484060796
C     1.209850291    1.520728356   17.226343402   -0.156977280    0.564123893   -0.399184621
C     1.430308988    2.547025848   18.125821496   -0.166013367    0.469125093   -0.291830317
H    -1.267767400    2.102522822   20.133930641   -0.156611319    0.222548691   -0.332529647
H    -1.656623204    0.254396919   18.531846802   -0.140298956    0.391794703   -0.525868060
H    -0.070390090   -0.116818163   16.658715071   -0.140573524    0.611737914   -0.568409463
H     1.908105727    1.360320463   16.410130034   -0.157111499    0.660040001   -0.417595957
H     2.291190294    3.201074302   18.032275991   -0.173298241    0.488559570   -0.225019230
H     0.102674106    4.697032568   21.654154396   -0.181180020    0.072776934   -0.062946092
O    -0.980174500    1.293502749   10.997527417    0.174370469    0.130128541    0.140920882
O    -2.865859799    1.977423269   12.013644298    0.184090086    0.260524219    0.073253576
C    -1.926103640    1.206426890   11.969050347    0.175652971    0.245536794    0.152178067
C    -1.687717930    0.112206091   12.925764704    0.166013599    0.346538482    0.266629959
C    -0.571831511   -0.722449819   12.777950708    0.156652004    0.318471828    0.351851538
C    -0.358710015   -1.756530905   13.677401724    0.147531708    0.413547017    0.460040014
C    -1.248902490   -1.966251500   14.728943049    0.147671496    0.537015918    0.484060796
C    -2.358655583   -1.135012943   14.868514558    0.156977280    0.564123893    0.399184621
C    -2.579114281   -0.108715452   13.969036464    0.166013367    0.469125093    0.291830317
H     0.118962107   -0.553218477   11.960927319    0.156611319    0.222548691    0.332529647
H     0.507817912   -2.401344380   13.563011158    0.140298956    0.391794703    0.525868060
H    -1.078415203   -2.772559462   15.436142889    0.140573524    0.611737914    0.568409463
H    -3.056911020   -1.295420836   15.684727926    0.157111499    0.660040001    0.417595957
H    -3.439995586    0.545333003   14.062581969    0.173298241    0.488559570    0.225019230
H    -1.251479399    2.041291269   10.440703564    0.181180020    0.072776934    0.062946092
060
Bg, (1.89THz), IR inactive
O     1.180633180    1.362238550    0.299241429    0.075244740   -0.044682033    0.262538840
O    -0.705052119    0.678318030    1.315358311    0.070837073   -0.199414933    0.153482400
C     0.234704040    1.449314409    1.270764360    0.053200221   -0.172002178    0.252724715
C     0.473089750    2.543535208    2.227478717    0.007224779   -0.269230325    0.371684861
C     1.588976169    3.378191118    2.079664721   -0.009824402   -0.226470487    0.481090791
C     1.802097665    4.412272204    2.979115737   -0.053176855   -0.318143718    0.593270539
C     0.911905190    4.621992799    4.030657062   -0.079815677   -0.452734485    0.597369797
C    -0.197847903    3.790754242    4.170228571   -0.062679477   -0.494459655    0.488443393
C    -0.418306601    2.764456751    3.270750477   -0.019513765   -0.402960066    0.376930141
H     2.279769787    3.208959776    1.262641332    0.011024544   -0.121917387    0.477232416
H     2.668625592    5.057085679    2.864725171   -0.066344159   -0.284981341    0.677880810
H     1.082392477    5.428300761    4.737856902   -0.113739532   -0.524742984    0.684925736
H    -0.896103340    3.951162135    4.986441939   -0.083299471   -0.599105133    0.491231728
H    -1.279187906    2.110408297    3.364295982   -0.005696208   -0.433743161    0.291469199
H     0.909328281    0.614450030   -0.257582423    0.104672624    0.008716574    0.179075964
O     1.992176888   -1.293502749   10.399044557    0.075244740    0.044682033    0.262538840
O     3.877862187   -1.977423269    9.382927675    0.070837073    0.199414933    0.153482400
C     2.938106028   -1.206426890    9.427521626    0.053200221    0.172002178    0.252724715
C     2.699720318   -0.112206091    8.470807270    0.007224779    0.269230325    0.371684861
C     1.583833899    0.722449819    8.618621265   -0.009824402    0.226470487    0.481090791
C     1.370712403    1.756530905    7.719170249   -0.053176855    0.318143718    0.593270539
C     2.260904877    1.966251500    6.667628924   -0.079815677    0.452734485    0.597369797
C     3.370657971    1.135012943    6.528057415   -0.062679477    0.494459655    0.488443393
C     3.591116668    0.108715452    7.427535509   -0.019513765    0.402960066    0.376930141
H     0.893040280    0.553218477    9.435644654    0.011024544    0.121917387    0.477232416
H     0.504184476    2.401344380    7.833560815   -0.066344159    0.284981341    0.677880810
H     2.090417590    2.772559462    5.960429084   -0.113739532    0.524742984    0.684925736
H     4.068913407    1.295420836    5.711844047   -0.083299471    0.599105133    0.491231728
H     4.451997974   -0.545333003    7.333990004   -0.005696208    0.433743161    0.291469199
H     2.263481786   -2.041291269   10.955868409    0.104672624   -0.008716574    0.179075964
O    -0.168630792    3.949244048   21.097330544   -0.075244740    0.044682033   -0.262538840
O     1.717054507    4.633164568   20.081213662   -0.070837073    0.199414933   -0.153482400
C     0.777298348    3.862168189   20.125807613   -0.053200221    0.172002178   -0.252724715
C     0.538912638    2.767947390   19.169093257   -0.007224779    0.269230325   -0.371684861
C    -0.576973781    1.933291480   19.316907252    0.009824402    0.226470487   -0.481090791
C    -0.790095277    0.899210394   18.417456236    0.053176855    0.318143718   -0.593270539
C     0.100097197    0.689489799   17.365914911    0.079815677    0.452734485   -0.597369797
C     1.209850291    1.520728356   17.226343402    0.062679477    0.494459655   -0.488443393
C     1.430308988    2.547025848   18.125821496    0.019513765    0.402960066   -0.376930141
H    -1.267767400    2.102522822   20.133930641   -0.011024544    0.121917387   -0.477232416
H    -1.656623204    0.254396919   18.531846802    0.066344159    0.284981341   -0.677880810
H    -0.070390090   -0.116818163   16.658715071    0.113739532    0.524742984   -0.684925736
H     1.908105727    1.360320463   16.410130034    0.083299471    0.599105133   -0.491231728
H     2.291190294    3.201074302   18.032275991    0.005696208    0.433743161   -0.291469199
H     0.102674106    4.697032568   21.654154396   -0.104672624   -0.008716574   -0.179075964
O    -0.980174500    1.293502749   10.997527417   -0.075244740   -0.044682033   -0.262538840
O    -2.865859799    1.977423269   12.013644298   -0.070837073   -0.199414933   -0.153482400
C    -1.926103640    1.206426890   11.969050347   -0.053200221   -0.172002178   -0.252724715
C    -1.687717930    0.112206091   12.925764704   -0.007224779   -0.269230325   -0.371684861
C    -0.571831511   -0.722449819   12.777950708    0.009824402   -0.226470487   -0.481090791
C    -0.358710015   -1.756530905   13.677401724    0.053176855   -0.318143718   -0.593270539
C    -1.248902490   -1.966251500   14.728943049    0.079815677   -0.452734485   -0.597369797
C    -2.358655583   -1.135012943   14.868514558    0.062679477   -0.494459655   -0.488443393
C    -2.579114281   -0.108715452   13.969036464    0.019513765   -0.402960066   -0.376930141
H     0.118962107   -0.553218477   11.960927319   -0.011024544   -0.121917387   -0.477232416
H     0.507817912   -2.401344380   13.563011158    0.066344159   -0.284981341   -0.677880810
H    -1.078415203   -2.772559462   15.436142889    0.113739532   -0.524742984   -0.684925736
H    -3.056911020   -1.295420836   15.684727926    0.083299471   -0.599105133   -0.491231728
H    -3.439995586    0.545333003   14.062581969    0.005696208   -0.433743161   -0.291469199
H    -1.251479399    2.041291269   10.440703564   -0.104672624    0.008716574   -0.179075964
060
Bu, (2.33THz), intensity=0.404
O     1.180633180    1.362238550    0.299241429    1.061803149   -0.032555890    0.459745971
O    -0.705052119    0.678318030    1.315358311    0.840529749   -0.292657184   -0.109404423
C     0.234704040    1.449314409    1.270764360    0.679208396   -0.083430718    0.101575239
C     0.473089750    2.543535208    2.227478717    0.069671247    0.136503779    0.003287610
C     1.588976169    3.378191118    2.079664721   -0.067830300    0.368592155    0.267473061
C     1.802097665    4.412272204    2.979115737   -0.642119905    0.572824612    0.170186381
C     0.911905190    4.621992799    4.030657062   -1.082879923    0.548607765   -0.188464507
C    -0.197847903    3.790754242    4.170228571   -0.943091717    0.316514301   -0.450994425
C    -0.418306601    2.764456751    3.270750477   -0.370588606    0.110583614   -0.357672429
H     2.279769787    3.208959776    1.262641332    0.276080377    0.387208331    0.546878133
H     2.668625592    5.057085679    2.864725171   -0.748273283    0.753117667    0.375894876
H     1.082392477    5.428300761    4.737856902   -1.532862219    0.709860759   -0.262766809
H    -0.896103340    3.951162135    4.986441939   -1.284663542    0.296036175   -0.731619970
H    -1.279187906    2.110408297    3.364295982   -0.254525885   -0.071999198   -0.559765314
H     0.909328281    0.614450030   -0.257582423    1.442169566   -0.191158876    0.487562246
O     1.992176888   -1.293502749   10.399044557    1.061803149    0.032555890    0.459745971
O     3.877862187   -1.977423269    9.382927675    0.840529749    0.292657184   -0.109404423
C     2.938106028   -1.206426890    9.427521626    0.679208396    0.083430718    0.101575239
C     2.699720318   -0.112206091    8.470807270    0.069671247   -0.136503779    0.003287610
C     1.583833899    0.722449819    8.618621265   -0.067830300   -0.368592155    0.267473061
C     1.370712403    1.756530905    7.719170249   -0.642119905   -0.572824612    0.170186381
C     2.260904877    1.966251500    6.667628924   -1.082879923   -0.548607765   -0.188464507
C     3.370657971    1.135012943    6.528057415   -0.943091717   -0.316514301   -0.450994425
C     3.591116668    0.108715452    7.427535509   -0.370588606   -0.110583614   -0.357672429
H     0.893040280    0.553218477    9.435644654    0.276080377   -0.387208331    0.546878133
H     0.504184476    2.401344380    7.833560815   -0.748273283   -0.753117667    0.375894876
H     2.090417590    2.772559462    5.960429084   -1.532862219   -0.709860759   -0.262766809
H     4.068913407    1.295420836    5.711844047   -1.284663542   -0.296036175   -0.731619970
H     4.451997974   -0.545333003    7.333990004   -0.254525885    0.071999198   -0.559765314
H     2.263481786   -2.041291269   10.955868409    1.442169566    0.191158876    0.487562246
O    -0.168630792    3.949244048   21.097330544    1.061803149   -0.032555890    0.459745971
O     1.717054507    4.633164568   20.081213662    0.840529749   -0.292657184   -0.109404423
C     0.777298348    3.862168189   20.125807613    0.679208396   -0.083430718    0.101575239
C     0.538912638    2.767947390   19.169093257    0.069671247    0.136503779    0.003287610
C    -0.576973781    1.933291480   19.316907252   -0.067830300    0.368592155    0.267473061
C    -0.790095277    0.899210394   18.417456236   -0.642119905    0.572824612    0.170186381
C     0.100097197    0.689489799   17.365914911   -1.082879923    0.548607765   -0.188464507
C     1.209850291    1.520728356   17.226343402   -0.943091717    0.316514301   -0.450994425
C     1.430308988    2.547025848   18.125821496   -0.370588606    0.110583614   -0.357672429
H    -1.267767400    2.102522822   20.133930641    0.276080377    0.387208331    0.546878133
H    -1.656623204    0.254396919   18.531846802   -0.748273283    0.753117667    0.375894876
H    -0.070390090   -0.116818163   16.658715071   -1.532862219    0.709860759   -0.262766809
H     1.908105727    1.360320463   16.410130034   -1.284663542    0.296036175   -0.731619970
H     2.291190294    3.201074302   18.032275991   -0.254525885   -0.071999198   -0.559765314
H     0.102674106    4.697032568   21.654154396    1.442169566   -0.191158876    0.487562246
O    -0.980174500    1.293502749   10.997527417    1.061803149    0.032555890    0.459745971
O    -2.865859799    1.977423269   12.013644298    0.840529749    0.292657184   -0.109404423
C    -1.926103640    1.206426890   11.969050347    0.679208396    0.083430718    0.101575239
C    -1.687717930    0.112206091   12.925764704    0.069671247   -0.136503779    0.003287610
C    -0.571831511   -0.722449819   12.777950708   -0.067830300   -0.368592155    0.267473061
C    -0.358710015   -1.756530905   13.677401724   -0.642119905   -0.572824612    0.170186381
C    -1.248902490   -1.966251500   14.728943049   -1.082879923   -0.548607765   -0.188464507
C    -2.358655583   -1.135012943   14.868514558   -0.943091717   -0.316514301   -0.450994425
C    -2.579114281   -0.108715452   13.969036464   -0.370588606   -0.110583614   -0.357672429
H     0.118962107   -0.553218477   11.960927319    0.276080377   -0.387208331    0.546878133
H     0.507817912   -2.401344380   13.563011158   -0.748273283   -0.753117667    0.375894876
H    -1.078415203   -2.772559462   15.436142889   -1.532862219   -0.709860759   -0.262766809
H    -3.056911020   -1.295420836   15.684727926   -1.284663542   -0.296036175   -0.731619970
H    -3.439995586    0.545333003   14.062581969   -0.254525885    0.071999198   -0.559765314
H    -1.251479399    2.041291269   10.440703564    1.442169566    0.191158876    0.487562246
060
Au, (2.66THz), intensity=0.012
O     1.180633180    1.362238550    0.299241429   -0.115526458    0.859838156   -0.362085096
O    -0.705052119    0.678318030    1.315358311    0.009257007    0.383985309   -0.447893648
C     0.234704040    1.449314409    1.270764360   -0.017004627    0.428908634   -0.231217439
C     0.473089750    2.543535208    2.227478717    0.051726765    0.037364439    0.187069941
C     1.588976169    3.378191118    2.079664721    0.012952390    0.130193619    0.411669426
C     1.802097665    4.412272204    2.979115737    0.077419737   -0.238223469    0.808193028
C     0.911905190    4.621992799    4.030657062    0.180817074   -0.700897076    0.983009407
C    -0.197847903    3.790754242    4.170228571    0.218638997   -0.790123285    0.759169667
C    -0.418306601    2.764456751    3.270750477    0.153950498   -0.421900742    0.366531031
H     2.279769787    3.208959776    1.262641332   -0.067208706    0.489656079    0.273389867
H     2.668625592    5.057085679    2.864725171    0.047444134   -0.166301518    0.981258389
H     1.082392477    5.428300761    4.737856902    0.231694215   -0.990485785    1.291759036
H    -0.896103340    3.951162135    4.986441939    0.298963420   -1.149457886    0.894636971
H    -1.279187906    2.110408297    3.364295982    0.182018853   -0.484987568    0.189159422
H     0.909328281    0.614450030   -0.257582423   -0.152417480    1.084005007   -0.636981034
O     1.992176888   -1.293502749   10.399044557    0.115526458    0.859838156    0.362085096
O     3.877862187   -1.977423269    9.382927675   -0.009257007    0.383985309    0.447893648
C     2.938106028   -1.206426890    9.427521626    0.017004627    0.428908634    0.231217439
C     2.699720318   -0.112206091    8.470807270   -0.051726765    0.037364439   -0.187069941
C     1.583833899    0.722449819    8.618621265   -0.012952390    0.130193619   -0.411669426
C     1.370712403    1.756530905    7.719170249   -0.077419737   -0.238223469   -0.808193028
C     2.260904877    1.966251500    6.667628924   -0.180817074   -0.700897076   -0.983009407
C     3.370657971    1.135012943    6.528057415   -0.218638997   -0.790123285   -0.759169667
C     3.591116668    0.108715452    7.427535509   -0.153950498   -0.421900742   -0.366531031
H     0.893040280    0.553218477    9.435644654    0.067208706    0.489656079   -0.273389867
H     0.504184476    2.401344380    7.833560815   -0.047444134   -0.166301518   -0.981258389
H     2.090417590    2.772559462    5.960429084   -0.231694215   -0.990485785   -1.291759036
H     4.068913407    1.295420836    5.711844047   -0.298963420   -1.149457886   -0.894636971
H     4.451997974   -0.545333003    7.333990004   -0.182018853   -0.484987568   -0.189159422
H     2.263481786   -2.041291269   10.955868409    0.152417480    1.084005007    0.636981034
O    -0.168630792    3.949244048   21.097330544   -0.115526458    0.859838156   -0.362085096
O     1.717054507    4.633164568   20.081213662    0.009257007    0.383985309   -0.447893648
C     0.777298348    3.862168189   20.125807613   -0.017004627    0.428908634   -0.231217439
C     0.538912638    2.767947390   19.169093257    0.051726765    0.037364439    0.187069941
C    -0.576973781    1.933291480   19.316907252    0.012952390    0.130193619    0.411669426
C    -0.790095277    0.899210394   18.417456236    0.077419737   -0.238223469    0.808193028
C     0.100097197    0.689489799   17.365914911    0.180817074   -0.700897076    0.983009407
C     1.209850291    1.520728356   17.226343402    0.218638997   -0.790123285    0.759169667
C     1.430308988    2.547025848   18.125821496    0.153950498   -0.421900742    0.366531031
H    -1.267767400    2.102522822   20.133930641   -0.067208706    0.489656079    0.273389867
H    -1.656623204    0.254396919   18.531846802    0.047444134   -0.166301518    0.981258389
H    -0.070390090   -0.116818163   16.658715071    0.231694215   -0.990485785    1.291759036
H     1.908105727    1.360320463   16.410130034    0.298963420   -1.149457886    0.894636971
H     2.291190294    3.201074302   18.032275991    0.182018853   -0.484987568    0.189159422
H     0.102674106    4.697032568   21.654154396   -0.152417480    1.084005007   -0.636981034
O    -0.980174500    1.293502749   10.997527417    0.115526458    0.859838156    0.362085096
O    -2.865859799    1.977423269   12.013644298   -0.009257007    0.383985309    0.447893648
C    -1.926103640    1.206426890   11.969050347    0.017004627    0.428908634    0.231217439
C    -1.687717930    0.112206091   12.925764704   -0.051726765    0.037364439   -0.187069941
C    -0.571831511   -0.722449819   12.777950708   -0.012952390    0.130193619   -0.411669426
C    -0.358710015   -1.756530905   13.677401724   -0.077419737   -0.238223469   -0.808193028
C    -1.248902490   -1.966251500   14.728943049   -0.180817074   -0.700897076   -0.983009407
C    -2.358655583   -1.135012943   14.868514558   -0.218638997   -0.790123285   -0.759169667
C    -2.579114281   -0.108715452   13.969036464   -0.153950498   -0.421900742   -0.366531031
H     0.118962107   -0.553218477   11.960927319    0.067208706    0.489656079   -0.273389867
H     0.507817912   -2.401344380   13.563011158   -0.047444134   -0.166301518   -0.981258389
H    -1.078415203   -2.772559462   15.436142889   -0.231694215   -0.990485785   -1.291759036
H    -3.056911020   -1.295420836   15.684727926   -0.298963420   -1.149457886   -0.894636971
H    -3.439995586    0.545333003   14.062581969   -0.182018853   -0.484987568   -0.189159422
H    -1.251479399    2.041291269   10.440703564    0.152417480    1.084005007    0.636981034
060
Au, (2.93THz), intensity=0.209
O     1.180633180    1.362238550    0.299241429    0.976795378    0.383533071   -0.064606807
O    -0.705052119    0.678318030    1.315358311    0.834151050   -0.271897522   -0.750217117
C     0.234704040    1.449314409    1.270764360    0.620727543    0.010947545   -0.369644952
C     0.473089750    2.543535208    2.227478717   -0.028901342   -0.009111829   -0.191864906
C     1.588976169    3.378191118    2.079664721   -0.226110602    0.335741178    0.252732794
C     1.802097665    4.412272204    2.979115737   -0.838443815    0.313622432    0.416732248
C     0.911905190    4.621992799    4.030657062   -1.258073776   -0.050027450    0.141219529
C    -0.197847903    3.790754242    4.170228571   -1.059075795   -0.392280348   -0.301035018
C    -0.418306601    2.764456751    3.270750477   -0.449041031   -0.372334344   -0.466744916
H     2.279769787    3.208959776    1.262641332    0.101795055    0.618032181    0.465940417
H     2.668625592    5.057085679    2.864725171   -0.990730924    0.581376577    0.761674849
H     1.082392477    5.428300761    4.737856902   -1.737525222   -0.066553065    0.270512499
H    -0.896103340    3.951162135    4.986441939   -1.384090154   -0.676706783   -0.517510176
H    -1.279187906    2.110408297    3.364295982   -0.286930060   -0.636437443   -0.810649679
H     0.909328281    0.614450030   -0.257582423    1.387779543    0.355906899   -0.221954191
O     1.992176888   -1.293502749   10.399044557   -0.976795378    0.383533071    0.064606807
O     3.877862187   -1.977423269    9.382927675   -0.834151050   -0.271897522    0.750217117
C     2.938106028   -1.206426890    9.427521626   -0.620727543    0.010947545    0.369644952
C     2.699720318   -0.112206091    8.470807270    0.028901342   -0.009111829    0.191864906
C     1.583833899    0.722449819    8.618621265    0.226110602    0.335741178   -0.252732794
C     1.370712403    1.756530905    7.719170249    0.838443815    0.313622432   -0.416732248
C     2.260904877    1.966251500    6.667628924    1.258073776   -0.050027450   -0.141219529
C     3.370657971    1.135012943    6.528057415    1.059075795   -0.392280348    0.301035018
C     3.591116668    0.108715452    7.427535509    0.449041031   -0.372334344    0.466744916
H     0.893040280    0.553218477    9.435644654   -0.101795055    0.618032181   -0.465940417
H     0.504184476    2.401344380    7.833560815    0.990730924    0.581376577   -0.761674849
H     2.090417590    2.772559462    5.960429084    1.737525222   -0.066553065   -0.270512499
H     4.068913407    1.295420836    5.711844047    1.384090154   -0.676706783    0.517510176
H     4.451997974   -0.545333003    7.333990004    0.286930060   -0.636437443    0.810649679
H     2.263481786   -2.041291269   10.955868409   -1.387779543    0.355906899    0.221954191
O    -0.168630792    3.949244048   21.097330544    0.976795378    0.383533071   -0.064606807
O     1.717054507    4.633164568   20.081213662    0.834151050   -0.271897522   -0.750217117
C     0.777298348    3.862168189   20.125807613    0.620727543    0.010947545   -0.369644952
C     0.538912638    2.767947390   19.169093257   -0.028901342   -0.009111829   -0.191864906
C    -0.576973781    1.933291480   19.316907252   -0.226110602    0.335741178    0.252732794
C    -0.790095277    0.899210394   18.417456236   -0.838443815    0.313622432    0.416732248
C     0.100097197    0.689489799   17.365914911   -1.258073776   -0.050027450    0.141219529
C     1.209850291    1.520728356   17.226343402   -1.059075795   -0.392280348   -0.301035018
C     1.430308988    2.547025848   18.125821496   -0.449041031   -0.372334344   -0.466744916
H    -1.267767400    2.102522822   20.133930641    0.101795055    0.618032181    0.465940417
H    -1.656623204    0.254396919   18.531846802   -0.990730924    0.581376577    0.761674849
H    -0.070390090   -0.116818163   16.658715071   -1.737525222   -0.066553065    0.270512499
H     1.908105727    1.360320463   16.410130034   -1.384090154   -0.676706783   -0.517510176
H     2.291190294    3.201074302   18.032275991   -0.286930060   -0.636437443   -0.810649679
H     0.102674106    4.697032568   21.654154396    1.387779543    0.355906899   -0.221954191
O    -0.980174500    1.293502749   10.997527417   -0.976795378    0.383533071    0.064606807
O    -2.865859799    1.977423269   12.013644298   -0.834151050   -0.271897522    0.750217117
C    -1.926103640    1.206426890   11.969050347   -0.620727543    0.010947545    0.369644952
C    -1.687717930    0.112206091   12.925764704    0.028901342   -0.009111829    0.191864906
C    -0.571831511   -0.722449819   12.777950708    0.226110602    0.335741178   -0.252732794
C    -0.358710015   -1.756530905   13.677401724    0.838443815    0.313622432   -0.416732248
C    -1.248902490   -1.966251500   14.728943049    1.258073776   -0.050027450   -0.141219529
C    -2.358655583   -1.135012943   14.868514558    1.059075795   -0.392280348    0.301035018
C    -2.579114281   -0.108715452   13.969036464    0.449041031   -0.372334344    0.466744916
H     0.118962107   -0.553218477   11.960927319   -0.101795055    0.618032181   -0.465940417
H     0.507817912   -2.401344380   13.563011158    0.990730924    0.581376577   -0.761674849
H    -1.078415203   -2.772559462   15.436142889    1.737525222   -0.066553065   -0.270512499
H    -3.056911020   -1.295420836   15.684727926    1.384090154   -0.676706783    0.517510176
H    -3.439995586    0.545333003   14.062581969    0.286930060   -0.636437443    0.810649679
H    -1.251479399    2.041291269   10.440703564   -1.387779543    0.355906899    0.221954191
060
Bg, (2.96THz), IR inactive
O     1.180633180    1.362238550    0.299241429   -0.918741384    0.552249637   -0.519591598
O    -0.705052119    0.678318030    1.315358311   -0.474710333    0.248284007    0.082863957
C     0.234704040    1.449314409    1.270764360   -0.535518039    0.309414453   -0.135269307
C     0.473089750    2.543535208    2.227478717   -0.214373276    0.135519752   -0.019065537
C     1.588976169    3.378191118    2.079664721   -0.319962643    0.226667831   -0.293520812
C     1.802097665    4.412272204    2.979115737   -0.018338295    0.062568271   -0.178992080
C     0.911905190    4.621992799    4.030657062    0.390009492   -0.192814958    0.207074883
C    -0.197847903    3.790754242    4.170228571    0.492115793   -0.282008310    0.479792076
C    -0.418306601    2.764456751    3.270750477    0.190046578   -0.118312610    0.369585937
H     2.279769787    3.208959776    1.262641332   -0.636889082    0.425046457   -0.594342927
H     2.668625592    5.057085679    2.864725171   -0.099990002    0.133271383   -0.392748296
H     1.082392477    5.428300761    4.737856902    0.627539983   -0.321676643    0.294711623
H    -0.896103340    3.951162135    4.986441939    0.809210704   -0.480644556    0.781832264
H    -1.279187906    2.110408297    3.364295982    0.263886620   -0.184622349    0.579378706
H     0.909328281    0.614450030   -0.257582423   -1.099466850    0.646067075   -0.556874380
O     1.992176888   -1.293502749   10.399044557   -0.918741384   -0.552249637   -0.519591598
O     3.877862187   -1.977423269    9.382927675   -0.474710333   -0.248284007    0.082863957
C     2.938106028   -1.206426890    9.427521626   -0.535518039   -0.309414453   -0.135269307
C     2.699720318   -0.112206091    8.470807270   -0.214373276   -0.135519752   -0.019065537
C     1.583833899    0.722449819    8.618621265   -0.319962643   -0.226667831   -0.293520812
C     1.370712403    1.756530905    7.719170249   -0.018338295   -0.062568271   -0.178992080
C     2.260904877    1.966251500    6.667628924    0.390009492    0.192814958    0.207074883
C     3.370657971    1.135012943    6.528057415    0.492115793    0.282008310    0.479792076
C     3.591116668    0.108715452    7.427535509    0.190046578    0.118312610    0.369585937
H     0.893040280    0.553218477    9.435644654   -0.636889082   -0.425046457   -0.594342927
H     0.504184476    2.401344380    7.833560815   -0.099990002   -0.133271383   -0.392748296
H     2.090417590    2.772559462    5.960429084    0.627539983    0.321676643    0.294711623
H     4.068913407    1.295420836    5.711844047    0.809210704    0.480644556    0.781832264
H     4.451997974   -0.545333003    7.333990004    0.263886620    0.184622349    0.579378706
H     2.263481786   -2.041291269   10.955868409   -1.099466850   -0.646067075   -0.556874380
O    -0.168630792    3.949244048   21.097330544    0.918741384   -0.552249637    0.519591598
O     1.717054507    4.633164568   20.081213662    0.474710333   -0.248284007   -0.082863957
C     0.777298348    3.862168189   20.125807613    0.535518039   -0.309414453    0.135269307
C     0.538912638    2.767947390   19.169093257    0.214373276   -0.135519752    0.019065537
C    -0.576973781    1.933291480   19.316907252    0.319962643   -0.226667831    0.293520812
C    -0.790095277    0.899210394   18.417456236    0.018338295   -0.062568271    0.178992080
C     0.100097197    0.689489799   17.365914911   -0.390009492    0.192814958   -0.207074883
C     1.209850291    1.520728356   17.226343402   -0.492115793    0.282008310   -0.479792076
C     1.430308988    2.547025848   18.125821496   -0.190046578    0.118312610   -0.369585937
H    -1.267767400    2.102522822   20.133930641    0.636889082   -0.425046457    0.594342927
H    -1.656623204    0.254396919   18.531846802    0.099990002   -0.133271383    0.392748296
H    -0.070390090   -0.116818163   16.658715071   -0.627539983    0.321676643   -0.294711623
H     1.908105727    1.360320463   16.410130034   -0.809210704    0.480644556   -0.781832264
H     2.291190294    3.201074302   18.032275991   -0.263886620    0.184622349   -0.579378706
H     0.102674106    4.697032568   21.654154396    1.099466850   -0.646067075    0.556874380
O    -0.980174500    1.293502749   10.997527417    0.918741384    0.552249637    0.519591598
O    -2.865859799    1.977423269   12.013644298    0.474710333    0.248284007   -0.082863957
C    -1.926103640    1.206426890   11.969050347    0.535518039    0.309414453    0.135269307
C    -1.687717930    0.112206091   12.925764704    0.214373276    0.135519752    0.019065537
C    -0.571831511   -0.722449819   12.777950708    0.319962643    0.226667831    0.293520812
C    -0.358710015   -1.756530905   13.677401724    0.018338295    0.062568271    0.178992080
C    -1.248902490   -1.966251500   14.728943049   -0.390009492   -0.192814958   -0.207074883
C    -2.358655583   -1.135012943   14.868514558   -0.492115793   -0.282008310   -0.479792076
C    -2.579114281   -0.108715452   13.969036464   -0.190046578   -0.118312610   -0.369585937
H     0.118962107   -0.553218477   11.960927319    0.636889082    0.425046457    0.594342927
H     0.507817912   -2.401344380   13.563011158    0.099990002    0.133271383    0.392748296
H    -1.078415203   -2.772559462   15.436142889   -0.627539983   -0.321676643   -0.294711623
H    -3.056911020   -1.295420836   15.684727926   -0.809210704   -0.480644556   -0.781832264
H    -3.439995586    0.545333003   14.062581969   -0.263886620   -0.184622349   -0.579378706
H    -1.251479399    2.041291269   10.440703564    1.099466850    0.646067075    0.556874380
060
Ag, (3.01THz), IR inactive
O     1.180633180    1.362238550    0.299241429   -0.795366177    0.538477503   -0.685861857
O    -0.705052119    0.678318030    1.315358311   -0.334052740    0.142515748   -0.112338908
C     0.234704040    1.449314409    1.270764360   -0.419004952    0.234731280   -0.302743126
C     0.473089750    2.543535208    2.227478717   -0.136446004    0.037776969   -0.151699113
C     1.588976169    3.378191118    2.079664721   -0.267751944    0.168868597   -0.395729688
C     1.802097665    4.412272204    2.979115737   -0.002572864   -0.017257396   -0.248325523
C     0.911905190    4.621992799    4.030657062    0.394703185   -0.334350513    0.140562493
C    -0.197847903    3.790754242    4.170228571    0.522453107   -0.463030353    0.382986067
C    -0.418306601    2.764456751    3.270750477    0.256583618   -0.277538922    0.240115266
H     2.279769787    3.208959776    1.262641332   -0.575877592    0.415167071   -0.698941746
H     2.668625592    5.057085679    2.864725171   -0.104091077    0.084450840   -0.438558840
H     1.082392477    5.428300761    4.737856902    0.603791223   -0.480438514    0.253850971
H    -0.896103340    3.951162135    4.986441939    0.831029133   -0.709796054    0.687112411
H    -1.279187906    2.110408297    3.364295982    0.350669899   -0.374009219    0.426122711
H     0.909328281    0.614450030   -0.257582423   -0.950132885    0.641532295   -0.747401014
O     1.992176888   -1.293502749   10.399044557    0.795366177    0.538477503    0.685861857
O     3.877862187   -1.977423269    9.382927675    0.334052740    0.142515748    0.112338908
C     2.938106028   -1.206426890    9.427521626    0.419004952    0.234731280    0.302743126
C     2.699720318   -0.112206091    8.470807270    0.136446004    0.037776969    0.151699113
C     1.583833899    0.722449819    8.618621265    0.267751944    0.168868597    0.395729688
C     1.370712403    1.756530905    7.719170249    0.002572864   -0.017257396    0.248325523
C     2.260904877    1.966251500    6.667628924   -0.394703185   -0.334350513   -0.140562493
C     3.370657971    1.135012943    6.528057415   -0.522453107   -0.463030353   -0.382986067
C     3.591116668    0.108715452    7.427535509   -0.256583618   -0.277538922   -0.240115266
H     0.893040280    0.553218477    9.435644654    0.575877592    0.415167071    0.698941746
H     0.504184476    2.401344380    7.833560815    0.104091077    0.084450840    0.438558840
H     2.090417590    2.772559462    5.960429084   -0.603791223   -0.480438514   -0.253850971
H     4.068913407    1.295420836    5.711844047   -0.831029133   -0.709796054   -0.687112411
H     4.451997974   -0.545333003    7.333990004   -0.350669899   -0.374009219   -0.426122711
H     2.263481786   -2.041291269   10.955868409    0.950132885    0.641532295    0.747401014
O    -0.168630792    3.949244048   21.097330544    0.795366177   -0.538477503    0.685861857
O     1.717054507    4.633164568   20.081213662    0.334052740   -0.142515748    0.112338908
C     0.777298348    3.862168189   20.125807613    0.419004952   -0.234731280    0.302743126
C     0.538912638    2.767947390   19.169093257    0.136446004   -0.037776969    0.151699113
C    -0.576973781    1.933291480   19.316907252    0.267751944   -0.168868597    0.395729688
C    -0.790095277    0.899210394   18.417456236    0.002572864    0.017257396    0.248325523
C     0.100097197    0.689489799   17.365914911   -0.394703185    0.334350513   -0.140562493
C     1.209850291    1.520728356   17.226343402   -0.522453107    0.463030353   -0.382986067
C     1.430308988    2.547025848   18.125821496   -0.256583618    0.277538922   -0.240115266
H    -1.267767400    2.102522822   20.133930641    0.575877592   -0.415167071    0.698941746
H    -1.656623204    0.254396919   18.531846802    0.104091077   -0.084450840    0.438558840
H    -0.070390090   -0.116818163   16.658715071   -0.603791223    0.480438514   -0.253850971
H     1.908105727    1.360320463   16.410130034   -0.831029133    0.709796054   -0.687112411
H     2.291190294    3.201074302   18.032275991   -0.350669899    0.374009219   -0.426122711
H     0.102674106    4.697032568   21.654154396    0.950132885   -0.641532295    0.747401014
O    -0.980174500    1.293502749   10.997527417   -0.795366177   -0.538477503   -0.685861857
O    -2.865859799    1.977423269   12.013644298   -0.334052740   -0.142515748   -0.112338908
C    -1.926103640    1.206426890   11.969050347   -0.419004952   -0.234731280   -0.302743126
C    -1.687717930    0.112206091   12.925764704   -0.136446004   -0.037776969   -0.151699113
C    -0.571831511   -0.722449819   12.777950708   -0.267751944   -0.168868597   -0.395729688
C    -0.358710015   -1.756530905   13.677401724   -0.002572864    0.017257396   -0.248325523
C    -1.248902490   -1.966251500   14.728943049    0.394703185    0.334350513    0.140562493
C    -2.358655583   -1.135012943   14.868514558    0.522453107    0.463030353    0.382986067
C    -2.579114281   -0.108715452   13.969036464    0.256583618    0.277538922    0.240115266
H     0.118962107   -0.553218477   11.960927319   -0.575877592   -0.415167071   -0.698941746
H     0.507817912   -2.401344380   13.563011158   -0.104091077   -0.084450840   -0.438558840
H    -1.078415203   -2.772559462   15.436142889    0.603791223    0.480438514    0.253850971
H    -3.056911020   -1.295420836   15.684727926    0.831029133    0.709796054    0.687112411
H    -3.439995586    0.545333003   14.062581969    0.350669899    0.374009219    0.426122711
H    -1.251479399    2.041291269   10.440703564   -0.950132885   -0.641532295   -0.747401014
060
Bu, (3.08THz), intensity=1.000
O     1.180633180    1.362238550    0.299241429    0.445893415    0.708982314   -0.449429632
O    -0.705052119    0.678318030    1.315358311    0.411940357    0.026638820   -0.956536630
C     0.234704040    1.449314409    1.270764360    0.309311808    0.177005479   -0.532584909
C     0.473089750    2.543535208    2.227478717    0.033107095   -0.182475215   -0.067327803
C     1.588976169    3.378191118    2.079664721   -0.065255306    0.035038679    0.403904179
C     1.802097665    4.412272204    2.979115737   -0.325680326   -0.304470672    0.842080501
C     0.911905190    4.621992799    4.030657062   -0.489736930   -0.861483832    0.814687390
C    -0.197847903    3.790754242    4.170228571   -0.390799754   -1.074750244    0.345581640
C    -0.418306601    2.764456751    3.270750477   -0.131464976   -0.736260754   -0.090405304
H     2.279769787    3.208959776    1.262641332    0.063095788    0.467703469    0.422577165
H     2.668625592    5.057085679    2.864725171   -0.401645009   -0.135724178    1.206683761
H     1.082392477    5.428300761    4.737856902   -0.693550104   -1.128015347    1.156881822
H    -0.896103340    3.951162135    4.986441939   -0.517807349   -1.508130806    0.322466442
H    -1.279187906    2.110408297    3.364295982   -0.051534664   -0.895651556   -0.457979525
H     0.909328281    0.614450030   -0.257582423    0.622236986    0.899579467   -0.780884776
O     1.992176888   -1.293502749   10.399044557    0.445893415   -0.708982314   -0.449429632
O     3.877862187   -1.977423269    9.382927675    0.411940357   -0.026638820   -0.956536630
C     2.938106028   -1.206426890    9.427521626    0.309311808   -0.177005479   -0.532584909
C     2.699720318   -0.112206091    8.470807270    0.033107095    0.182475215   -0.067327803
C     1.583833899    0.722449819    8.618621265   -0.065255306   -0.035038679    0.403904179
C     1.370712403    1.756530905    7.719170249   -0.325680326    0.304470672    0.842080501
C     2.260904877    1.966251500    6.667628924   -0.489736930    0.861483832    0.814687390
C     3.370657971    1.135012943    6.528057415   -0.390799754    1.074750244    0.345581640
C     3.591116668    0.108715452    7.427535509   -0.131464976    0.736260754   -0.090405304
H     0.893040280    0.553218477    9.435644654    0.063095788   -0.467703469    0.422577165
H     0.504184476    2.401344380    7.833560815   -0.401645009    0.135724178    1.206683761
H     2.090417590    2.772559462    5.960429084   -0.693550104    1.128015347    1.156881822
H     4.068913407    1.295420836    5.711844047   -0.517807349    1.508130806    0.322466442
H     4.451997974   -0.545333003    7.333990004   -0.051534664    0.895651556   -0.457979525
H     2.263481786   -2.041291269   10.955868409    0.622236986   -0.899579467   -0.780884776
O    -0.168630792    3.949244048   21.097330544    0.445893415    0.708982314   -0.449429632
O     1.717054507    4.633164568   20.081213662    0.411940357    0.026638820   -0.956536630
C     0.777298348    3.862168189   20.125807613    0.309311808    0.177005479   -0.532584909
C     0.538912638    2.767947390   19.169093257    0.033107095   -0.182475215   -0.067327803
C    -0.576973781    1.933291480   19.316907252   -0.065255306    0.035038679    0.403904179
C    -0.790095277    0.899210394   18.417456236   -0.325680326   -0.304470672    0.842080501
C     0.100097197    0.689489799   17.365914911   -0.489736930   -0.861483832    0.814687390
C     1.209850291    1.520728356   17.226343402   -0.390799754   -1.074750244    0.345581640
C     1.430308988    2.547025848   18.125821496   -0.131464976   -0.736260754   -0.090405304
H    -1.267767400    2.102522822   20.133930641    0.063095788    0.467703469    0.422577165
H    -1.656623204    0.254396919   18.531846802   -0.401645009   -0.135724178    1.206683761
H    -0.070390090   -0.116818163   16.658715071   -0.693550104   -1.128015347    1.156881822
H     1.908105727    1.360320463   16.410130034   -0.517807349   -1.508130806    0.322466442
H     2.291190294    3.201074302   18.032275991   -0.051534664   -0.895651556   -0.457979525
H     0.102674106    4.697032568   21.654154396    0.622236986    0.899579467   -0.780884776
O    -0.980174500    1.293502749   10.997527417    0.445893415   -0.708982314   -0.449429632
O    -2.865859799    1.977423269   12.013644298    0.411940357   -0.026638820   -0.956536630
C    -1.926103640    1.206426890   11.969050347    0.309311808   -0.177005479   -0.532584909
C    -1.687717930    0.112206091   12.925764704    0.033107095    0.182475215   -0.067327803
C    -0.571831511   -0.722449819   12.777950708   -0.065255306   -0.035038679    0.403904179
C    -0.358710015   -1.756530905   13.677401724   -0.325680326    0.304470672    0.842080501
C    -1.248902490   -1.966251500   14.728943049   -0.489736930    0.861483832    0.814687390
C    -2.358655583   -1.135012943   14.868514558   -0.390799754    1.074750244    0.345581640
C    -2.579114281   -0.108715452   13.969036464   -0.131464976    0.736260754   -0.090405304
H     0.118962107   -0.553218477   11.960927319    0.063095788   -0.467703469    0.422577165
H     0.507817912   -2.401344380   13.563011158   -0.401645009    0.135724178    1.206683761
H    -1.078415203   -2.772559462   15.436142889   -0.693550104    1.128015347    1.156881822
H    -3.056911020   -1.295420836   15.684727926   -0.517807349    1.508130806    0.322466442
H    -3.439995586    0.545333003   14.062581969   -0.051534664    0.895651556   -0.457979525
H    -1.251479399    2.041291269   10.440703564    0.622236986   -0.899579467   -0.780884776
060
Bg, (3.78THz), IR inactive
O     1.180633180    1.362238550    0.299241429   -0.549616121   -0.677700416   -0.021053453
O    -0.705052119    0.678318030    1.315358311   -0.568280633   -0.328168099    0.173663399
C     0.234704040    1.449314409    1.270764360   -0.470805906   -0.455297248    0.034286140
C     0.473089750    2.543535208    2.227478717   -0.261649144   -0.388888518   -0.089516742
C     1.588976169    3.378191118    2.079664721   -0.163036955   -0.549512335   -0.247060934
C     1.802097665    4.412272204    2.979115737    0.034299288   -0.485644117   -0.363240527
C     0.911905190    4.621992799    4.030657062    0.134663204   -0.262356243   -0.323737823
C    -0.197847903    3.790754242    4.170228571    0.035924517   -0.103372515   -0.166945452
C    -0.418306601    2.764456751    3.270750477   -0.160398293   -0.166286407   -0.051038878
H     2.279769787    3.208959776    1.262641332   -0.241837013   -0.722888981   -0.277075693
H     2.668625592    5.057085679    2.864725171    0.110468473   -0.610334564   -0.485251258
H     1.082392477    5.428300761    4.737856902    0.288940314   -0.212520157   -0.414616401
H    -0.896103340    3.951162135    4.986441939    0.113517381    0.070894917   -0.135557808
H    -1.279187906    2.110408297    3.364295982   -0.239219365   -0.044456964    0.071498299
H     0.909328281    0.614450030   -0.257582423   -0.685819352   -0.699059879    0.070875920
O     1.992176888   -1.293502749   10.399044557   -0.549616121    0.677700416   -0.021053453
O     3.877862187   -1.977423269    9.382927675   -0.568280633    0.328168099    0.173663399
C     2.938106028   -1.206426890    9.427521626   -0.470805906    0.455297248    0.034286140
C     2.699720318   -0.112206091    8.470807270   -0.261649144    0.388888518   -0.089516742
C     1.583833899    0.722449819    8.618621265   -0.163036955    0.549512335   -0.247060934
C     1.370712403    1.756530905    7.719170249    0.034299288    0.485644117   -0.363240527
C     2.260904877    1.966251500    6.667628924    0.134663204    0.262356243   -0.323737823
C     3.370657971    1.135012943    6.528057415    0.035924517    0.103372515   -0.166945452
C     3.591116668    0.108715452    7.427535509   -0.160398293    0.166286407   -0.051038878
H     0.893040280    0.553218477    9.435644654   -0.241837013    0.722888981   -0.277075693
H     0.504184476    2.401344380    7.833560815    0.110468473    0.610334564   -0.485251258
H     2.090417590    2.772559462    5.960429084    0.288940314    0.212520157   -0.414616401
H     4.068913407    1.295420836    5.711844047    0.113517381   -0.070894917   -0.135557808
H     4.451997974   -0.545333003    7.333990004   -0.239219365    0.044456964    0.071498299
H     2.263481786   -2.041291269   10.955868409   -0.685819352    0.699059879    0.070875920
O    -0.168630792    3.949244048   21.097330544    0.549616121    0.677700416    0.021053453
O     1.717054507    4.633164568   20.081213662    0.568280633    0.328168099   -0.173663399
C     0.777298348    3.862168189   20.125807613    0.470805906    0.455297248   -0.034286140
C     0.538912638    2.767947390   19.169093257    0.261649144    0.388888518    0.089516742
C    -0.576973781    1.933291480   19.316907252    0.163036955    0.549512335    0.247060934
C    -0.790095277    0.899210394   18.417456236   -0.034299288    0.485644117    0.363240527
C     0.100097197    0.689489799   17.365914911   -0.134663204    0.262356243    0.323737823
C     1.209850291    1.520728356   17.226343402   -0.035924517    0.103372515    0.166945452
C     1.430308988    2.547025848   18.125821496    0.160398293    0.166286407    0.051038878
H    -1.267767400    2.102522822   20.133930641    0.241837013    0.722888981    0.277075693
H    -1.656623204    0.254396919   18.531846802   -0.110468473    0.610334564    0.485251258
H    -0.070390090   -0.116818163   16.658715071   -0.288940314    0.212520157    0.414616401
H     1.908105727    1.360320463   16.410130034   -0.113517381   -0.070894917    0.135557808
H     2.291190294    3.201074302   18.032275991    0.239219365    0.044456964   -0.071498299
H     0.102674106    4.697032568   21.654154396    0.685819352    0.699059879   -0.070875920
O    -0.980174500    1.293502749   10.997527417    0.549616121   -0.677700416    0.021053453
O    -2.865859799    1.977423269   12.013644298    0.568280633   -0.328168099   -0.173663399
C    -1.926103640    1.206426890   11.969050347    0.470805906   -0.455297248   -0.034286140
C    -1.687717930    0.112206091   12.925764704    0.261649144   -0.388888518    0.089516742
C    -0.571831511   -0.722449819   12.777950708    0.163036955   -0.549512335    0.247060934
C    -0.358710015   -1.756530905   13.677401724   -0.034299288   -0.485644117    0.363240527
C    -1.248902490   -1.966251500   14.728943049   -0.134663204   -0.262356243    0.323737823
C    -2.358655583   -1.135012943   14.868514558   -0.035924517   -0.103372515    0.166945452
C    -2.579114281   -0.108715452   13.969036464    0.160398293   -0.166286407    0.051038878
H     0.118962107   -0.553218477   11.960927319    0.241837013   -0.722888981    0.277075693
H     0.507817912   -2.401344380   13.563011158   -0.110468473   -0.610334564    0.485251258
H    -1.078415203   -2.772559462   15.436142889   -0.288940314   -0.212520157    0.414616401
H    -3.056911020   -1.295420836   15.684727926   -0.113517381    0.070894917    0.135557808
H    -3.439995586    0.545333003   14.062581969    0.239219365   -0.044456964   -0.071498299
H    -1.251479399    2.041291269   10.440703564    0.685819352   -0.699059879   -0.070875920
060
Ag, (3.78THz), IR inactive
O     1.180633180    1.362238550    0.299241429   -0.588078045   -0.704897226   -0.005148487
O    -0.705052119    0.678318030    1.315358311   -0.623260209   -0.295230215    0.199061917
C     0.234704040    1.449314409    1.270764360   -0.508315072   -0.444365890    0.047776519
C     0.473089750    2.543535208    2.227478717   -0.275429520   -0.366848759   -0.094040448
C     1.588976169    3.378191118    2.079664721   -0.157800426   -0.555239208   -0.264375799
C     1.802097665    4.412272204    2.979115737    0.061965335   -0.480678979   -0.397591725
C     0.911905190    4.621992799    4.030657062    0.165970062   -0.219142854   -0.362493196
C    -0.197847903    3.790754242    4.170228571    0.048300311   -0.032673218   -0.192960429
C    -0.418306601    2.764456751    3.270750477   -0.170276087   -0.106113775   -0.060154808
H     2.279769787    3.208959776    1.262641332   -0.239571307   -0.758314306   -0.290864679
H     2.668625592    5.057085679    2.864725171    0.152826237   -0.626924494   -0.529479754
H     1.082392477    5.428300761    4.737856902    0.337730095   -0.160966062   -0.466651223
H    -0.896103340    3.951162135    4.986441939    0.128665443    0.171447329   -0.164959043
H    -1.279187906    2.110408297    3.364295982   -0.263975797    0.036783717    0.072419503
H     0.909328281    0.614450030   -0.257582423   -0.740598830   -0.729726221    0.098981480
O     1.992176888   -1.293502749   10.399044557    0.588078045   -0.704897226    0.005148487
O     3.877862187   -1.977423269    9.382927675    0.623260209   -0.295230215   -0.199061917
C     2.938106028   -1.206426890    9.427521626    0.508315072   -0.444365890   -0.047776519
C     2.699720318   -0.112206091    8.470807270    0.275429520   -0.366848759    0.094040448
C     1.583833899    0.722449819    8.618621265    0.157800426   -0.555239208    0.264375799
C     1.370712403    1.756530905    7.719170249   -0.061965335   -0.480678979    0.397591725
C     2.260904877    1.966251500    6.667628924   -0.165970062   -0.219142854    0.362493196
C     3.370657971    1.135012943    6.528057415   -0.048300311   -0.032673218    0.192960429
C     3.591116668    0.108715452    7.427535509    0.170276087   -0.106113775    0.060154808
H     0.893040280    0.553218477    9.435644654    0.239571307   -0.758314306    0.290864679
H     0.504184476    2.401344380    7.833560815   -0.152826237   -0.626924494    0.529479754
H     2.090417590    2.772559462    5.960429084   -0.337730095   -0.160966062    0.466651223
H     4.068913407    1.295420836    5.711844047   -0.128665443    0.171447329    0.164959043
H     4.451997974   -0.545333003    7.333990004    0.263975797    0.036783717   -0.072419503
H     2.263481786   -2.041291269   10.955868409    0.740598830   -0.729726221   -0.098981480
O    -0.168630792    3.949244048   21.097330544    0.588078045    0.704897226    0.005148487
O     1.717054507    4.633164568   20.081213662    0.623260209    0.295230215   -0.199061917
C     0.777298348    3.862168189   20.125807613    0.508315072    0.444365890   -0.047776519
C     0.538912638    2.767947390   19.169093257    0.275429520    0.366848759    0.094040448
C    -0.576973781    1.933291480   19.316907252    0.157800426    0.555239208    0.264375799
C    -0.790095277    0.899210394   18.417456236   -0.061965335    0.480678979    0.397591725
C     0.100097197    0.689489799   17.365914911   -0.165970062    0.219142854    0.362493196
C     1.209850291    1.520728356   17.226343402   -0.048300311    0.032673218    0.192960429
C     1.430308988    2.547025848   18.125821496    0.170276087    0.106113775    0.060154808
H    -1.267767400    2.102522822   20.133930641    0.239571307    0.758314306    0.290864679
H    -1.656623204    0.254396919   18.531846802   -0.152826237    0.626924494    0.529479754
H    -0.070390090   -0.116818163   16.658715071   -0.337730095    0.160966062    0.466651223
H     1.908105727    1.360320463   16.410130034   -0.128665443   -0.171447329    0.164959043
H     2.291190294    3.201074302   18.032275991    0.263975797   -0.036783717   -0.072419503
H     0.102674106    4.697032568   21.654154396    0.740598830    0.729726221   -0.098981480
O    -0.980174500    1.293502749   10.997527417   -0.588078045    0.704897226   -0.005148487
O    -2.865859799    1.977423269   12.013644298   -0.623260209    0.295230215    0.199061917
C    -1.926103640    1.206426890   11.969050347   -0.508315072    0.444365890    0.047776519
C    -1.687717930    0.112206091   12.925764704   -0.275429520    0.366848759   -0.094040448
C    -0.571831511   -0.722449819   12.777950708   -0.157800426    0.555239208   -0.264375799
C    -0.358710015   -1.756530905   13.677401724    0.061965335    0.480678979   -0.397591725
C    -1.248902490   -1.966251500   14.728943049    0.165970062    0.219142854   -0.362493196
C    -2.358655583   -1.135012943   14.868514558    0.048300311    0.032673218   -0.192960429
C    -2.579114281   -0.108715452   13.969036464   -0.170276087    0.106113775   -0.060154808
H     0.118962107   -0.553218477   11.960927319   -0.239571307    0.758314306   -0.290864679
H     0.507817912   -2.401344380   13.563011158    0.152826237    0.626924494   -0.529479754
H    -1.078415203   -2.772559462   15.436142889    0.337730095    0.160966062   -0.466651223
H    -3.056911020   -1.295420836   15.684727926    0.128665443   -0.171447329   -0.164959043
H    -3.439995586    0.545333003   14.062581969   -0.263975797   -0.036783717    0.072419503
H    -1.251479399    2.041291269   10.440703564   -0.740598830    0.729726221    0.098981480
060
Bu, (4.15THz), intensity=0.733
O     1.180633180    1.362238550    0.299241429    0.010895089   -0.107176574    0.093224987
O    -0.705052119    0.678318030    1.315358311   -0.550592126    0.604801456   -0.454530813
C     0.234704040    1.449314409    1.270764360   -0.221438002    0.221364105   -0.155551019
C     0.473089750    2.543535208    2.227478717   -0.035789865    0.064118515   -0.025398046
C     1.588976169    3.378191118    2.079664721    0.348011981   -0.385305375    0.324736475
C     1.802097665    4.412272204    2.979115737    0.524748557   -0.528620333    0.444480869
C     0.911905190    4.621992799    4.030657062    0.320734111   -0.227943115    0.218086056
C    -0.197847903    3.790754242    4.170228571   -0.059388612    0.219470949   -0.130190440
C    -0.418306601    2.764456751    3.270750477   -0.232918984    0.365802867   -0.251424333
H     2.279769787    3.208959776    1.262641332    0.503944345   -0.618568992    0.500023728
H     2.668625592    5.057085679    2.864725171    0.821309024   -0.877639274    0.716169626
H     1.082392477    5.428300761    4.737856902    0.456922300   -0.341825110    0.312605254
H    -0.896103340    3.951162135    4.986441939   -0.218723498    0.455851250   -0.308016131
H    -1.279187906    2.110408297    3.364295982   -0.527521891    0.713792865   -0.522150844
H     0.909328281    0.614450030   -0.257582423   -0.142744317    0.038819782   -0.024828720
O     1.992176888   -1.293502749   10.399044557    0.010895089    0.107176574    0.093224987
O     3.877862187   -1.977423269    9.382927675   -0.550592126   -0.604801456   -0.454530813
C     2.938106028   -1.206426890    9.427521626   -0.221438002   -0.221364105   -0.155551019
C     2.699720318   -0.112206091    8.470807270   -0.035789865   -0.064118515   -0.025398046
C     1.583833899    0.722449819    8.618621265    0.348011981    0.385305375    0.324736475
C     1.370712403    1.756530905    7.719170249    0.524748557    0.528620333    0.444480869
C     2.260904877    1.966251500    6.667628924    0.320734111    0.227943115    0.218086056
C     3.370657971    1.135012943    6.528057415   -0.059388612   -0.219470949   -0.130190440
C     3.591116668    0.108715452    7.427535509   -0.232918984   -0.365802867   -0.251424333
H     0.893040280    0.553218477    9.435644654    0.503944345    0.618568992    0.500023728
H     0.504184476    2.401344380    7.833560815    0.821309024    0.877639274    0.716169626
H     2.090417590    2.772559462    5.960429084    0.456922300    0.341825110    0.312605254
H     4.068913407    1.295420836    5.711844047   -0.218723498   -0.455851250   -0.308016131
H     4.451997974   -0.545333003    7.333990004   -0.527521891   -0.713792865   -0.522150844
H     2.263481786   -2.041291269   10.955868409   -0.142744317   -0.038819782   -0.024828720
O    -0.168630792    3.949244048   21.097330544    0.010895089   -0.107176574    0.093224987
O     1.717054507    4.633164568   20.081213662   -0.550592126    0.604801456   -0.454530813
C     0.777298348    3.862168189   20.125807613   -0.221438002    0.221364105   -0.155551019
C     0.538912638    2.767947390   19.169093257   -0.035789865    0.064118515   -0.025398046
C    -0.576973781    1.933291480   19.316907252    0.348011981   -0.385305375    0.324736475
C    -0.790095277    0.899210394   18.417456236    0.524748557   -0.528620333    0.444480869
C     0.100097197    0.689489799   17.365914911    0.320734111   -0.227943115    0.218086056
C     1.209850291    1.520728356   17.226343402   -0.059388612    0.219470949   -0.130190440
C     1.430308988    2.547025848   18.125821496   -0.232918984    0.365802867   -0.251424333
H    -1.267767400    2.102522822   20.133930641    0.503944345   -0.618568992    0.500023728
H    -1.656623204    0.254396919   18.531846802    0.821309024   -0.877639274    0.716169626
H    -0.070390090   -0.116818163   16.658715071    0.456922300   -0.341825110    0.312605254
H     1.908105727    1.360320463   16.410130034   -0.218723498    0.455851250   -0.308016131
H     2.291190294    3.201074302   18.032275991   -0.527521891    0.713792865   -0.522150844
H     0.102674106    4.697032568   21.654154396   -0.142744317    0.038819782   -0.024828720
O    -0.980174500    1.293502749   10.997527417    0.010895089    0.107176574    0.093224987
O    -2.865859799    1.977423269   12.013644298   -0.550592126   -0.604801456   -0.454530813
C    -1.926103640    1.206426890   11.969050347   -0.221438002   -0.221364105   -0.155551019
C    -1.687717930    0.112206091   12.925764704   -0.035789865   -0.064118515   -0.025398046
C    -0.571831511   -0.722449819   12.777950708    0.348011981    0.385305375    0.324736475
C    -0.358710015   -1.756530905   13.677401724    0.524748557    0.528620333    0.444480869
C    -1.248902490   -1.966251500   14.728943049    0.320734111    0.227943115    0.218086056
C    -2.358655583   -1.135012943   14.868514558   -0.059388612   -0.219470949   -0.130190440
C    -2.579114281   -0.108715452   13.969036464   -0.232918984   -0.365802867   -0.251424333
H     0.118962107   -0.553218477   11.960927319    0.503944345    0.618568992    0.500023728
H     0.507817912   -2.401344380   13.563011158    0.821309024    0.877639274    0.716169626
H    -1.078415203   -2.772559462   15.436142889    0.456922300    0.341825110    0.312605254
H    -3.056911020   -1.295420836   15.684727926   -0.218723498   -0.455851250   -0.308016131
H    -3.439995586    0.545333003   14.062581969   -0.527521891   -0.713792865   -0.522150844
H    -1.251479399    2.041291269   10.440703564   -0.142744317   -0.038819782   -0.024828720
060
Au, (4.17THz), intensity=0.460
O     1.180633180    1.362238550    0.299241429    0.111150340   -0.024618041    0.004722938
O    -0.705052119    0.678318030    1.315358311   -0.453793047    0.586080837   -0.615445303
C     0.234704040    1.449314409    1.270764360   -0.144923138    0.230723909   -0.260183546
C     0.473089750    2.543535208    2.227478717   -0.010466678    0.033660486   -0.073565720
C     1.588976169    3.378191118    2.079664721    0.353562418   -0.377820116    0.339604421
C     1.802097665    4.412272204    2.979115737    0.482023694   -0.558872904    0.512451216
C     0.911905190    4.621992799    4.030657062    0.249128828   -0.333737427    0.276874972
C    -0.197847903    3.790754242    4.170228571   -0.111134353    0.076302191   -0.134145274
C    -0.418306601    2.764456751    3.270750477   -0.236603497    0.260170896   -0.308272143
H     2.279769787    3.208959776    1.262641332    0.532107493   -0.552413408    0.521711631
H     2.668625592    5.057085679    2.864725171    0.763313045   -0.878446485    0.832933039
H     1.082392477    5.428300761    4.737856902    0.347546258   -0.477210559    0.412891467
H    -0.896103340    3.951162135    4.986441939   -0.292820811    0.253845653   -0.319364737
H    -1.279187906    2.110408297    3.364295982   -0.515222744    0.579882071   -0.628104263
H     0.909328281    0.614450030   -0.257582423   -0.009635157    0.140897015   -0.154235340
O     1.992176888   -1.293502749   10.399044557   -0.111150340   -0.024618041   -0.004722938
O     3.877862187   -1.977423269    9.382927675    0.453793047    0.586080837    0.615445303
C     2.938106028   -1.206426890    9.427521626    0.144923138    0.230723909    0.260183546
C     2.699720318   -0.112206091    8.470807270    0.010466678    0.033660486    0.073565720
C     1.583833899    0.722449819    8.618621265   -0.353562418   -0.377820116   -0.339604421
C     1.370712403    1.756530905    7.719170249   -0.482023694   -0.558872904   -0.512451216
C     2.260904877    1.966251500    6.667628924   -0.249128828   -0.333737427   -0.276874972
C     3.370657971    1.135012943    6.528057415    0.111134353    0.076302191    0.134145274
C     3.591116668    0.108715452    7.427535509    0.236603497    0.260170896    0.308272143
H     0.893040280    0.553218477    9.435644654   -0.532107493   -0.552413408   -0.521711631
H     0.504184476    2.401344380    7.833560815   -0.763313045   -0.878446485   -0.832933039
H     2.090417590    2.772559462    5.960429084   -0.347546258   -0.477210559   -0.412891467
H     4.068913407    1.295420836    5.711844047    0.292820811    0.253845653    0.319364737
H     4.451997974   -0.545333003    7.333990004    0.515222744    0.579882071    0.628104263
H     2.263481786   -2.041291269   10.955868409    0.009635157    0.140897015    0.154235340
O    -0.168630792    3.949244048   21.097330544    0.111150340   -0.024618041    0.004722938
O     1.717054507    4.633164568   20.081213662   -0.453793047    0.586080837   -0.615445303
C     0.777298348    3.862168189   20.125807613   -0.144923138    0.230723909   -0.260183546
C     0.538912638    2.767947390   19.169093257   -0.010466678    0.033660486   -0.073565720
C    -0.576973781    1.933291480   19.316907252    0.353562418   -0.377820116    0.339604421
C    -0.790095277    0.899210394   18.417456236    0.482023694   -0.558872904    0.512451216
C     0.100097197    0.689489799   17.365914911    0.249128828   -0.333737427    0.276874972
C     1.209850291    1.520728356   17.226343402   -0.111134353    0.076302191   -0.134145274
C     1.430308988    2.547025848   18.125821496   -0.236603497    0.260170896   -0.308272143
H    -1.267767400    2.102522822   20.133930641    0.532107493   -0.552413408    0.521711631
H    -1.656623204    0.254396919   18.531846802    0.763313045   -0.878446485    0.832933039
H    -0.070390090   -0.116818163   16.658715071    0.347546258   -0.477210559    0.412891467
H     1.908105727    1.360320463   16.410130034   -0.292820811    0.253845653   -0.319364737
H     2.291190294    3.201074302   18.032275991   -0.515222744    0.579882071   -0.628104263
H     0.102674106    4.697032568   21.654154396   -0.009635157    0.140897015   -0.154235340
O    -0.980174500    1.293502749   10.997527417   -0.111150340   -0.024618041   -0.004722938
O    -2.865859799    1.977423269   12.013644298    0.453793047    0.586080837    0.615445303
C    -1.926103640    1.206426890   11.969050347    0.144923138    0.230723909    0.260183546
C    -1.687717930    0.112206091   12.925764704    0.010466678    0.033660486    0.073565720
C    -0.571831511   -0.722449819   12.777950708   -0.353562418   -0.377820116   -0.339604421
C    -0.358710015   -1.756530905   13.677401724   -0.482023694   -0.558872904   -0.512451216
C    -1.248902490   -1.966251500   14.728943049   -0.249128828   -0.333737427   -0.276874972
C    -2.358655583   -1.135012943   14.868514558    0.111134353    0.076302191    0.134145274
C    -2.579114281   -0.108715452   13.969036464    0.236603497    0.260170896    0.308272143
H     0.118962107   -0.553218477   11.960927319   -0.532107493   -0.552413408   -0.521711631
H     0.507817912   -2.401344380   13.563011158   -0.763313045   -0.878446485   -0.832933039
H    -1.078415203   -2.772559462   15.436142889   -0.347546258   -0.477210559   -0.412891467
H    -3.056911020   -1.295420836   15.684727926    0.292820811    0.253845653    0.319364737
H    -3.439995586    0.545333003   14.062581969    0.515222744    0.579882071    0.628104263
H    -1.251479399    2.041291269   10.440703564    0.009635157    0.140897015    0.154235340
060
Ag, (4.31THz), IR inactive
O     1.180633180    1.362238550    0.299241429   -0.443709392    0.140942769    0.331538600
O    -0.705052119    0.678318030    1.315358311   -0.472305098    0.444158066    0.478074524
C     0.234704040    1.449314409    1.270764360   -0.354367432    0.295898803    0.402728068
C     0.473089750    2.543535208    2.227478717   -0.107582680    0.264268753    0.378772468
C     1.588976169    3.378191118    2.079664721    0.012344118    0.087636688    0.289738606
C     1.802097665    4.412272204    2.979115737    0.245200866    0.059631348    0.268017858
C     0.911905190    4.621992799    4.030657062    0.360084937    0.206304695    0.334324019
C    -0.197847903    3.790754242    4.170228571    0.240054619    0.381920038    0.422873616
C    -0.418306601    2.764456751    3.270750477    0.008421450    0.411080603    0.445105269
H     2.279769787    3.208959776    1.262641332   -0.077907589   -0.026188845    0.238320834
H     2.668625592    5.057085679    2.864725171    0.337834997   -0.077527694    0.198898418
H     1.082392477    5.428300761    4.737856902    0.542107977    0.183825643    0.317063102
H    -0.896103340    3.951162135    4.986441939    0.328853836    0.496915584    0.474904551
H    -1.279187906    2.110408297    3.364295982   -0.087289642    0.547221729    0.513845608
H     0.909328281    0.614450030   -0.257582423   -0.604811038    0.180226340    0.356120371
O     1.992176888   -1.293502749   10.399044557    0.443709392    0.140942769   -0.331538600
O     3.877862187   -1.977423269    9.382927675    0.472305098    0.444158066   -0.478074524
C     2.938106028   -1.206426890    9.427521626    0.354367432    0.295898803   -0.402728068
C     2.699720318   -0.112206091    8.470807270    0.107582680    0.264268753   -0.378772468
C     1.583833899    0.722449819    8.618621265   -0.012344118    0.087636688   -0.289738606
C     1.370712403    1.756530905    7.719170249   -0.245200866    0.059631348   -0.268017858
C     2.260904877    1.966251500    6.667628924   -0.360084937    0.206304695   -0.334324019
C     3.370657971    1.135012943    6.528057415   -0.240054619    0.381920038   -0.422873616
C     3.591116668    0.108715452    7.427535509   -0.008421450    0.411080603   -0.445105269
H     0.893040280    0.553218477    9.435644654    0.077907589   -0.026188845   -0.238320834
H     0.504184476    2.401344380    7.833560815   -0.337834997   -0.077527694   -0.198898418
H     2.090417590    2.772559462    5.960429084   -0.542107977    0.183825643   -0.317063102
H     4.068913407    1.295420836    5.711844047   -0.328853836    0.496915584   -0.474904551
H     4.451997974   -0.545333003    7.333990004    0.087289642    0.547221729   -0.513845608
H     2.263481786   -2.041291269   10.955868409    0.604811038    0.180226340   -0.356120371
O    -0.168630792    3.949244048   21.097330544    0.443709392   -0.140942769   -0.331538600
O     1.717054507    4.633164568   20.081213662    0.472305098   -0.444158066   -0.478074524
C     0.777298348    3.862168189   20.125807613    0.354367432   -0.295898803   -0.402728068
C     0.538912638    2.767947390   19.169093257    0.107582680   -0.264268753   -0.378772468
C    -0.576973781    1.933291480   19.316907252   -0.012344118   -0.087636688   -0.289738606
C    -0.790095277    0.899210394   18.417456236   -0.245200866   -0.059631348   -0.268017858
C     0.100097197    0.689489799   17.365914911   -0.360084937   -0.206304695   -0.334324019
C     1.209850291    1.520728356   17.226343402   -0.240054619   -0.381920038   -0.422873616
C     1.430308988    2.547025848   18.125821496   -0.008421450   -0.411080603   -0.445105269
H    -1.267767400    2.102522822   20.133930641    0.077907589    0.026188845   -0.238320834
H    -1.656623204    0.254396919   18.531846802   -0.337834997    0.077527694   -0.198898418
H    -0.070390090   -0.116818163   16.658715071   -0.542107977   -0.183825643   -0.317063102
H     1.908105727    1.360320463   16.410130034   -0.328853836   -0.496915584   -0.474904551
H     2.291190294    3.201074302   18.032275991    0.087289642   -0.547221729   -0.513845608
H     0.102674106    4.697032568   21.654154396    0.604811038   -0.180226340   -0.356120371
O    -0.980174500    1.293502749   10.997527417   -0.443709392   -0.140942769    0.331538600
O    -2.865859799    1.977423269   12.013644298   -0.472305098   -0.444158066    0.478074524
C    -1.926103640    1.206426890   11.969050347   -0.354367432   -0.295898803    0.402728068
C    -1.687717930    0.112206091   12.925764704   -0.107582680   -0.264268753    0.378772468
C    -0.571831511   -0.722449819   12.777950708    0.012344118   -0.087636688    0.289738606
C    -0.358710015   -1.756530905   13.677401724    0.245200866   -0.059631348    0.268017858
C    -1.248902490   -1.966251500   14.728943049    0.360084937   -0.206304695    0.334324019
C    -2.358655583   -1.135012943   14.868514558    0.240054619   -0.381920038    0.422873616
C    -2.579114281   -0.108715452   13.969036464    0.008421450   -0.411080603    0.445105269
H     0.118962107   -0.553218477   11.960927319   -0.077907589    0.026188845    0.238320834
H     0.507817912   -2.401344380   13.563011158    0.337834997    0.077527694    0.198898418
H    -1.078415203   -2.772559462   15.436142889    0.542107977   -0.183825643    0.317063102
H    -3.056911020   -1.295420836   15.684727926    0.328853836   -0.496915584    0.474904551
H    -3.439995586    0.545333003   14.062581969   -0.087289642   -0.547221729    0.513845608
H    -1.251479399    2.041291269   10.440703564   -0.604811038   -0.180226340    0.356120371
060
Bg, (4.33THz), IR inactive
O     1.180633180    1.362238550    0.299241429   -0.354079981   -0.034688318    0.462636742
O    -0.705052119    0.678318030    1.315358311   -0.425060965    0.365669876    0.596180428
C     0.234704040    1.449314409    1.270764360   -0.308558662    0.216958838    0.483882846
C     0.473089750    2.543535208    2.227478717   -0.109411781    0.285749190    0.359831753
C     1.588976169    3.378191118    2.079664721    0.013411134    0.098728704    0.235083536
C     1.802097665    4.412272204    2.979115737    0.201457524    0.165084283    0.118241343
C     0.911905190    4.621992799    4.030657062    0.268398152    0.417007003    0.124647463
C    -0.197847903    3.790754242    4.170228571    0.145825011    0.602182015    0.248833949
C    -0.418306601    2.764456751    3.270750477   -0.041031207    0.536946217    0.365083764
H     2.279769787    3.208959776    1.262641332   -0.039561677   -0.096877016    0.230802719
H     2.668625592    5.057085679    2.864725171    0.296337851    0.019899012    0.021723922
H     1.082392477    5.428300761    4.737856902    0.415218727    0.468732884    0.033403506
H    -0.896103340    3.951162135    4.986441939    0.197420787    0.798840437    0.254293871
H    -1.279187906    2.110408297    3.364295982   -0.138015513    0.678973809    0.462400690
H     0.909328281    0.614450030   -0.257582423   -0.486962208   -0.054440671    0.550908376
O     1.992176888   -1.293502749   10.399044557   -0.354079981    0.034688318    0.462636742
O     3.877862187   -1.977423269    9.382927675   -0.425060965   -0.365669876    0.596180428
C     2.938106028   -1.206426890    9.427521626   -0.308558662   -0.216958838    0.483882846
C     2.699720318   -0.112206091    8.470807270   -0.109411781   -0.285749190    0.359831753
C     1.583833899    0.722449819    8.618621265    0.013411134   -0.098728704    0.235083536
C     1.370712403    1.756530905    7.719170249    0.201457524   -0.165084283    0.118241343
C     2.260904877    1.966251500    6.667628924    0.268398152   -0.417007003    0.124647463
C     3.370657971    1.135012943    6.528057415    0.145825011   -0.602182015    0.248833949
C     3.591116668    0.108715452    7.427535509   -0.041031207   -0.536946217    0.365083764
H     0.893040280    0.553218477    9.435644654   -0.039561677    0.096877016    0.230802719
H     0.504184476    2.401344380    7.833560815    0.296337851   -0.019899012    0.021723922
H     2.090417590    2.772559462    5.960429084    0.415218727   -0.468732884    0.033403506
H     4.068913407    1.295420836    5.711844047    0.197420787   -0.798840437    0.254293871
H     4.451997974   -0.545333003    7.333990004   -0.138015513   -0.678973809    0.462400690
H     2.263481786   -2.041291269   10.955868409   -0.486962208    0.054440671    0.550908376
O    -0.168630792    3.949244048   21.097330544    0.354079981    0.034688318   -0.462636742
O     1.717054507    4.633164568   20.081213662    0.425060965   -0.365669876   -0.596180428
C     0.777298348    3.862168189   20.125807613    0.308558662   -0.216958838   -0.483882846
C     0.538912638    2.767947390   19.169093257    0.109411781   -0.285749190   -0.359831753
C    -0.576973781    1.933291480   19.316907252   -0.013411134   -0.098728704   -0.235083536
C    -0.790095277    0.899210394   18.417456236   -0.201457524   -0.165084283   -0.118241343
C     0.100097197    0.689489799   17.365914911   -0.268398152   -0.417007003   -0.124647463
C     1.209850291    1.520728356   17.226343402   -0.145825011   -0.602182015   -0.248833949
C     1.430308988    2.547025848   18.125821496    0.041031207   -0.536946217   -0.365083764
H    -1.267767400    2.102522822   20.133930641    0.039561677    0.096877016   -0.230802719
H    -1.656623204    0.254396919   18.531846802   -0.296337851   -0.019899012   -0.021723922
H    -0.070390090   -0.116818163   16.658715071   -0.415218727   -0.468732884   -0.033403506
H     1.908105727    1.360320463   16.410130034   -0.197420787   -0.798840437   -0.254293871
H     2.291190294    3.201074302   18.032275991    0.138015513   -0.678973809   -0.462400690
H     0.102674106    4.697032568   21.654154396    0.486962208    0.054440671   -0.550908376
O    -0.980174500    1.293502749   10.997527417    0.354079981   -0.034688318   -0.462636742
O    -2.865859799    1.977423269   12.013644298    0.425060965    0.365669876   -0.596180428
C    -1.926103640    1.206426890   11.969050347    0.308558662    0.216958838   -0.483882846
C    -1.687717930    0.112206091   12.925764704    0.109411781    0.285749190   -0.359831753
C    -0.571831511   -0.722449819   12.777950708   -0.013411134    0.098728704   -0.235083536
C    -0.358710015   -1.756530905   13.677401724   -0.201457524    0.165084283   -0.118241343
C    -1.248902490   -1.966251500   14.728943049   -0.268398152    0.417007003   -0.124647463
C    -2.358655583   -1.135012943   14.868514558   -0.145825011    0.602182015   -0.248833949
C    -2.579114281   -0.108715452   13.969036464    0.041031207    0.536946217   -0.365083764
H     0.118962107   -0.553218477   11.960927319    0.039561677   -0.096877016   -0.230802719
H     0.507817912   -2.401344380   13.563011158   -0.296337851    0.019899012   -0.021723922
H    -1.078415203   -2.772559462   15.436142889   -0.415218727    0.468732884   -0.033403506
H    -3.056911020   -1.295420836   15.684727926   -0.197420787    0.798840437   -0.254293871
H    -3.439995586    0.545333003   14.062581969    0.138015513    0.678973809   -0.462400690
H    -1.251479399    2.041291269   10.440703564    0.486962208   -0.054440671   -0.550908376
060
Bg, (4.44THz), IR inactive
O     1.180633180    1.362238550    0.299241429    0.204943101   -0.502924995    0.481006526
O    -0.705052119    0.678318030    1.315358311    0.553902009   -0.786419716    0.925319582
C     0.234704040    1.449314409    1.270764360    0.303892348   -0.502535936    0.574750062
C     0.473089750    2.543535208    2.227478717    0.081914518   -0.131605228    0.216034314
C     1.588976169    3.378191118    2.079664721   -0.201701546    0.176191737   -0.175971967
C     1.802097665    4.412272204    2.979115737   -0.412088866    0.521437926   -0.513436070
C     0.911905190    4.621992799    4.030657062   -0.341564107    0.564189780   -0.463576563
C    -0.197847903    3.790754242    4.170228571   -0.060103925    0.255790244   -0.073375595
C    -0.418306601    2.764456751    3.270750477    0.147814529   -0.091788258    0.262676664
H     2.279769787    3.208959776    1.262641332   -0.254507526    0.142700418   -0.212713678
H     2.668625592    5.057085679    2.864725171   -0.631222112    0.760575114   -0.816843217
H     1.082392477    5.428300761    4.737856902   -0.504846038    0.836566626   -0.727251642
H    -0.896103340    3.951162135    4.986441939   -0.004608742    0.286668013   -0.033038664
H    -1.279187906    2.110408297    3.364295982    0.367158000   -0.335573744    0.568138810
H     0.909328281    0.614450030   -0.257582423    0.369274530   -0.760799478    0.739888497
O     1.992176888   -1.293502749   10.399044557    0.204943101    0.502924995    0.481006526
O     3.877862187   -1.977423269    9.382927675    0.553902009    0.786419716    0.925319582
C     2.938106028   -1.206426890    9.427521626    0.303892348    0.502535936    0.574750062
C     2.699720318   -0.112206091    8.470807270    0.081914518    0.131605228    0.216034314
C     1.583833899    0.722449819    8.618621265   -0.201701546   -0.176191737   -0.175971967
C     1.370712403    1.756530905    7.719170249   -0.412088866   -0.521437926   -0.513436070
C     2.260904877    1.966251500    6.667628924   -0.341564107   -0.564189780   -0.463576563
C     3.370657971    1.135012943    6.528057415   -0.060103925   -0.255790244   -0.073375595
C     3.591116668    0.108715452    7.427535509    0.147814529    0.091788258    0.262676664
H     0.893040280    0.553218477    9.435644654   -0.254507526   -0.142700418   -0.212713678
H     0.504184476    2.401344380    7.833560815   -0.631222112   -0.760575114   -0.816843217
H     2.090417590    2.772559462    5.960429084   -0.504846038   -0.836566626   -0.727251642
H     4.068913407    1.295420836    5.711844047   -0.004608742   -0.286668013   -0.033038664
H     4.451997974   -0.545333003    7.333990004    0.367158000    0.335573744    0.568138810
H     2.263481786   -2.041291269   10.955868409    0.369274530    0.760799478    0.739888497
O    -0.168630792    3.949244048   21.097330544   -0.204943101    0.502924995   -0.481006526
O     1.717054507    4.633164568   20.081213662   -0.553902009    0.786419716   -0.925319582
C     0.777298348    3.862168189   20.125807613   -0.303892348    0.502535936   -0.574750062
C     0.538912638    2.767947390   19.169093257   -0.081914518    0.131605228   -0.216034314
C    -0.576973781    1.933291480   19.316907252    0.201701546   -0.176191737    0.175971967
C    -0.790095277    0.899210394   18.417456236    0.412088866   -0.521437926    0.513436070
C     0.100097197    0.689489799   17.365914911    0.341564107   -0.564189780    0.463576563
C     1.209850291    1.520728356   17.226343402    0.060103925   -0.255790244    0.073375595
C     1.430308988    2.547025848   18.125821496   -0.147814529    0.091788258   -0.262676664
H    -1.267767400    2.102522822   20.133930641    0.254507526   -0.142700418    0.212713678
H    -1.656623204    0.254396919   18.531846802    0.631222112   -0.760575114    0.816843217
H    -0.070390090   -0.116818163   16.658715071    0.504846038   -0.836566626    0.727251642
H     1.908105727    1.360320463   16.410130034    0.004608742   -0.286668013    0.033038664
H     2.291190294    3.201074302   18.032275991   -0.367158000    0.335573744   -0.568138810
H     0.102674106    4.697032568   21.654154396   -0.369274530    0.760799478   -0.739888497
O    -0.980174500    1.293502749   10.997527417   -0.204943101   -0.502924995   -0.481006526
O    -2.865859799    1.977423269   12.013644298   -0.553902009   -0.786419716   -0.925319582
C    -1.926103640    1.206426890   11.969050347   -0.303892348   -0.502535936   -0.574750062
C    -1.687717930    0.112206091   12.925764704   -0.081914518   -0.131605228   -0.216034314
C    -0.571831511   -0.722449819   12.777950708    0.201701546    0.176191737    0.175971967
C    -0.358710015   -1.756530905   13.677401724    0.412088866    0.521437926    0.513436070
C    -1.248902490   -1.966251500   14.728943049    0.341564107    0.564189780    0.463576563
C    -2.358655583   -1.135012943   14.868514558    0.060103925    0.255790244    0.073375595
C    -2.579114281   -0.108715452   13.969036464   -0.147814529   -0.091788258   -0.262676664
H     0.118962107   -0.553218477   11.960927319    0.254507526    0.142700418    0.212713678
H     0.507817912   -2.401344380   13.563011158    0.631222112    0.760575114    0.816843217
H    -1.078415203   -2.772559462   15.436142889    0.504846038    0.836566626    0.727251642
H    -3.056911020   -1.295420836   15.684727926    0.004608742    0.286668013    0.033038664
H    -3.439995586    0.545333003   14.062581969   -0.367158000   -0.335573744   -0.568138810
H    -1.251479399    2.041291269   10.440703564   -0.369274530   -0.760799478   -0.739888497
060
Ag, (4.49THz), IR inactive
O     1.180633180    1.362238550    0.299241429   -0.038886451    0.459640591   -0.534699267
O    -0.705052119    0.678318030    1.315358311   -0.377929550    0.665480661   -1.011863961
C     0.234704040    1.449314409    1.270764360   -0.164815435    0.427174001   -0.651221290
C     0.473089750    2.543535208    2.227478717   -0.019028499    0.082220067   -0.303109613
C     1.588976169    3.378191118    2.079664721    0.226970876   -0.172870295    0.102042002
C     1.802097665    4.412272204    2.979115737    0.365464201   -0.494235584    0.429209305
C     0.911905190    4.621992799    4.030657062    0.260055648   -0.565130827    0.356042420
C    -0.197847903    3.790754242    4.170228571    0.016236550   -0.309258844   -0.047214134
C    -0.418306601    2.764456751    3.270750477   -0.120170272    0.014077324   -0.373249471
H     2.279769787    3.208959776    1.262641332    0.307189931   -0.117554796    0.156964995
H     2.668625592    5.057085679    2.864725171    0.555541270   -0.692438259    0.742872806
H     1.082392477    5.428300761    4.737856902    0.367142335   -0.818587514    0.611786117
H    -0.896103340    3.951162135    4.986441939   -0.066218624   -0.362340019   -0.105772869
H    -1.279187906    2.110408297    3.364295982   -0.309516205    0.216895729   -0.688704043
H     0.909328281    0.614450030   -0.257582423   -0.153414952    0.695873452   -0.788798263
O     1.992176888   -1.293502749   10.399044557    0.038886451    0.459640591    0.534699267
O     3.877862187   -1.977423269    9.382927675    0.377929550    0.665480661    1.011863961
C     2.938106028   -1.206426890    9.427521626    0.164815435    0.427174001    0.651221290
C     2.699720318   -0.112206091    8.470807270    0.019028499    0.082220067    0.303109613
C     1.583833899    0.722449819    8.618621265   -0.226970876   -0.172870295   -0.102042002
C     1.370712403    1.756530905    7.719170249   -0.365464201   -0.494235584   -0.429209305
C     2.260904877    1.966251500    6.667628924   -0.260055648   -0.565130827   -0.356042420
C     3.370657971    1.135012943    6.528057415   -0.016236550   -0.309258844    0.047214134
C     3.591116668    0.108715452    7.427535509    0.120170272    0.014077324    0.373249471
H     0.893040280    0.553218477    9.435644654   -0.307189931   -0.117554796   -0.156964995
H     0.504184476    2.401344380    7.833560815   -0.555541270   -0.692438259   -0.742872806
H     2.090417590    2.772559462    5.960429084   -0.367142335   -0.818587514   -0.611786117
H     4.068913407    1.295420836    5.711844047    0.066218624   -0.362340019    0.105772869
H     4.451997974   -0.545333003    7.333990004    0.309516205    0.216895729    0.688704043
H     2.263481786   -2.041291269   10.955868409    0.153414952    0.695873452    0.788798263
O    -0.168630792    3.949244048   21.097330544    0.038886451   -0.459640591    0.534699267
O     1.717054507    4.633164568   20.081213662    0.377929550   -0.665480661    1.011863961
C     0.777298348    3.862168189   20.125807613    0.164815435   -0.427174001    0.651221290
C     0.538912638    2.767947390   19.169093257    0.019028499   -0.082220067    0.303109613
C    -0.576973781    1.933291480   19.316907252   -0.226970876    0.172870295   -0.102042002
C    -0.790095277    0.899210394   18.417456236   -0.365464201    0.494235584   -0.429209305
C     0.100097197    0.689489799   17.365914911   -0.260055648    0.565130827   -0.356042420
C     1.209850291    1.520728356   17.226343402   -0.016236550    0.309258844    0.047214134
C     1.430308988    2.547025848   18.125821496    0.120170272   -0.014077324    0.373249471
H    -1.267767400    2.102522822   20.133930641   -0.307189931    0.117554796   -0.156964995
H    -1.656623204    0.254396919   18.531846802   -0.555541270    0.692438259   -0.742872806
H    -0.070390090   -0.116818163   16.658715071   -0.367142335    0.818587514   -0.611786117
H     1.908105727    1.360320463   16.410130034    0.066218624    0.362340019    0.105772869
H     2.291190294    3.201074302   18.032275991    0.309516205   -0.216895729    0.688704043
H     0.102674106    4.697032568   21.654154396    0.153414952   -0.695873452    0.788798263
O    -0.980174500    1.293502749   10.997527417   -0.038886451   -0.459640591   -0.534699267
O    -2.865859799    1.977423269   12.013644298   -0.377929550   -0.665480661   -1.011863961
C    -1.926103640    1.206426890   11.969050347   -0.164815435   -0.427174001   -0.651221290
C    -1.687717930    0.112206091   12.925764704   -0.019028499   -0.082220067   -0.303109613
C    -0.571831511   -0.722449819   12.777950708    0.226970876    0.172870295    0.102042002
C    -0.358710015   -1.756530905   13.677401724    0.365464201    0.494235584    0.429209305
C    -1.248902490   -1.966251500   14.728943049    0.260055648    0.565130827    0.356042420
C    -2.358655583   -1.135012943   14.868514558    0.016236550    0.309258844   -0.047214134
C    -2.579114281   -0.108715452   13.969036464   -0.120170272   -0.014077324   -0.373249471
H     0.118962107   -0.553218477   11.960927319    0.307189931    0.117554796    0.156964995
H     0.507817912   -2.401344380   13.563011158    0.555541270    0.692438259    0.742872806
H    -1.078415203   -2.772559462   15.436142889    0.367142335    0.818587514    0.611786117
H    -3.056911020   -1.295420836   15.684727926   -0.066218624    0.362340019   -0.105772869
H    -3.439995586    0.545333003   14.062581969   -0.309516205   -0.216895729   -0.688704043
H    -1.251479399    2.041291269   10.440703564   -0.153414952   -0.695873452   -0.788798263
