060
Au, (0.84THz), intensity=0.002 jmolscript: load "" {2 2 2} spacegroup "x,y,z" unitcell {5.367413   5.175819  22.067647  90.0 100.353779  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; print _modelname;
O     1.037573488    1.217028399    0.308587931   -0.620911499    0.061943484   -0.155085521
O    -0.814385569    0.727417368    1.485231429   -0.589182521    0.079402888   -0.099313319
C     0.313467214    1.449776252    1.258106980   -0.574381599    0.050357131   -0.117667035
C     0.548867392    2.506724725    2.256553747   -0.498384193    0.004951002   -0.088146180
C     1.671048494    3.339250215    2.150185281   -0.474980600   -0.028448440   -0.102220299
C     1.881395772    4.338353487    3.088961342   -0.403347699   -0.070774837   -0.073831602
C     0.982151370    4.514987225    4.138877795   -0.354588382   -0.080300898   -0.031499876
C    -0.133795971    3.686141579    4.237194115   -0.378198133   -0.046806307   -0.017539271
C    -0.351433347    2.694862699    3.298606447   -0.449562564   -0.004244027   -0.045350887
H     2.359701997    3.182548048    1.326723477   -0.513828563   -0.020422633   -0.135426898
H     2.751915236    4.982056390    3.004236384   -0.385353537   -0.096600913   -0.084827428
H     1.149633731    5.295457234    4.875238197   -0.298507708   -0.113583994   -0.009449063
H    -0.838687079    3.822342675    5.052204705   -0.340378542   -0.053973009    0.015559785
H    -1.221010327    2.052888325    3.374725897   -0.467850513    0.021874367   -0.034329845
H    -0.849520383    0.074758564    0.766836635   -0.640269797    0.107599155   -0.121933991
O     2.346778404   -1.370881001   10.545569298    0.620911499    0.061943484    0.155085521
O     4.198737461   -1.860492031    9.368925800    0.589182521    0.079402888    0.099313319
C     3.070884678   -1.138133147    9.596050249    0.574381599    0.050357131    0.117667035
C     2.835484500   -0.081184674    8.597603483    0.498384193    0.004951002    0.088146180
C     1.713303398    0.751340816    8.703971949    0.474980600   -0.028448440    0.102220299
C     1.502956120    1.750444088    7.765195887    0.403347699   -0.070774837    0.073831602
C     2.402200522    1.927077826    6.715279435    0.354588382   -0.080300898    0.031499876
C     3.518147863    1.098232179    6.616963115    0.378198133   -0.046806307    0.017539271
C     3.735785239    0.106953300    7.555550783    0.449562564   -0.004244027    0.045350887
H     1.024649895    0.594638649    9.527433753    0.513828563   -0.020422633    0.135426898
H     0.632436656    2.394146991    7.849920846    0.385353537   -0.096600913    0.084827428
H     2.234718161    2.707547835    5.978919032    0.298507708   -0.113583994    0.009449063
H     4.223038971    1.234433276    5.801952524    0.340378542   -0.053973009   -0.015559785
H     4.605362219   -0.535021074    7.479431332    0.467850513    0.021874367    0.034329845
H     4.233872275   -2.513150835   10.087320594    0.640269797    0.107599155    0.121933991
O     0.363717460    3.958790402   21.399726529   -0.620911499    0.061943484   -0.155085521
O     2.215676517    4.448401432   20.223083030   -0.589182521    0.079402888   -0.099313319
C     1.087823734    3.726042549   20.450207479   -0.574381599    0.050357131   -0.117667035
C     0.852423556    2.669094076   19.451760713   -0.498384193    0.004951002   -0.088146180
C    -0.269757546    1.836568585   19.558129179   -0.474980600   -0.028448440   -0.102220299
C    -0.480104824    0.837465314   18.619353117   -0.403347699   -0.070774837   -0.073831602
C     0.419139578    0.660831576   17.569436665   -0.354588382   -0.080300898   -0.031499876
C     1.535086919    1.489677222   17.471120345   -0.378198133   -0.046806307   -0.017539271
C     1.752724295    2.480956102   18.409708013   -0.449562564   -0.004244027   -0.045350887
H    -0.958411049    1.993270752   20.381590983   -0.513828563   -0.020422633   -0.135426898
H    -1.350624288    0.193762411   18.704078076   -0.385353537   -0.096600913   -0.084827428
H     0.251657217   -0.119638434   16.833076262   -0.298507708   -0.113583994   -0.009449063
H     2.239978028    1.353476126   16.656109755   -0.340378542   -0.053973009    0.015559785
H     2.622301275    3.122930476   18.333588563   -0.467850513    0.021874367   -0.034329845
H     2.250811331    5.101060236   20.941477824   -0.640269797    0.107599155   -0.121933991
O    -0.945487456    1.370881001   11.162745163    0.620911499    0.061943484    0.155085521
O    -2.797446513    1.860492031   12.339388662    0.589182521    0.079402888    0.099313319
C    -1.669593730    1.138133147   12.112264213    0.574381599    0.050357131    0.117667035
C    -1.434193552    0.081184674   13.110710979    0.498384193    0.004951002    0.088146180
C    -0.312012450   -0.751340816   13.004342513    0.474980600   -0.028448440    0.102220299
C    -0.101665172   -1.750444088   13.943118575    0.403347699   -0.070774837    0.073831602
C    -1.000909574   -1.927077826   14.993035027    0.354588382   -0.080300898    0.031499876
C    -2.116856915   -1.098232179   15.091351347    0.378198133   -0.046806307    0.017539271
C    -2.334494291   -0.106953300   14.152763679    0.449562564   -0.004244027    0.045350887
H     0.376641053   -0.594638649   12.180880709    0.513828563   -0.020422633    0.135426898
H     0.768854292   -2.394146991   13.858393616    0.385353537   -0.096600913    0.084827428
H    -0.833427213   -2.707547835   15.729395430    0.298507708   -0.113583994    0.009449063
H    -2.821748024   -1.234433276   15.906361937    0.340378542   -0.053973009   -0.015559785
H    -3.204071271    0.535021074   14.228883129    0.467850513    0.021874367    0.034329845
H    -2.832581327    2.513150835   11.620993868    0.640269797    0.107599155    0.121933991
060
Bg, (1.07THz), IR inactive
O     1.037573488    1.217028399    0.308587931   -0.183948270    0.092559295    0.085522088
O    -0.814385569    0.727417368    1.485231429   -0.256396787   -0.043442332   -0.080779574
C     0.313467214    1.449776252    1.258106980   -0.288693492    0.039596907    0.020155500
C     0.548867392    2.506724725    2.256553747   -0.458707025    0.057384742    0.040488314
C     1.671048494    3.339250215    2.150185281   -0.510263681    0.140058582    0.140825961
C     1.881395772    4.338353487    3.088961342   -0.670508893    0.155973639    0.158953812
C     0.982151370    4.514987225    4.138877795   -0.780378899    0.090144953    0.077868082
C    -0.133795971    3.686141579    4.237194115   -0.728350728    0.007927115   -0.021910165
C    -0.351433347    2.694862699    3.298606447   -0.568699660   -0.008525241   -0.040697453
H     2.359701997    3.182548048    1.326723477   -0.422752240    0.190462605    0.202938818
H     2.751915236    4.982056390    3.004236384   -0.710143223    0.220105983    0.236791292
H     1.149633731    5.295457234    4.875238197   -0.905835965    0.102811967    0.092312755
H    -0.838687079    3.822342675    5.052204705   -0.813571373   -0.043677531   -0.085467983
H    -1.221010327    2.052888325    3.374725897   -0.528398930   -0.072591866   -0.118449583
H    -0.849520383    0.074758564    0.766836635   -0.142018411   -0.046345666   -0.083413914
O     2.346778404   -1.370881001   10.545569298   -0.183948270   -0.092559295    0.085522088
O     4.198737461   -1.860492031    9.368925800   -0.256396787    0.043442332   -0.080779574
C     3.070884678   -1.138133147    9.596050249   -0.288693492   -0.039596907    0.020155500
C     2.835484500   -0.081184674    8.597603483   -0.458707025   -0.057384742    0.040488314
C     1.713303398    0.751340816    8.703971949   -0.510263681   -0.140058582    0.140825961
C     1.502956120    1.750444088    7.765195887   -0.670508893   -0.155973639    0.158953812
C     2.402200522    1.927077826    6.715279435   -0.780378899   -0.090144953    0.077868082
C     3.518147863    1.098232179    6.616963115   -0.728350728   -0.007927115   -0.021910165
C     3.735785239    0.106953300    7.555550783   -0.568699660    0.008525241   -0.040697453
H     1.024649895    0.594638649    9.527433753   -0.422752240   -0.190462605    0.202938818
H     0.632436656    2.394146991    7.849920846   -0.710143223   -0.220105983    0.236791292
H     2.234718161    2.707547835    5.978919032   -0.905835965   -0.102811967    0.092312755
H     4.223038971    1.234433276    5.801952524   -0.813571373    0.043677531   -0.085467983
H     4.605362219   -0.535021074    7.479431332   -0.528398930    0.072591866   -0.118449583
H     4.233872275   -2.513150835   10.087320594   -0.142018411    0.046345666   -0.083413914
O     0.363717460    3.958790402   21.399726529    0.183948270   -0.092559295   -0.085522088
O     2.215676517    4.448401432   20.223083030    0.256396787    0.043442332    0.080779574
C     1.087823734    3.726042549   20.450207479    0.288693492   -0.039596907   -0.020155500
C     0.852423556    2.669094076   19.451760713    0.458707025   -0.057384742   -0.040488314
C    -0.269757546    1.836568585   19.558129179    0.510263681   -0.140058582   -0.140825961
C    -0.480104824    0.837465314   18.619353117    0.670508893   -0.155973639   -0.158953812
C     0.419139578    0.660831576   17.569436665    0.780378899   -0.090144953   -0.077868082
C     1.535086919    1.489677222   17.471120345    0.728350728   -0.007927115    0.021910165
C     1.752724295    2.480956102   18.409708013    0.568699660    0.008525241    0.040697453
H    -0.958411049    1.993270752   20.381590983    0.422752240   -0.190462605   -0.202938818
H    -1.350624288    0.193762411   18.704078076    0.710143223   -0.220105983   -0.236791292
H     0.251657217   -0.119638434   16.833076262    0.905835965   -0.102811967   -0.092312755
H     2.239978028    1.353476126   16.656109755    0.813571373    0.043677531    0.085467983
H     2.622301275    3.122930476   18.333588563    0.528398930    0.072591866    0.118449583
H     2.250811331    5.101060236   20.941477824    0.142018411    0.046345666    0.083413914
O    -0.945487456    1.370881001   11.162745163    0.183948270    0.092559295   -0.085522088
O    -2.797446513    1.860492031   12.339388662    0.256396787   -0.043442332    0.080779574
C    -1.669593730    1.138133147   12.112264213    0.288693492    0.039596907   -0.020155500
C    -1.434193552    0.081184674   13.110710979    0.458707025    0.057384742   -0.040488314
C    -0.312012450   -0.751340816   13.004342513    0.510263681    0.140058582   -0.140825961
C    -0.101665172   -1.750444088   13.943118575    0.670508893    0.155973639   -0.158953812
C    -1.000909574   -1.927077826   14.993035027    0.780378899    0.090144953   -0.077868082
C    -2.116856915   -1.098232179   15.091351347    0.728350728    0.007927115    0.021910165
C    -2.334494291   -0.106953300   14.152763679    0.568699660   -0.008525241    0.040697453
H     0.376641053   -0.594638649   12.180880709    0.422752240    0.190462605   -0.202938818
H     0.768854292   -2.394146991   13.858393616    0.710143223    0.220105983   -0.236791292
H    -0.833427213   -2.707547835   15.729395430    0.905835965    0.102811967   -0.092312755
H    -2.821748024   -1.234433276   15.906361937    0.813571373   -0.043677531    0.085467983
H    -3.204071271    0.535021074   14.228883129    0.528398930   -0.072591866    0.118449583
H    -2.832581327    2.513150835   11.620993868    0.142018411   -0.046345666    0.083413914
060
Bu, (1.16THz), intensity=0.033
O     1.037573488    1.217028399    0.308587931   -0.107810859    0.700924006   -0.166600569
O    -0.814385569    0.727417368    1.485231429   -0.046792920    0.579817097   -0.122022371
C     0.313467214    1.449776252    1.258106980   -0.058691922    0.603342354   -0.106727292
C     0.548867392    2.506724725    2.256553747   -0.007198296    0.500924320   -0.012863187
C     1.671048494    3.339250215    2.150185281   -0.012866060    0.512056175    0.013740337
C     1.881395772    4.338353487    3.088961342    0.035549100    0.415756889    0.103080445
C     0.982151370    4.514987225    4.138877795    0.089877168    0.307838464    0.166187707
C    -0.133795971    3.686141579    4.237194115    0.095127305    0.297534143    0.139636719
C    -0.351433347    2.694862699    3.298606447    0.046720392    0.393812691    0.051446101
H     2.359701997    3.182548048    1.326723477   -0.055472705    0.596694661   -0.036732105
H     2.751915236    4.982056390    3.004236384    0.031038333    0.424619181    0.123505786
H     1.149633731    5.295457234    4.875238197    0.127853837    0.232303378    0.235818305
H    -0.838687079    3.822342675    5.052204705    0.137300313    0.213759818    0.188878220
H    -1.221010327    2.052888325    3.374725897    0.050785255    0.385833702    0.031145022
H    -0.849520383    0.074758564    0.766836635   -0.083863979    0.653533981   -0.185551562
O     2.346778404   -1.370881001   10.545569298   -0.107810859   -0.700924006   -0.166600569
O     4.198737461   -1.860492031    9.368925800   -0.046792920   -0.579817097   -0.122022371
C     3.070884678   -1.138133147    9.596050249   -0.058691922   -0.603342354   -0.106727292
C     2.835484500   -0.081184674    8.597603483   -0.007198296   -0.500924320   -0.012863187
C     1.713303398    0.751340816    8.703971949   -0.012866060   -0.512056175    0.013740337
C     1.502956120    1.750444088    7.765195887    0.035549100   -0.415756889    0.103080445
C     2.402200522    1.927077826    6.715279435    0.089877168   -0.307838464    0.166187707
C     3.518147863    1.098232179    6.616963115    0.095127305   -0.297534143    0.139636719
C     3.735785239    0.106953300    7.555550783    0.046720392   -0.393812691    0.051446101
H     1.024649895    0.594638649    9.527433753   -0.055472705   -0.596694661   -0.036732105
H     0.632436656    2.394146991    7.849920846    0.031038333   -0.424619181    0.123505786
H     2.234718161    2.707547835    5.978919032    0.127853837   -0.232303378    0.235818305
H     4.223038971    1.234433276    5.801952524    0.137300313   -0.213759818    0.188878220
H     4.605362219   -0.535021074    7.479431332    0.050785255   -0.385833702    0.031145022
H     4.233872275   -2.513150835   10.087320594   -0.083863979   -0.653533981   -0.185551562
O     0.363717460    3.958790402   21.399726529   -0.107810859    0.700924006   -0.166600569
O     2.215676517    4.448401432   20.223083030   -0.046792920    0.579817097   -0.122022371
C     1.087823734    3.726042549   20.450207479   -0.058691922    0.603342354   -0.106727292
C     0.852423556    2.669094076   19.451760713   -0.007198296    0.500924320   -0.012863187
C    -0.269757546    1.836568585   19.558129179   -0.012866060    0.512056175    0.013740337
C    -0.480104824    0.837465314   18.619353117    0.035549100    0.415756889    0.103080445
C     0.419139578    0.660831576   17.569436665    0.089877168    0.307838464    0.166187707
C     1.535086919    1.489677222   17.471120345    0.095127305    0.297534143    0.139636719
C     1.752724295    2.480956102   18.409708013    0.046720392    0.393812691    0.051446101
H    -0.958411049    1.993270752   20.381590983   -0.055472705    0.596694661   -0.036732105
H    -1.350624288    0.193762411   18.704078076    0.031038333    0.424619181    0.123505786
H     0.251657217   -0.119638434   16.833076262    0.127853837    0.232303378    0.235818305
H     2.239978028    1.353476126   16.656109755    0.137300313    0.213759818    0.188878220
H     2.622301275    3.122930476   18.333588563    0.050785255    0.385833702    0.031145022
H     2.250811331    5.101060236   20.941477824   -0.083863979    0.653533981   -0.185551562
O    -0.945487456    1.370881001   11.162745163   -0.107810859   -0.700924006   -0.166600569
O    -2.797446513    1.860492031   12.339388662   -0.046792920   -0.579817097   -0.122022371
C    -1.669593730    1.138133147   12.112264213   -0.058691922   -0.603342354   -0.106727292
C    -1.434193552    0.081184674   13.110710979   -0.007198296   -0.500924320   -0.012863187
C    -0.312012450   -0.751340816   13.004342513   -0.012866060   -0.512056175    0.013740337
C    -0.101665172   -1.750444088   13.943118575    0.035549100   -0.415756889    0.103080445
C    -1.000909574   -1.927077826   14.993035027    0.089877168   -0.307838464    0.166187707
C    -2.116856915   -1.098232179   15.091351347    0.095127305   -0.297534143    0.139636719
C    -2.334494291   -0.106953300   14.152763679    0.046720392   -0.393812691    0.051446101
H     0.376641053   -0.594638649   12.180880709   -0.055472705   -0.596694661   -0.036732105
H     0.768854292   -2.394146991   13.858393616    0.031038333   -0.424619181    0.123505786
H    -0.833427213   -2.707547835   15.729395430    0.127853837   -0.232303378    0.235818305
H    -2.821748024   -1.234433276   15.906361937    0.137300313   -0.213759818    0.188878220
H    -3.204071271    0.535021074   14.228883129    0.050785255   -0.385833702    0.031145022
H    -2.832581327    2.513150835   11.620993868   -0.083863979   -0.653533981   -0.185551562
060
Au, (1.31THz), intensity=0.028
O     1.037573488    1.217028399    0.308587931   -0.013881567    0.172936080   -0.606961423
O    -0.814385569    0.727417368    1.485231429    0.058855200    0.076353648   -0.534459884
C     0.313467214    1.449776252    1.258106980    0.045173503    0.094556833   -0.544271778
C     0.548867392    2.506724725    2.256553747    0.107735378    0.011569618   -0.472955107
C     1.671048494    3.339250215    2.150185281    0.101610068    0.019755505   -0.473506016
C     1.881395772    4.338353487    3.088961342    0.160436062   -0.058265829   -0.405357673
C     0.982151370    4.514987225    4.138877795    0.225689229   -0.144876221   -0.336605945
C    -0.133795971    3.686141579    4.237194115    0.231316966   -0.152397487   -0.336135438
C    -0.351433347    2.694862699    3.298606447    0.172507130   -0.074387623   -0.403210966
H     2.359701997    3.182548048    1.326723477    0.050420870    0.087694551   -0.527891585
H     2.751915236    4.982056390    3.004236384    0.155546020   -0.051732262   -0.405956595
H     1.149633731    5.295457234    4.875238197    0.271829533   -0.206076286   -0.283561340
H    -0.838687079    3.822342675    5.052204705    0.281970020   -0.219625965   -0.282426422
H    -1.221010327    2.052888325    3.374725897    0.176864147   -0.080207629   -0.402530460
H    -0.849520383    0.074758564    0.766836635    0.013902726    0.135987327   -0.585171506
O     2.346778404   -1.370881001   10.545569298    0.013881567    0.172936080    0.606961423
O     4.198737461   -1.860492031    9.368925800   -0.058855200    0.076353648    0.534459884
C     3.070884678   -1.138133147    9.596050249   -0.045173503    0.094556833    0.544271778
C     2.835484500   -0.081184674    8.597603483   -0.107735378    0.011569618    0.472955107
C     1.713303398    0.751340816    8.703971949   -0.101610068    0.019755505    0.473506016
C     1.502956120    1.750444088    7.765195887   -0.160436062   -0.058265829    0.405357673
C     2.402200522    1.927077826    6.715279435   -0.225689229   -0.144876221    0.336605945
C     3.518147863    1.098232179    6.616963115   -0.231316966   -0.152397487    0.336135438
C     3.735785239    0.106953300    7.555550783   -0.172507130   -0.074387623    0.403210966
H     1.024649895    0.594638649    9.527433753   -0.050420870    0.087694551    0.527891585
H     0.632436656    2.394146991    7.849920846   -0.155546020   -0.051732262    0.405956595
H     2.234718161    2.707547835    5.978919032   -0.271829533   -0.206076286    0.283561340
H     4.223038971    1.234433276    5.801952524   -0.281970020   -0.219625965    0.282426422
H     4.605362219   -0.535021074    7.479431332   -0.176864147   -0.080207629    0.402530460
H     4.233872275   -2.513150835   10.087320594   -0.013902726    0.135987327    0.585171506
O     0.363717460    3.958790402   21.399726529   -0.013881567    0.172936080   -0.606961423
O     2.215676517    4.448401432   20.223083030    0.058855200    0.076353648   -0.534459884
C     1.087823734    3.726042549   20.450207479    0.045173503    0.094556833   -0.544271778
C     0.852423556    2.669094076   19.451760713    0.107735378    0.011569618   -0.472955107
C    -0.269757546    1.836568585   19.558129179    0.101610068    0.019755505   -0.473506016
C    -0.480104824    0.837465314   18.619353117    0.160436062   -0.058265829   -0.405357673
C     0.419139578    0.660831576   17.569436665    0.225689229   -0.144876221   -0.336605945
C     1.535086919    1.489677222   17.471120345    0.231316966   -0.152397487   -0.336135438
C     1.752724295    2.480956102   18.409708013    0.172507130   -0.074387623   -0.403210966
H    -0.958411049    1.993270752   20.381590983    0.050420870    0.087694551   -0.527891585
H    -1.350624288    0.193762411   18.704078076    0.155546020   -0.051732262   -0.405956595
H     0.251657217   -0.119638434   16.833076262    0.271829533   -0.206076286   -0.283561340
H     2.239978028    1.353476126   16.656109755    0.281970020   -0.219625965   -0.282426422
H     2.622301275    3.122930476   18.333588563    0.176864147   -0.080207629   -0.402530460
H     2.250811331    5.101060236   20.941477824    0.013902726    0.135987327   -0.585171506
O    -0.945487456    1.370881001   11.162745163    0.013881567    0.172936080    0.606961423
O    -2.797446513    1.860492031   12.339388662   -0.058855200    0.076353648    0.534459884
C    -1.669593730    1.138133147   12.112264213   -0.045173503    0.094556833    0.544271778
C    -1.434193552    0.081184674   13.110710979   -0.107735378    0.011569618    0.472955107
C    -0.312012450   -0.751340816   13.004342513   -0.101610068    0.019755505    0.473506016
C    -0.101665172   -1.750444088   13.943118575   -0.160436062   -0.058265829    0.405357673
C    -1.000909574   -1.927077826   14.993035027   -0.225689229   -0.144876221    0.336605945
C    -2.116856915   -1.098232179   15.091351347   -0.231316966   -0.152397487    0.336135438
C    -2.334494291   -0.106953300   14.152763679   -0.172507130   -0.074387623    0.403210966
H     0.376641053   -0.594638649   12.180880709   -0.050420870    0.087694551    0.527891585
H     0.768854292   -2.394146991   13.858393616   -0.155546020   -0.051732262    0.405956595
H    -0.833427213   -2.707547835   15.729395430   -0.271829533   -0.206076286    0.283561340
H    -2.821748024   -1.234433276   15.906361937   -0.281970020   -0.219625965    0.282426422
H    -3.204071271    0.535021074   14.228883129   -0.176864147   -0.080207629    0.402530460
H    -2.832581327    2.513150835   11.620993868   -0.013902726    0.135987327    0.585171506
060
Ag, (1.74THz), IR inactive
O     1.037573488    1.217028399    0.308587931    0.231283992   -0.051785804   -0.138746519
O    -0.814385569    0.727417368    1.485231429    0.285300850    0.105234312    0.007782845
C     0.313467214    1.449776252    1.258106980    0.308719337    0.033396968   -0.101409645
C     0.548867392    2.506724725    2.256553747    0.433928096    0.069234107   -0.166830281
C     1.671048494    3.339250215    2.150185281    0.471537563    0.003571514   -0.280828963
C     1.881395772    4.338353487    3.088961342    0.589550282    0.037859037   -0.341860100
C     0.982151370    4.514987225    4.138877795    0.670821722    0.137362429   -0.290204411
C    -0.133795971    3.686141579    4.237194115    0.632860350    0.202297631   -0.176795476
C    -0.351433347    2.694862699    3.298606447    0.515282291    0.168412247   -0.115648590
H     2.359701997    3.182548048    1.326723477    0.406816140   -0.073573461   -0.319378483
H     2.751915236    4.982056390    3.004236384    0.618460071   -0.013185437   -0.430193564
H     1.149633731    5.295457234    4.875238197    0.763215902    0.164122799   -0.338090333
H    -0.838687079    3.822342675    5.052204705    0.695899090    0.279907170   -0.136198721
H    -1.221010327    2.052888325    3.374725897    0.485877594    0.218987668   -0.027460711
H    -0.849520383    0.074758564    0.766836635    0.201024267    0.072212719    0.040829796
O     2.346778404   -1.370881001   10.545569298   -0.231283992   -0.051785804    0.138746519
O     4.198737461   -1.860492031    9.368925800   -0.285300850    0.105234312   -0.007782845
C     3.070884678   -1.138133147    9.596050249   -0.308719337    0.033396968    0.101409645
C     2.835484500   -0.081184674    8.597603483   -0.433928096    0.069234107    0.166830281
C     1.713303398    0.751340816    8.703971949   -0.471537563    0.003571514    0.280828963
C     1.502956120    1.750444088    7.765195887   -0.589550282    0.037859037    0.341860100
C     2.402200522    1.927077826    6.715279435   -0.670821722    0.137362429    0.290204411
C     3.518147863    1.098232179    6.616963115   -0.632860350    0.202297631    0.176795476
C     3.735785239    0.106953300    7.555550783   -0.515282291    0.168412247    0.115648590
H     1.024649895    0.594638649    9.527433753   -0.406816140   -0.073573461    0.319378483
H     0.632436656    2.394146991    7.849920846   -0.618460071   -0.013185437    0.430193564
H     2.234718161    2.707547835    5.978919032   -0.763215902    0.164122799    0.338090333
H     4.223038971    1.234433276    5.801952524   -0.695899090    0.279907170    0.136198721
H     4.605362219   -0.535021074    7.479431332   -0.485877594    0.218987668    0.027460711
H     4.233872275   -2.513150835   10.087320594   -0.201024267    0.072212719   -0.040829796
O     0.363717460    3.958790402   21.399726529   -0.231283992    0.051785804    0.138746519
O     2.215676517    4.448401432   20.223083030   -0.285300850   -0.105234312   -0.007782845
C     1.087823734    3.726042549   20.450207479   -0.308719337   -0.033396968    0.101409645
C     0.852423556    2.669094076   19.451760713   -0.433928096   -0.069234107    0.166830281
C    -0.269757546    1.836568585   19.558129179   -0.471537563   -0.003571514    0.280828963
C    -0.480104824    0.837465314   18.619353117   -0.589550282   -0.037859037    0.341860100
C     0.419139578    0.660831576   17.569436665   -0.670821722   -0.137362429    0.290204411
C     1.535086919    1.489677222   17.471120345   -0.632860350   -0.202297631    0.176795476
C     1.752724295    2.480956102   18.409708013   -0.515282291   -0.168412247    0.115648590
H    -0.958411049    1.993270752   20.381590983   -0.406816140    0.073573461    0.319378483
H    -1.350624288    0.193762411   18.704078076   -0.618460071    0.013185437    0.430193564
H     0.251657217   -0.119638434   16.833076262   -0.763215902   -0.164122799    0.338090333
H     2.239978028    1.353476126   16.656109755   -0.695899090   -0.279907170    0.136198721
H     2.622301275    3.122930476   18.333588563   -0.485877594   -0.218987668    0.027460711
H     2.250811331    5.101060236   20.941477824   -0.201024267   -0.072212719   -0.040829796
O    -0.945487456    1.370881001   11.162745163    0.231283992    0.051785804   -0.138746519
O    -2.797446513    1.860492031   12.339388662    0.285300850   -0.105234312    0.007782845
C    -1.669593730    1.138133147   12.112264213    0.308719337   -0.033396968   -0.101409645
C    -1.434193552    0.081184674   13.110710979    0.433928096   -0.069234107   -0.166830281
C    -0.312012450   -0.751340816   13.004342513    0.471537563   -0.003571514   -0.280828963
C    -0.101665172   -1.750444088   13.943118575    0.589550282   -0.037859037   -0.341860100
C    -1.000909574   -1.927077826   14.993035027    0.670821722   -0.137362429   -0.290204411
C    -2.116856915   -1.098232179   15.091351347    0.632860350   -0.202297631   -0.176795476
C    -2.334494291   -0.106953300   14.152763679    0.515282291   -0.168412247   -0.115648590
H     0.376641053   -0.594638649   12.180880709    0.406816140    0.073573461   -0.319378483
H     0.768854292   -2.394146991   13.858393616    0.618460071    0.013185437   -0.430193564
H    -0.833427213   -2.707547835   15.729395430    0.763215902   -0.164122799   -0.338090333
H    -2.821748024   -1.234433276   15.906361937    0.695899090   -0.279907170   -0.136198721
H    -3.204071271    0.535021074   14.228883129    0.485877594   -0.218987668   -0.027460711
H    -2.832581327    2.513150835   11.620993868    0.201024267   -0.072212719    0.040829796
060
Ag, (1.81THz), IR inactive
O     1.037573488    1.217028399    0.308587931   -0.135074809    0.109898578   -0.063656967
O    -0.814385569    0.727417368    1.485231429   -0.183419842    0.272381699   -0.072019218
C     0.313467214    1.449776252    1.258106980   -0.166641125    0.231880764   -0.116282303
C     0.548867392    2.506724725    2.256553747   -0.190200605    0.348325510   -0.230959201
C     1.671048494    3.339250215    2.150185281   -0.176480781    0.322312799   -0.288239870
C     1.881395772    4.338353487    3.088961342   -0.198569142    0.431928681   -0.397068710
C     0.982151370    4.514987225    4.138877795   -0.234430569    0.567977828   -0.449343214
C    -0.133795971    3.686141579    4.237194115   -0.247815647    0.592954996   -0.392270309
C    -0.351433347    2.694862699    3.298606447   -0.225641293    0.483448078   -0.284607832
H     2.359701997    3.182548048    1.326723477   -0.148569708    0.215805152   -0.245713849
H     2.751915236    4.982056390    3.004236384   -0.187871355    0.411485591   -0.441256959
H     1.149633731    5.295457234    4.875238197   -0.251794387    0.653929184   -0.534245898
H    -0.838687079    3.822342675    5.052204705   -0.275664351    0.698645970   -0.432983735
H    -1.221010327    2.052888325    3.374725897   -0.236007473    0.502852301   -0.240586707
H    -0.849520383    0.074758564    0.766836635   -0.165189572    0.187006090    0.002681184
O     2.346778404   -1.370881001   10.545569298    0.135074809    0.109898578    0.063656967
O     4.198737461   -1.860492031    9.368925800    0.183419842    0.272381699    0.072019218
C     3.070884678   -1.138133147    9.596050249    0.166641125    0.231880764    0.116282303
C     2.835484500   -0.081184674    8.597603483    0.190200605    0.348325510    0.230959201
C     1.713303398    0.751340816    8.703971949    0.176480781    0.322312799    0.288239870
C     1.502956120    1.750444088    7.765195887    0.198569142    0.431928681    0.397068710
C     2.402200522    1.927077826    6.715279435    0.234430569    0.567977828    0.449343214
C     3.518147863    1.098232179    6.616963115    0.247815647    0.592954996    0.392270309
C     3.735785239    0.106953300    7.555550783    0.225641293    0.483448078    0.284607832
H     1.024649895    0.594638649    9.527433753    0.148569708    0.215805152    0.245713849
H     0.632436656    2.394146991    7.849920846    0.187871355    0.411485591    0.441256959
H     2.234718161    2.707547835    5.978919032    0.251794387    0.653929184    0.534245898
H     4.223038971    1.234433276    5.801952524    0.275664351    0.698645970    0.432983735
H     4.605362219   -0.535021074    7.479431332    0.236007473    0.502852301    0.240586707
H     4.233872275   -2.513150835   10.087320594    0.165189572    0.187006090   -0.002681184
O     0.363717460    3.958790402   21.399726529    0.135074809   -0.109898578    0.063656967
O     2.215676517    4.448401432   20.223083030    0.183419842   -0.272381699    0.072019218
C     1.087823734    3.726042549   20.450207479    0.166641125   -0.231880764    0.116282303
C     0.852423556    2.669094076   19.451760713    0.190200605   -0.348325510    0.230959201
C    -0.269757546    1.836568585   19.558129179    0.176480781   -0.322312799    0.288239870
C    -0.480104824    0.837465314   18.619353117    0.198569142   -0.431928681    0.397068710
C     0.419139578    0.660831576   17.569436665    0.234430569   -0.567977828    0.449343214
C     1.535086919    1.489677222   17.471120345    0.247815647   -0.592954996    0.392270309
C     1.752724295    2.480956102   18.409708013    0.225641293   -0.483448078    0.284607832
H    -0.958411049    1.993270752   20.381590983    0.148569708   -0.215805152    0.245713849
H    -1.350624288    0.193762411   18.704078076    0.187871355   -0.411485591    0.441256959
H     0.251657217   -0.119638434   16.833076262    0.251794387   -0.653929184    0.534245898
H     2.239978028    1.353476126   16.656109755    0.275664351   -0.698645970    0.432983735
H     2.622301275    3.122930476   18.333588563    0.236007473   -0.502852301    0.240586707
H     2.250811331    5.101060236   20.941477824    0.165189572   -0.187006090   -0.002681184
O    -0.945487456    1.370881001   11.162745163   -0.135074809   -0.109898578   -0.063656967
O    -2.797446513    1.860492031   12.339388662   -0.183419842   -0.272381699   -0.072019218
C    -1.669593730    1.138133147   12.112264213   -0.166641125   -0.231880764   -0.116282303
C    -1.434193552    0.081184674   13.110710979   -0.190200605   -0.348325510   -0.230959201
C    -0.312012450   -0.751340816   13.004342513   -0.176480781   -0.322312799   -0.288239870
C    -0.101665172   -1.750444088   13.943118575   -0.198569142   -0.431928681   -0.397068710
C    -1.000909574   -1.927077826   14.993035027   -0.234430569   -0.567977828   -0.449343214
C    -2.116856915   -1.098232179   15.091351347   -0.247815647   -0.592954996   -0.392270309
C    -2.334494291   -0.106953300   14.152763679   -0.225641293   -0.483448078   -0.284607832
H     0.376641053   -0.594638649   12.180880709   -0.148569708   -0.215805152   -0.245713849
H     0.768854292   -2.394146991   13.858393616   -0.187871355   -0.411485591   -0.441256959
H    -0.833427213   -2.707547835   15.729395430   -0.251794387   -0.653929184   -0.534245898
H    -2.821748024   -1.234433276   15.906361937   -0.275664351   -0.698645970   -0.432983735
H    -3.204071271    0.535021074   14.228883129   -0.236007473   -0.502852301   -0.240586707
H    -2.832581327    2.513150835   11.620993868   -0.165189572   -0.187006090    0.002681184
060
Bg, (1.96THz), IR inactive
O     1.037573488    1.217028399    0.308587931   -0.032034592   -0.075607422    0.260851121
O    -0.814385569    0.727417368    1.485231429   -0.021977492   -0.181427976    0.233408528
C     0.313467214    1.449776252    1.258106980   -0.021752954   -0.163659191    0.289525801
C     0.548867392    2.506724725    2.256553747   -0.008139723   -0.259686803    0.385418229
C     1.671048494    3.339250215    2.150185281   -0.006329685   -0.253414190    0.451824451
C     1.881395772    4.338353487    3.088961342    0.006488330   -0.343664960    0.542587026
C     0.982151370    4.514987225    4.138877795    0.017578632   -0.440686839    0.567755003
C    -0.133795971    3.686141579    4.237194115    0.015700906   -0.446213074    0.501629761
C    -0.351433347    2.694862699    3.298606447    0.002911763   -0.355955122    0.411664713
H     2.359701997    3.182548048    1.326723477   -0.015090606   -0.177261408    0.430559502
H     2.751915236    4.982056390    3.004236384    0.007863065   -0.338588219    0.593904028
H     1.149633731    5.295457234    4.875238197    0.027621797   -0.511486637    0.638625344
H    -0.838687079    3.822342675    5.052204705    0.024306741   -0.521503904    0.521148427
H    -1.221010327    2.052888325    3.374725897    0.001457084   -0.360214461    0.360498894
H    -0.849520383    0.074758564    0.766836635   -0.031400414   -0.112797992    0.173121931
O     2.346778404   -1.370881001   10.545569298   -0.032034592    0.075607422    0.260851121
O     4.198737461   -1.860492031    9.368925800   -0.021977492    0.181427976    0.233408528
C     3.070884678   -1.138133147    9.596050249   -0.021752954    0.163659191    0.289525801
C     2.835484500   -0.081184674    8.597603483   -0.008139723    0.259686803    0.385418229
C     1.713303398    0.751340816    8.703971949   -0.006329685    0.253414190    0.451824451
C     1.502956120    1.750444088    7.765195887    0.006488330    0.343664960    0.542587026
C     2.402200522    1.927077826    6.715279435    0.017578632    0.440686839    0.567755003
C     3.518147863    1.098232179    6.616963115    0.015700906    0.446213074    0.501629761
C     3.735785239    0.106953300    7.555550783    0.002911763    0.355955122    0.411664713
H     1.024649895    0.594638649    9.527433753   -0.015090606    0.177261408    0.430559502
H     0.632436656    2.394146991    7.849920846    0.007863065    0.338588219    0.593904028
H     2.234718161    2.707547835    5.978919032    0.027621797    0.511486637    0.638625344
H     4.223038971    1.234433276    5.801952524    0.024306741    0.521503904    0.521148427
H     4.605362219   -0.535021074    7.479431332    0.001457084    0.360214461    0.360498894
H     4.233872275   -2.513150835   10.087320594   -0.031400414    0.112797992    0.173121931
O     0.363717460    3.958790402   21.399726529    0.032034592    0.075607422   -0.260851121
O     2.215676517    4.448401432   20.223083030    0.021977492    0.181427976   -0.233408528
C     1.087823734    3.726042549   20.450207479    0.021752954    0.163659191   -0.289525801
C     0.852423556    2.669094076   19.451760713    0.008139723    0.259686803   -0.385418229
C    -0.269757546    1.836568585   19.558129179    0.006329685    0.253414190   -0.451824451
C    -0.480104824    0.837465314   18.619353117   -0.006488330    0.343664960   -0.542587026
C     0.419139578    0.660831576   17.569436665   -0.017578632    0.440686839   -0.567755003
C     1.535086919    1.489677222   17.471120345   -0.015700906    0.446213074   -0.501629761
C     1.752724295    2.480956102   18.409708013   -0.002911763    0.355955122   -0.411664713
H    -0.958411049    1.993270752   20.381590983    0.015090606    0.177261408   -0.430559502
H    -1.350624288    0.193762411   18.704078076   -0.007863065    0.338588219   -0.593904028
H     0.251657217   -0.119638434   16.833076262   -0.027621797    0.511486637   -0.638625344
H     2.239978028    1.353476126   16.656109755   -0.024306741    0.521503904   -0.521148427
H     2.622301275    3.122930476   18.333588563   -0.001457084    0.360214461   -0.360498894
H     2.250811331    5.101060236   20.941477824    0.031400414    0.112797992   -0.173121931
O    -0.945487456    1.370881001   11.162745163    0.032034592   -0.075607422   -0.260851121
O    -2.797446513    1.860492031   12.339388662    0.021977492   -0.181427976   -0.233408528
C    -1.669593730    1.138133147   12.112264213    0.021752954   -0.163659191   -0.289525801
C    -1.434193552    0.081184674   13.110710979    0.008139723   -0.259686803   -0.385418229
C    -0.312012450   -0.751340816   13.004342513    0.006329685   -0.253414190   -0.451824451
C    -0.101665172   -1.750444088   13.943118575   -0.006488330   -0.343664960   -0.542587026
C    -1.000909574   -1.927077826   14.993035027   -0.017578632   -0.440686839   -0.567755003
C    -2.116856915   -1.098232179   15.091351347   -0.015700906   -0.446213074   -0.501629761
C    -2.334494291   -0.106953300   14.152763679   -0.002911763   -0.355955122   -0.411664713
H     0.376641053   -0.594638649   12.180880709    0.015090606   -0.177261408   -0.430559502
H     0.768854292   -2.394146991   13.858393616   -0.007863065   -0.338588219   -0.593904028
H    -0.833427213   -2.707547835   15.729395430   -0.027621797   -0.511486637   -0.638625344
H    -2.821748024   -1.234433276   15.906361937   -0.024306741   -0.521503904   -0.521148427
H    -3.204071271    0.535021074   14.228883129   -0.001457084   -0.360214461   -0.360498894
H    -2.832581327    2.513150835   11.620993868    0.031400414   -0.112797992   -0.173121931
060
Bu, (2.37THz), intensity=1.000
O     1.037573488    1.217028399    0.308587931    0.992394149   -0.057686685    0.426325725
O    -0.814385569    0.727417368    1.485231429    0.737345390   -0.263758270   -0.048623302
C     0.313467214    1.449776252    1.258106980    0.638052779   -0.041741531    0.158625921
C     0.548867392    2.506724725    2.256553747    0.073317197    0.210832244    0.026711471
C     1.671048494    3.339250215    2.150185281   -0.090097926    0.455319638    0.210928289
C     1.881395772    4.338353487    3.088961342   -0.622341831    0.690200211    0.082501434
C     0.982151370    4.514987225    4.138877795   -0.995053527    0.684512533   -0.228217452
C    -0.133795971    3.686141579    4.237194115   -0.829970918    0.439911960   -0.411223999
C    -0.351433347    2.694862699    3.298606447   -0.299637328    0.203343995   -0.286541239
H     2.359701997    3.182548048    1.326723477    0.206521634    0.455845515    0.453020690
H     2.751915236    4.982056390    3.004236384   -0.747911078    0.879422620    0.225815120
H     1.149633731    5.295457234    4.875238197   -1.411777465    0.869337867   -0.327571241
H    -0.838687079    3.822342675    5.052204705   -1.119076983    0.433878395   -0.654347457
H    -1.221010327    2.052888325    3.374725897   -0.171764576    0.012647586   -0.429892644
H    -0.849520383    0.074758564    0.766836635    1.118171722   -0.413732825    0.066732388
O     2.346778404   -1.370881001   10.545569298    0.992394149    0.057686685    0.426325725
O     4.198737461   -1.860492031    9.368925800    0.737345390    0.263758270   -0.048623302
C     3.070884678   -1.138133147    9.596050249    0.638052779    0.041741531    0.158625921
C     2.835484500   -0.081184674    8.597603483    0.073317197   -0.210832244    0.026711471
C     1.713303398    0.751340816    8.703971949   -0.090097926   -0.455319638    0.210928289
C     1.502956120    1.750444088    7.765195887   -0.622341831   -0.690200211    0.082501434
C     2.402200522    1.927077826    6.715279435   -0.995053527   -0.684512533   -0.228217452
C     3.518147863    1.098232179    6.616963115   -0.829970918   -0.439911960   -0.411223999
C     3.735785239    0.106953300    7.555550783   -0.299637328   -0.203343995   -0.286541239
H     1.024649895    0.594638649    9.527433753    0.206521634   -0.455845515    0.453020690
H     0.632436656    2.394146991    7.849920846   -0.747911078   -0.879422620    0.225815120
H     2.234718161    2.707547835    5.978919032   -1.411777465   -0.869337867   -0.327571241
H     4.223038971    1.234433276    5.801952524   -1.119076983   -0.433878395   -0.654347457
H     4.605362219   -0.535021074    7.479431332   -0.171764576   -0.012647586   -0.429892644
H     4.233872275   -2.513150835   10.087320594    1.118171722    0.413732825    0.066732388
O     0.363717460    3.958790402   21.399726529    0.992394149   -0.057686685    0.426325725
O     2.215676517    4.448401432   20.223083030    0.737345390   -0.263758270   -0.048623302
C     1.087823734    3.726042549   20.450207479    0.638052779   -0.041741531    0.158625921
C     0.852423556    2.669094076   19.451760713    0.073317197    0.210832244    0.026711471
C    -0.269757546    1.836568585   19.558129179   -0.090097926    0.455319638    0.210928289
C    -0.480104824    0.837465314   18.619353117   -0.622341831    0.690200211    0.082501434
C     0.419139578    0.660831576   17.569436665   -0.995053527    0.684512533   -0.228217452
C     1.535086919    1.489677222   17.471120345   -0.829970918    0.439911960   -0.411223999
C     1.752724295    2.480956102   18.409708013   -0.299637328    0.203343995   -0.286541239
H    -0.958411049    1.993270752   20.381590983    0.206521634    0.455845515    0.453020690
H    -1.350624288    0.193762411   18.704078076   -0.747911078    0.879422620    0.225815120
H     0.251657217   -0.119638434   16.833076262   -1.411777465    0.869337867   -0.327571241
H     2.239978028    1.353476126   16.656109755   -1.119076983    0.433878395   -0.654347457
H     2.622301275    3.122930476   18.333588563   -0.171764576    0.012647586   -0.429892644
H     2.250811331    5.101060236   20.941477824    1.118171722   -0.413732825    0.066732388
O    -0.945487456    1.370881001   11.162745163    0.992394149    0.057686685    0.426325725
O    -2.797446513    1.860492031   12.339388662    0.737345390    0.263758270   -0.048623302
C    -1.669593730    1.138133147   12.112264213    0.638052779    0.041741531    0.158625921
C    -1.434193552    0.081184674   13.110710979    0.073317197   -0.210832244    0.026711471
C    -0.312012450   -0.751340816   13.004342513   -0.090097926   -0.455319638    0.210928289
C    -0.101665172   -1.750444088   13.943118575   -0.622341831   -0.690200211    0.082501434
C    -1.000909574   -1.927077826   14.993035027   -0.995053527   -0.684512533   -0.228217452
C    -2.116856915   -1.098232179   15.091351347   -0.829970918   -0.439911960   -0.411223999
C    -2.334494291   -0.106953300   14.152763679   -0.299637328   -0.203343995   -0.286541239
H     0.376641053   -0.594638649   12.180880709    0.206521634   -0.455845515    0.453020690
H     0.768854292   -2.394146991   13.858393616   -0.747911078   -0.879422620    0.225815120
H    -0.833427213   -2.707547835   15.729395430   -1.411777465   -0.869337867   -0.327571241
H    -2.821748024   -1.234433276   15.906361937   -1.119076983   -0.433878395   -0.654347457
H    -3.204071271    0.535021074   14.228883129   -0.171764576   -0.012647586   -0.429892644
H    -2.832581327    2.513150835   11.620993868    1.118171722    0.413732825    0.066732388
060
Au, (2.57THz), intensity=0.543
O     1.037573488    1.217028399    0.308587931    0.293491036   -0.769834783    0.339597642
O    -0.814385569    0.727417368    1.485231429    0.106574475   -0.375911559    0.212334564
C     0.313467214    1.449776252    1.258106980    0.126668027   -0.432334109    0.134797517
C     0.548867392    2.506724725    2.256553747   -0.069431800   -0.052061158   -0.212599134
C     1.671048494    3.339250215    2.150185281   -0.072605529   -0.063361366   -0.331336155
C     1.881395772    4.338353487    3.088961342   -0.257121241    0.293905440   -0.661726600
C     0.982151370    4.514987225    4.138877795   -0.439527878    0.664581818   -0.874975699
C    -0.133795971    3.686141579    4.237194115   -0.435083403    0.673022313   -0.756550606
C    -0.351433347    2.694862699    3.298606447   -0.250798841    0.315640507   -0.430219734
H     2.359701997    3.182548048    1.326723477    0.070920691   -0.354510753   -0.160194934
H     2.751915236    4.982056390    3.004236384   -0.259154637    0.284310683   -0.753060933
H     1.149633731    5.295457234    4.875238197   -0.584177213    0.944879373   -1.132545768
H    -0.838687079    3.822342675    5.052204705   -0.576655556    0.960590221   -0.922883426
H    -1.221010327    2.052888325    3.374725897   -0.247351247    0.322033389   -0.339357831
H    -0.849520383    0.074758564    0.766836635    0.244925167   -0.646104638    0.445074309
O     2.346778404   -1.370881001   10.545569298   -0.293491036   -0.769834783   -0.339597642
O     4.198737461   -1.860492031    9.368925800   -0.106574475   -0.375911559   -0.212334564
C     3.070884678   -1.138133147    9.596050249   -0.126668027   -0.432334109   -0.134797517
C     2.835484500   -0.081184674    8.597603483    0.069431800   -0.052061158    0.212599134
C     1.713303398    0.751340816    8.703971949    0.072605529   -0.063361366    0.331336155
C     1.502956120    1.750444088    7.765195887    0.257121241    0.293905440    0.661726600
C     2.402200522    1.927077826    6.715279435    0.439527878    0.664581818    0.874975699
C     3.518147863    1.098232179    6.616963115    0.435083403    0.673022313    0.756550606
C     3.735785239    0.106953300    7.555550783    0.250798841    0.315640507    0.430219734
H     1.024649895    0.594638649    9.527433753   -0.070920691   -0.354510753    0.160194934
H     0.632436656    2.394146991    7.849920846    0.259154637    0.284310683    0.753060933
H     2.234718161    2.707547835    5.978919032    0.584177213    0.944879373    1.132545768
H     4.223038971    1.234433276    5.801952524    0.576655556    0.960590221    0.922883426
H     4.605362219   -0.535021074    7.479431332    0.247351247    0.322033389    0.339357831
H     4.233872275   -2.513150835   10.087320594   -0.244925167   -0.646104638   -0.445074309
O     0.363717460    3.958790402   21.399726529    0.293491036   -0.769834783    0.339597642
O     2.215676517    4.448401432   20.223083030    0.106574475   -0.375911559    0.212334564
C     1.087823734    3.726042549   20.450207479    0.126668027   -0.432334109    0.134797517
C     0.852423556    2.669094076   19.451760713   -0.069431800   -0.052061158   -0.212599134
C    -0.269757546    1.836568585   19.558129179   -0.072605529   -0.063361366   -0.331336155
C    -0.480104824    0.837465314   18.619353117   -0.257121241    0.293905440   -0.661726600
C     0.419139578    0.660831576   17.569436665   -0.439527878    0.664581818   -0.874975699
C     1.535086919    1.489677222   17.471120345   -0.435083403    0.673022313   -0.756550606
C     1.752724295    2.480956102   18.409708013   -0.250798841    0.315640507   -0.430219734
H    -0.958411049    1.993270752   20.381590983    0.070920691   -0.354510753   -0.160194934
H    -1.350624288    0.193762411   18.704078076   -0.259154637    0.284310683   -0.753060933
H     0.251657217   -0.119638434   16.833076262   -0.584177213    0.944879373   -1.132545768
H     2.239978028    1.353476126   16.656109755   -0.576655556    0.960590221   -0.922883426
H     2.622301275    3.122930476   18.333588563   -0.247351247    0.322033389   -0.339357831
H     2.250811331    5.101060236   20.941477824    0.244925167   -0.646104638    0.445074309
O    -0.945487456    1.370881001   11.162745163   -0.293491036   -0.769834783   -0.339597642
O    -2.797446513    1.860492031   12.339388662   -0.106574475   -0.375911559   -0.212334564
C    -1.669593730    1.138133147   12.112264213   -0.126668027   -0.432334109   -0.134797517
C    -1.434193552    0.081184674   13.110710979    0.069431800   -0.052061158    0.212599134
C    -0.312012450   -0.751340816   13.004342513    0.072605529   -0.063361366    0.331336155
C    -0.101665172   -1.750444088   13.943118575    0.257121241    0.293905440    0.661726600
C    -1.000909574   -1.927077826   14.993035027    0.439527878    0.664581818    0.874975699
C    -2.116856915   -1.098232179   15.091351347    0.435083403    0.673022313    0.756550606
C    -2.334494291   -0.106953300   14.152763679    0.250798841    0.315640507    0.430219734
H     0.376641053   -0.594638649   12.180880709   -0.070920691   -0.354510753    0.160194934
H     0.768854292   -2.394146991   13.858393616    0.259154637    0.284310683    0.753060933
H    -0.833427213   -2.707547835   15.729395430    0.584177213    0.944879373    1.132545768
H    -2.821748024   -1.234433276   15.906361937    0.576655556    0.960590221    0.922883426
H    -3.204071271    0.535021074   14.228883129    0.247351247    0.322033389    0.339357831
H    -2.832581327    2.513150835   11.620993868   -0.244925167   -0.646104638   -0.445074309
060
Au, (3.12THz), intensity=0.535
O     1.037573488    1.217028399    0.308587931   -0.957078713   -0.528662129    0.147815901
O    -0.814385569    0.727417368    1.485231429   -0.810202241    0.333361067    0.722532007
C     0.313467214    1.449776252    1.258106980   -0.613207253   -0.109533265    0.303868453
C     0.548867392    2.506724725    2.256553747    0.039898498   -0.026582286    0.069812314
C     1.671048494    3.339250215    2.150185281    0.309542407   -0.447190109   -0.365172311
C     1.881395772    4.338353487    3.088961342    0.925526327   -0.365254031   -0.583172689
C     0.982151370    4.514987225    4.138877795    1.276783933    0.133571569   -0.371181304
C    -0.133795971    3.686141579    4.237194115    1.006253086    0.550591641    0.061536168
C    -0.351433347    2.694862699    3.298606447    0.393129126    0.471303696    0.280211262
H     2.359701997    3.182548048    1.326723477    0.027526766   -0.832454503   -0.524045805
H     2.751915236    4.982056390    3.004236384    1.133332723   -0.691906609   -0.920263964
H     1.149633731    5.295457234    4.875238197    1.758799378    0.196947371   -0.542320086
H    -0.838687079    3.822342675    5.052204705    1.278593434    0.940266712    0.228072093
H    -1.221010327    2.052888325    3.374725897    0.183583713    0.796174852    0.616764916
H    -0.849520383    0.074758564    0.766836635   -1.241418364    0.225496335    0.837572404
O     2.346778404   -1.370881001   10.545569298    0.957078713   -0.528662129   -0.147815901
O     4.198737461   -1.860492031    9.368925800    0.810202241    0.333361067   -0.722532007
C     3.070884678   -1.138133147    9.596050249    0.613207253   -0.109533265   -0.303868453
C     2.835484500   -0.081184674    8.597603483   -0.039898498   -0.026582286   -0.069812314
C     1.713303398    0.751340816    8.703971949   -0.309542407   -0.447190109    0.365172311
C     1.502956120    1.750444088    7.765195887   -0.925526327   -0.365254031    0.583172689
C     2.402200522    1.927077826    6.715279435   -1.276783933    0.133571569    0.371181304
C     3.518147863    1.098232179    6.616963115   -1.006253086    0.550591641   -0.061536168
C     3.735785239    0.106953300    7.555550783   -0.393129126    0.471303696   -0.280211262
H     1.024649895    0.594638649    9.527433753   -0.027526766   -0.832454503    0.524045805
H     0.632436656    2.394146991    7.849920846   -1.133332723   -0.691906609    0.920263964
H     2.234718161    2.707547835    5.978919032   -1.758799378    0.196947371    0.542320086
H     4.223038971    1.234433276    5.801952524   -1.278593434    0.940266712   -0.228072093
H     4.605362219   -0.535021074    7.479431332   -0.183583713    0.796174852   -0.616764916
H     4.233872275   -2.513150835   10.087320594    1.241418364    0.225496335   -0.837572404
O     0.363717460    3.958790402   21.399726529   -0.957078713   -0.528662129    0.147815901
O     2.215676517    4.448401432   20.223083030   -0.810202241    0.333361067    0.722532007
C     1.087823734    3.726042549   20.450207479   -0.613207253   -0.109533265    0.303868453
C     0.852423556    2.669094076   19.451760713    0.039898498   -0.026582286    0.069812314
C    -0.269757546    1.836568585   19.558129179    0.309542407   -0.447190109   -0.365172311
C    -0.480104824    0.837465314   18.619353117    0.925526327   -0.365254031   -0.583172689
C     0.419139578    0.660831576   17.569436665    1.276783933    0.133571569   -0.371181304
C     1.535086919    1.489677222   17.471120345    1.006253086    0.550591641    0.061536168
C     1.752724295    2.480956102   18.409708013    0.393129126    0.471303696    0.280211262
H    -0.958411049    1.993270752   20.381590983    0.027526766   -0.832454503   -0.524045805
H    -1.350624288    0.193762411   18.704078076    1.133332723   -0.691906609   -0.920263964
H     0.251657217   -0.119638434   16.833076262    1.758799378    0.196947371   -0.542320086
H     2.239978028    1.353476126   16.656109755    1.278593434    0.940266712    0.228072093
H     2.622301275    3.122930476   18.333588563    0.183583713    0.796174852    0.616764916
H     2.250811331    5.101060236   20.941477824   -1.241418364    0.225496335    0.837572404
O    -0.945487456    1.370881001   11.162745163    0.957078713   -0.528662129   -0.147815901
O    -2.797446513    1.860492031   12.339388662    0.810202241    0.333361067   -0.722532007
C    -1.669593730    1.138133147   12.112264213    0.613207253   -0.109533265   -0.303868453
C    -1.434193552    0.081184674   13.110710979   -0.039898498   -0.026582286   -0.069812314
C    -0.312012450   -0.751340816   13.004342513   -0.309542407   -0.447190109    0.365172311
C    -0.101665172   -1.750444088   13.943118575   -0.925526327   -0.365254031    0.583172689
C    -1.000909574   -1.927077826   14.993035027   -1.276783933    0.133571569    0.371181304
C    -2.116856915   -1.098232179   15.091351347   -1.006253086    0.550591641   -0.061536168
C    -2.334494291   -0.106953300   14.152763679   -0.393129126    0.471303696   -0.280211262
H     0.376641053   -0.594638649   12.180880709   -0.027526766   -0.832454503    0.524045805
H     0.768854292   -2.394146991   13.858393616   -1.133332723   -0.691906609    0.920263964
H    -0.833427213   -2.707547835   15.729395430   -1.758799378    0.196947371    0.542320086
H    -2.821748024   -1.234433276   15.906361937   -1.278593434    0.940266712   -0.228072093
H    -3.204071271    0.535021074   14.228883129   -0.183583713    0.796174852   -0.616764916
H    -2.832581327    2.513150835   11.620993868    1.241418364    0.225496335   -0.837572404
060
Bu, (3.32THz), intensity=0.257
O     1.037573488    1.217028399    0.308587931    0.569516831    0.666584261   -0.450985252
O    -0.814385569    0.727417368    1.485231429    0.455948088   -0.086294581   -0.930355552
C     0.313467214    1.449776252    1.258106980    0.376628096    0.183255664   -0.479270120
C     0.548867392    2.506724725    2.256553747    0.042830308   -0.164239755   -0.045137836
C     1.671048494    3.339250215    2.150185281   -0.074011994    0.057777628    0.446378827
C     1.881395772    4.338353487    3.088961342   -0.388718991   -0.270721513    0.854814480
C     0.982151370    4.514987225    4.138877795   -0.588985995   -0.821050193    0.777514522
C    -0.133795971    3.686141579    4.237194115   -0.471419603   -1.038953813    0.288375982
C    -0.351433347    2.694862699    3.298606447   -0.158005126   -0.711702941   -0.118282511
H     2.359701997    3.182548048    1.326723477    0.085989106    0.486724546    0.497532771
H     2.751915236    4.982056390    3.004236384   -0.478654611   -0.097640515    1.235307780
H     1.149633731    5.295457234    4.875238197   -0.835319327   -1.078318057    1.097075667
H    -0.838687079    3.822342675    5.052204705   -0.626732108   -1.467256447    0.226937972
H    -1.221010327    2.052888325    3.374725897   -0.066940224   -0.881309774   -0.497973426
H    -0.849520383    0.074758564    0.766836635    0.678732180    0.185378840   -1.180832229
O     2.346778404   -1.370881001   10.545569298    0.569516831   -0.666584261   -0.450985252
O     4.198737461   -1.860492031    9.368925800    0.455948088    0.086294581   -0.930355552
C     3.070884678   -1.138133147    9.596050249    0.376628096   -0.183255664   -0.479270120
C     2.835484500   -0.081184674    8.597603483    0.042830308    0.164239755   -0.045137836
C     1.713303398    0.751340816    8.703971949   -0.074011994   -0.057777628    0.446378827
C     1.502956120    1.750444088    7.765195887   -0.388718991    0.270721513    0.854814480
C     2.402200522    1.927077826    6.715279435   -0.588985995    0.821050193    0.777514522
C     3.518147863    1.098232179    6.616963115   -0.471419603    1.038953813    0.288375982
C     3.735785239    0.106953300    7.555550783   -0.158005126    0.711702941   -0.118282511
H     1.024649895    0.594638649    9.527433753    0.085989106   -0.486724546    0.497532771
H     0.632436656    2.394146991    7.849920846   -0.478654611    0.097640515    1.235307780
H     2.234718161    2.707547835    5.978919032   -0.835319327    1.078318057    1.097075667
H     4.223038971    1.234433276    5.801952524   -0.626732108    1.467256447    0.226937972
H     4.605362219   -0.535021074    7.479431332   -0.066940224    0.881309774   -0.497973426
H     4.233872275   -2.513150835   10.087320594    0.678732180   -0.185378840   -1.180832229
O     0.363717460    3.958790402   21.399726529    0.569516831    0.666584261   -0.450985252
O     2.215676517    4.448401432   20.223083030    0.455948088   -0.086294581   -0.930355552
C     1.087823734    3.726042549   20.450207479    0.376628096    0.183255664   -0.479270120
C     0.852423556    2.669094076   19.451760713    0.042830308   -0.164239755   -0.045137836
C    -0.269757546    1.836568585   19.558129179   -0.074011994    0.057777628    0.446378827
C    -0.480104824    0.837465314   18.619353117   -0.388718991   -0.270721513    0.854814480
C     0.419139578    0.660831576   17.569436665   -0.588985995   -0.821050193    0.777514522
C     1.535086919    1.489677222   17.471120345   -0.471419603   -1.038953813    0.288375982
C     1.752724295    2.480956102   18.409708013   -0.158005126   -0.711702941   -0.118282511
H    -0.958411049    1.993270752   20.381590983    0.085989106    0.486724546    0.497532771
H    -1.350624288    0.193762411   18.704078076   -0.478654611   -0.097640515    1.235307780
H     0.251657217   -0.119638434   16.833076262   -0.835319327   -1.078318057    1.097075667
H     2.239978028    1.353476126   16.656109755   -0.626732108   -1.467256447    0.226937972
H     2.622301275    3.122930476   18.333588563   -0.066940224   -0.881309774   -0.497973426
H     2.250811331    5.101060236   20.941477824    0.678732180    0.185378840   -1.180832229
O    -0.945487456    1.370881001   11.162745163    0.569516831   -0.666584261   -0.450985252
O    -2.797446513    1.860492031   12.339388662    0.455948088    0.086294581   -0.930355552
C    -1.669593730    1.138133147   12.112264213    0.376628096   -0.183255664   -0.479270120
C    -1.434193552    0.081184674   13.110710979    0.042830308    0.164239755   -0.045137836
C    -0.312012450   -0.751340816   13.004342513   -0.074011994   -0.057777628    0.446378827
C    -0.101665172   -1.750444088   13.943118575   -0.388718991    0.270721513    0.854814480
C    -1.000909574   -1.927077826   14.993035027   -0.588985995    0.821050193    0.777514522
C    -2.116856915   -1.098232179   15.091351347   -0.471419603    1.038953813    0.288375982
C    -2.334494291   -0.106953300   14.152763679   -0.158005126    0.711702941   -0.118282511
H     0.376641053   -0.594638649   12.180880709    0.085989106   -0.486724546    0.497532771
H     0.768854292   -2.394146991   13.858393616   -0.478654611    0.097640515    1.235307780
H    -0.833427213   -2.707547835   15.729395430   -0.835319327    1.078318057    1.097075667
H    -2.821748024   -1.234433276   15.906361937   -0.626732108    1.467256447    0.226937972
H    -3.204071271    0.535021074   14.228883129   -0.066940224    0.881309774   -0.497973426
H    -2.832581327    2.513150835   11.620993868    0.678732180   -0.185378840   -1.180832229
060
Ag, (3.40THz), IR inactive
O     1.037573488    1.217028399    0.308587931    0.032689477   -0.556066076    0.501399520
O    -0.814385569    0.727417368    1.485231429   -0.440183197    0.300021696    0.122518509
C     0.313467214    1.449776252    1.258106980   -0.121323274   -0.144470958    0.288453816
C     0.548867392    2.506724725    2.256553747    0.011135848   -0.072992533    0.184643781
C     1.671048494    3.339250215    2.150185281    0.339612770   -0.496464603    0.332365083
C     1.881395772    4.338353487    3.088961342    0.466084697   -0.425276313    0.231263965
C     0.982151370    4.514987225    4.138877795    0.266526769    0.065570077   -0.016013371
C    -0.133795971    3.686141579    4.237194115   -0.058594779    0.485517951   -0.162766302
C    -0.351433347    2.694862699    3.298606447   -0.182277825    0.417001755   -0.064638033
H     2.359701997    3.182548048    1.326723477    0.489543515   -0.875411558    0.525005116
H     2.751915236    4.982056390    3.004236384    0.720683775   -0.754127252    0.346180793
H     1.149633731    5.295457234    4.875238197    0.364565676    0.120506625   -0.094218387
H    -0.838687079    3.822342675    5.052204705   -0.213835031    0.869023432   -0.356252012
H    -1.221010327    2.052888325    3.374725897   -0.434089915    0.744159569   -0.179582843
H    -0.849520383    0.074758564    0.766836635   -0.496403554    0.199933461    0.213621415
O     2.346778404   -1.370881001   10.545569298   -0.032689477   -0.556066076   -0.501399520
O     4.198737461   -1.860492031    9.368925800    0.440183197    0.300021696   -0.122518509
C     3.070884678   -1.138133147    9.596050249    0.121323274   -0.144470958   -0.288453816
C     2.835484500   -0.081184674    8.597603483   -0.011135848   -0.072992533   -0.184643781
C     1.713303398    0.751340816    8.703971949   -0.339612770   -0.496464603   -0.332365083
C     1.502956120    1.750444088    7.765195887   -0.466084697   -0.425276313   -0.231263965
C     2.402200522    1.927077826    6.715279435   -0.266526769    0.065570077    0.016013371
C     3.518147863    1.098232179    6.616963115    0.058594779    0.485517951    0.162766302
C     3.735785239    0.106953300    7.555550783    0.182277825    0.417001755    0.064638033
H     1.024649895    0.594638649    9.527433753   -0.489543515   -0.875411558   -0.525005116
H     0.632436656    2.394146991    7.849920846   -0.720683775   -0.754127252   -0.346180793
H     2.234718161    2.707547835    5.978919032   -0.364565676    0.120506625    0.094218387
H     4.223038971    1.234433276    5.801952524    0.213835031    0.869023432    0.356252012
H     4.605362219   -0.535021074    7.479431332    0.434089915    0.744159569    0.179582843
H     4.233872275   -2.513150835   10.087320594    0.496403554    0.199933461   -0.213621415
O     0.363717460    3.958790402   21.399726529   -0.032689477    0.556066076   -0.501399520
O     2.215676517    4.448401432   20.223083030    0.440183197   -0.300021696   -0.122518509
C     1.087823734    3.726042549   20.450207479    0.121323274    0.144470958   -0.288453816
C     0.852423556    2.669094076   19.451760713   -0.011135848    0.072992533   -0.184643781
C    -0.269757546    1.836568585   19.558129179   -0.339612770    0.496464603   -0.332365083
C    -0.480104824    0.837465314   18.619353117   -0.466084697    0.425276313   -0.231263965
C     0.419139578    0.660831576   17.569436665   -0.266526769   -0.065570077    0.016013371
C     1.535086919    1.489677222   17.471120345    0.058594779   -0.485517951    0.162766302
C     1.752724295    2.480956102   18.409708013    0.182277825   -0.417001755    0.064638033
H    -0.958411049    1.993270752   20.381590983   -0.489543515    0.875411558   -0.525005116
H    -1.350624288    0.193762411   18.704078076   -0.720683775    0.754127252   -0.346180793
H     0.251657217   -0.119638434   16.833076262   -0.364565676   -0.120506625    0.094218387
H     2.239978028    1.353476126   16.656109755    0.213835031   -0.869023432    0.356252012
H     2.622301275    3.122930476   18.333588563    0.434089915   -0.744159569    0.179582843
H     2.250811331    5.101060236   20.941477824    0.496403554   -0.199933461   -0.213621415
O    -0.945487456    1.370881001   11.162745163    0.032689477    0.556066076    0.501399520
O    -2.797446513    1.860492031   12.339388662   -0.440183197   -0.300021696    0.122518509
C    -1.669593730    1.138133147   12.112264213   -0.121323274    0.144470958    0.288453816
C    -1.434193552    0.081184674   13.110710979    0.011135848    0.072992533    0.184643781
C    -0.312012450   -0.751340816   13.004342513    0.339612770    0.496464603    0.332365083
C    -0.101665172   -1.750444088   13.943118575    0.466084697    0.425276313    0.231263965
C    -1.000909574   -1.927077826   14.993035027    0.266526769   -0.065570077   -0.016013371
C    -2.116856915   -1.098232179   15.091351347   -0.058594779   -0.485517951   -0.162766302
C    -2.334494291   -0.106953300   14.152763679   -0.182277825   -0.417001755   -0.064638033
H     0.376641053   -0.594638649   12.180880709    0.489543515    0.875411558    0.525005116
H     0.768854292   -2.394146991   13.858393616    0.720683775    0.754127252    0.346180793
H    -0.833427213   -2.707547835   15.729395430    0.364565676   -0.120506625   -0.094218387
H    -2.821748024   -1.234433276   15.906361937   -0.213835031   -0.869023432   -0.356252012
H    -3.204071271    0.535021074   14.228883129   -0.434089915   -0.744159569   -0.179582843
H    -2.832581327    2.513150835   11.620993868   -0.496403554   -0.199933461    0.213621415
060
Bg, (3.51THz), IR inactive
O     1.037573488    1.217028399    0.308587931    0.787918826   -0.506855635    0.264313986
O    -0.814385569    0.727417368    1.485231429    0.275372226   -0.187466444   -0.392927679
C     0.313467214    1.449776252    1.258106980    0.440328534   -0.330124929   -0.036736644
C     0.548867392    2.506724725    2.256553747    0.160233835   -0.249106603   -0.056546413
C     1.671048494    3.339250215    2.150185281    0.289456897   -0.378376277    0.286039504
C     1.881395772    4.338353487    3.088961342    0.026661250   -0.301044827    0.262674460
C     0.982151370    4.514987225    4.138877795   -0.366169895   -0.095262006   -0.099511835
C    -0.133795971    3.686141579    4.237194115   -0.491850814    0.032499154   -0.440091166
C    -0.351433347    2.694862699    3.298606447   -0.228306225   -0.044045759   -0.420313363
H     2.359701997    3.182548048    1.326723477    0.595648731   -0.538024988    0.565629167
H     2.751915236    4.982056390    3.004236384    0.127548025   -0.401558538    0.528651675
H     1.149633731    5.295457234    4.875238197   -0.572640000   -0.034866270   -0.116558668
H    -0.838687079    3.822342675    5.052204705   -0.796886841    0.192960020   -0.723759301
H    -1.221010327    2.052888325    3.374725897   -0.325639211    0.055457213   -0.686101672
H    -0.849520383    0.074758564    0.766836635    0.488242403   -0.259875800   -0.338551982
O     2.346778404   -1.370881001   10.545569298    0.787918826    0.506855635    0.264313986
O     4.198737461   -1.860492031    9.368925800    0.275372226    0.187466444   -0.392927679
C     3.070884678   -1.138133147    9.596050249    0.440328534    0.330124929   -0.036736644
C     2.835484500   -0.081184674    8.597603483    0.160233835    0.249106603   -0.056546413
C     1.713303398    0.751340816    8.703971949    0.289456897    0.378376277    0.286039504
C     1.502956120    1.750444088    7.765195887    0.026661250    0.301044827    0.262674460
C     2.402200522    1.927077826    6.715279435   -0.366169895    0.095262006   -0.099511835
C     3.518147863    1.098232179    6.616963115   -0.491850814   -0.032499154   -0.440091166
C     3.735785239    0.106953300    7.555550783   -0.228306225    0.044045759   -0.420313363
H     1.024649895    0.594638649    9.527433753    0.595648731    0.538024988    0.565629167
H     0.632436656    2.394146991    7.849920846    0.127548025    0.401558538    0.528651675
H     2.234718161    2.707547835    5.978919032   -0.572640000    0.034866270   -0.116558668
H     4.223038971    1.234433276    5.801952524   -0.796886841   -0.192960020   -0.723759301
H     4.605362219   -0.535021074    7.479431332   -0.325639211   -0.055457213   -0.686101672
H     4.233872275   -2.513150835   10.087320594    0.488242403    0.259875800   -0.338551982
O     0.363717460    3.958790402   21.399726529   -0.787918826    0.506855635   -0.264313986
O     2.215676517    4.448401432   20.223083030   -0.275372226    0.187466444    0.392927679
C     1.087823734    3.726042549   20.450207479   -0.440328534    0.330124929    0.036736644
C     0.852423556    2.669094076   19.451760713   -0.160233835    0.249106603    0.056546413
C    -0.269757546    1.836568585   19.558129179   -0.289456897    0.378376277   -0.286039504
C    -0.480104824    0.837465314   18.619353117   -0.026661250    0.301044827   -0.262674460
C     0.419139578    0.660831576   17.569436665    0.366169895    0.095262006    0.099511835
C     1.535086919    1.489677222   17.471120345    0.491850814   -0.032499154    0.440091166
C     1.752724295    2.480956102   18.409708013    0.228306225    0.044045759    0.420313363
H    -0.958411049    1.993270752   20.381590983   -0.595648731    0.538024988   -0.565629167
H    -1.350624288    0.193762411   18.704078076   -0.127548025    0.401558538   -0.528651675
H     0.251657217   -0.119638434   16.833076262    0.572640000    0.034866270    0.116558668
H     2.239978028    1.353476126   16.656109755    0.796886841   -0.192960020    0.723759301
H     2.622301275    3.122930476   18.333588563    0.325639211   -0.055457213    0.686101672
H     2.250811331    5.101060236   20.941477824   -0.488242403    0.259875800    0.338551982
O    -0.945487456    1.370881001   11.162745163   -0.787918826   -0.506855635   -0.264313986
O    -2.797446513    1.860492031   12.339388662   -0.275372226   -0.187466444    0.392927679
C    -1.669593730    1.138133147   12.112264213   -0.440328534   -0.330124929    0.036736644
C    -1.434193552    0.081184674   13.110710979   -0.160233835   -0.249106603    0.056546413
C    -0.312012450   -0.751340816   13.004342513   -0.289456897   -0.378376277   -0.286039504
C    -0.101665172   -1.750444088   13.943118575   -0.026661250   -0.301044827   -0.262674460
C    -1.000909574   -1.927077826   14.993035027    0.366169895   -0.095262006    0.099511835
C    -2.116856915   -1.098232179   15.091351347    0.491850814    0.032499154    0.440091166
C    -2.334494291   -0.106953300   14.152763679    0.228306225   -0.044045759    0.420313363
H     0.376641053   -0.594638649   12.180880709   -0.595648731   -0.538024988   -0.565629167
H     0.768854292   -2.394146991   13.858393616   -0.127548025   -0.401558538   -0.528651675
H    -0.833427213   -2.707547835   15.729395430    0.572640000   -0.034866270    0.116558668
H    -2.821748024   -1.234433276   15.906361937    0.796886841    0.192960020    0.723759301
H    -3.204071271    0.535021074   14.228883129    0.325639211    0.055457213    0.686101672
H    -2.832581327    2.513150835   11.620993868   -0.488242403   -0.259875800    0.338551982
060
Bg, (3.69THz), IR inactive
O     1.037573488    1.217028399    0.308587931   -0.943403267   -0.090758655   -0.011926273
O    -0.814385569    0.727417368    1.485231429   -1.092274480    0.674201442    0.069546011
C     0.313467214    1.449776252    1.258106980   -0.799015504    0.201973205    0.025732185
C     0.548867392    2.506724725    2.256553747   -0.304992570    0.089814635    0.028984996
C     1.671048494    3.339250215    2.150185281    0.040572993   -0.381594009   -0.013052842
C     1.881395772    4.338353487    3.088961342    0.507313514   -0.482421631   -0.009400373
C     0.982151370    4.514987225    4.138877795    0.632958019   -0.117206761    0.035828655
C    -0.133795971    3.686141579    4.237194115    0.288549959    0.351680193    0.077619380
C    -0.351433347    2.694862699    3.298606447   -0.174884837    0.455576793    0.074419397
H     2.359701997    3.182548048    1.326723477   -0.065625179   -0.661027983   -0.047982521
H     2.751915236    4.982056390    3.004236384    0.774381319   -0.848082881   -0.042039728
H     1.149633731    5.295457234    4.875238197    0.997709112   -0.197343117    0.038531784
H    -0.838687079    3.822342675    5.052204705    0.385698386    0.638065187    0.113041641
H    -1.221010327    2.052888325    3.374725897   -0.441644256    0.820952842    0.107036516
H    -0.849520383    0.074758564    0.766836635   -1.402300261    0.698344237    0.062289947
O     2.346778404   -1.370881001   10.545569298   -0.943403267    0.090758655   -0.011926273
O     4.198737461   -1.860492031    9.368925800   -1.092274480   -0.674201442    0.069546011
C     3.070884678   -1.138133147    9.596050249   -0.799015504   -0.201973205    0.025732185
C     2.835484500   -0.081184674    8.597603483   -0.304992570   -0.089814635    0.028984996
C     1.713303398    0.751340816    8.703971949    0.040572993    0.381594009   -0.013052842
C     1.502956120    1.750444088    7.765195887    0.507313514    0.482421631   -0.009400373
C     2.402200522    1.927077826    6.715279435    0.632958019    0.117206761    0.035828655
C     3.518147863    1.098232179    6.616963115    0.288549959   -0.351680193    0.077619380
C     3.735785239    0.106953300    7.555550783   -0.174884837   -0.455576793    0.074419397
H     1.024649895    0.594638649    9.527433753   -0.065625179    0.661027983   -0.047982521
H     0.632436656    2.394146991    7.849920846    0.774381319    0.848082881   -0.042039728
H     2.234718161    2.707547835    5.978919032    0.997709112    0.197343117    0.038531784
H     4.223038971    1.234433276    5.801952524    0.385698386   -0.638065187    0.113041641
H     4.605362219   -0.535021074    7.479431332   -0.441644256   -0.820952842    0.107036516
H     4.233872275   -2.513150835   10.087320594   -1.402300261   -0.698344237    0.062289947
O     0.363717460    3.958790402   21.399726529    0.943403267    0.090758655    0.011926273
O     2.215676517    4.448401432   20.223083030    1.092274480   -0.674201442   -0.069546011
C     1.087823734    3.726042549   20.450207479    0.799015504   -0.201973205   -0.025732185
C     0.852423556    2.669094076   19.451760713    0.304992570   -0.089814635   -0.028984996
C    -0.269757546    1.836568585   19.558129179   -0.040572993    0.381594009    0.013052842
C    -0.480104824    0.837465314   18.619353117   -0.507313514    0.482421631    0.009400373
C     0.419139578    0.660831576   17.569436665   -0.632958019    0.117206761   -0.035828655
C     1.535086919    1.489677222   17.471120345   -0.288549959   -0.351680193   -0.077619380
C     1.752724295    2.480956102   18.409708013    0.174884837   -0.455576793   -0.074419397
H    -0.958411049    1.993270752   20.381590983    0.065625179    0.661027983    0.047982521
H    -1.350624288    0.193762411   18.704078076   -0.774381319    0.848082881    0.042039728
H     0.251657217   -0.119638434   16.833076262   -0.997709112    0.197343117   -0.038531784
H     2.239978028    1.353476126   16.656109755   -0.385698386   -0.638065187   -0.113041641
H     2.622301275    3.122930476   18.333588563    0.441644256   -0.820952842   -0.107036516
H     2.250811331    5.101060236   20.941477824    1.402300261   -0.698344237   -0.062289947
O    -0.945487456    1.370881001   11.162745163    0.943403267   -0.090758655    0.011926273
O    -2.797446513    1.860492031   12.339388662    1.092274480    0.674201442   -0.069546011
C    -1.669593730    1.138133147   12.112264213    0.799015504    0.201973205   -0.025732185
C    -1.434193552    0.081184674   13.110710979    0.304992570    0.089814635   -0.028984996
C    -0.312012450   -0.751340816   13.004342513   -0.040572993   -0.381594009    0.013052842
C    -0.101665172   -1.750444088   13.943118575   -0.507313514   -0.482421631    0.009400373
C    -1.000909574   -1.927077826   14.993035027   -0.632958019   -0.117206761   -0.035828655
C    -2.116856915   -1.098232179   15.091351347   -0.288549959    0.351680193   -0.077619380
C    -2.334494291   -0.106953300   14.152763679    0.174884837    0.455576793   -0.074419397
H     0.376641053   -0.594638649   12.180880709    0.065625179   -0.661027983    0.047982521
H     0.768854292   -2.394146991   13.858393616   -0.774381319   -0.848082881    0.042039728
H    -0.833427213   -2.707547835   15.729395430   -0.997709112   -0.197343117   -0.038531784
H    -2.821748024   -1.234433276   15.906361937   -0.385698386    0.638065187   -0.113041641
H    -3.204071271    0.535021074   14.228883129    0.441644256    0.820952842   -0.107036516
H    -2.832581327    2.513150835   11.620993868    1.402300261    0.698344237   -0.062289947
060
Ag, (3.82THz), IR inactive
O     1.037573488    1.217028399    0.308587931   -1.256575839    0.207726781   -0.289816744
O    -0.814385569    0.727417368    1.485231429   -1.037375247    0.554302896    0.187044568
C     0.313467214    1.449776252    1.258106980   -0.913333990    0.283288751   -0.052225508
C     0.548867392    2.506724725    2.256553747   -0.337205758    0.098630866    0.007087565
C     1.671048494    3.339250215    2.150185281   -0.148165743   -0.185670404   -0.217266683
C     1.881395772    4.338353487    3.088961342    0.394941069   -0.356382055   -0.157688661
C     0.982151370    4.514987225    4.138877795    0.753087338   -0.246712536    0.123816237
C    -0.133795971    3.686141579    4.237194115    0.562634508    0.036923265    0.346806234
C    -0.351433347    2.694862699    3.298606447    0.021656685    0.209543400    0.290271093
H     2.359701997    3.182548048    1.326723477   -0.433877331   -0.267278095   -0.435427685
H     2.751915236    4.982056390    3.004236384    0.540369587   -0.576654818   -0.331984344
H     1.149633731    5.295457234    4.875238197    1.178240805   -0.381275521    0.169444713
H    -0.838687079    3.822342675    5.052204705    0.840408054    0.123868295    0.567194096
H    -1.221010327    2.052888325    3.374725897   -0.125865757    0.430620425    0.464496297
H    -0.849520383    0.074758564    0.766836635   -1.423336738    0.651599179    0.118525612
O     2.346778404   -1.370881001   10.545569298    1.256575839    0.207726781    0.289816744
O     4.198737461   -1.860492031    9.368925800    1.037375247    0.554302896   -0.187044568
C     3.070884678   -1.138133147    9.596050249    0.913333990    0.283288751    0.052225508
C     2.835484500   -0.081184674    8.597603483    0.337205758    0.098630866   -0.007087565
C     1.713303398    0.751340816    8.703971949    0.148165743   -0.185670404    0.217266683
C     1.502956120    1.750444088    7.765195887   -0.394941069   -0.356382055    0.157688661
C     2.402200522    1.927077826    6.715279435   -0.753087338   -0.246712536   -0.123816237
C     3.518147863    1.098232179    6.616963115   -0.562634508    0.036923265   -0.346806234
C     3.735785239    0.106953300    7.555550783   -0.021656685    0.209543400   -0.290271093
H     1.024649895    0.594638649    9.527433753    0.433877331   -0.267278095    0.435427685
H     0.632436656    2.394146991    7.849920846   -0.540369587   -0.576654818    0.331984344
H     2.234718161    2.707547835    5.978919032   -1.178240805   -0.381275521   -0.169444713
H     4.223038971    1.234433276    5.801952524   -0.840408054    0.123868295   -0.567194096
H     4.605362219   -0.535021074    7.479431332    0.125865757    0.430620425   -0.464496297
H     4.233872275   -2.513150835   10.087320594    1.423336738    0.651599179   -0.118525612
O     0.363717460    3.958790402   21.399726529    1.256575839   -0.207726781    0.289816744
O     2.215676517    4.448401432   20.223083030    1.037375247   -0.554302896   -0.187044568
C     1.087823734    3.726042549   20.450207479    0.913333990   -0.283288751    0.052225508
C     0.852423556    2.669094076   19.451760713    0.337205758   -0.098630866   -0.007087565
C    -0.269757546    1.836568585   19.558129179    0.148165743    0.185670404    0.217266683
C    -0.480104824    0.837465314   18.619353117   -0.394941069    0.356382055    0.157688661
C     0.419139578    0.660831576   17.569436665   -0.753087338    0.246712536   -0.123816237
C     1.535086919    1.489677222   17.471120345   -0.562634508   -0.036923265   -0.346806234
C     1.752724295    2.480956102   18.409708013   -0.021656685   -0.209543400   -0.290271093
H    -0.958411049    1.993270752   20.381590983    0.433877331    0.267278095    0.435427685
H    -1.350624288    0.193762411   18.704078076   -0.540369587    0.576654818    0.331984344
H     0.251657217   -0.119638434   16.833076262   -1.178240805    0.381275521   -0.169444713
H     2.239978028    1.353476126   16.656109755   -0.840408054   -0.123868295   -0.567194096
H     2.622301275    3.122930476   18.333588563    0.125865757   -0.430620425   -0.464496297
H     2.250811331    5.101060236   20.941477824    1.423336738   -0.651599179   -0.118525612
O    -0.945487456    1.370881001   11.162745163   -1.256575839   -0.207726781   -0.289816744
O    -2.797446513    1.860492031   12.339388662   -1.037375247   -0.554302896    0.187044568
C    -1.669593730    1.138133147   12.112264213   -0.913333990   -0.283288751   -0.052225508
C    -1.434193552    0.081184674   13.110710979   -0.337205758   -0.098630866    0.007087565
C    -0.312012450   -0.751340816   13.004342513   -0.148165743    0.185670404   -0.217266683
C    -0.101665172   -1.750444088   13.943118575    0.394941069    0.356382055   -0.157688661
C    -1.000909574   -1.927077826   14.993035027    0.753087338    0.246712536    0.123816237
C    -2.116856915   -1.098232179   15.091351347    0.562634508   -0.036923265    0.346806234
C    -2.334494291   -0.106953300   14.152763679    0.021656685   -0.209543400    0.290271093
H     0.376641053   -0.594638649   12.180880709   -0.433877331    0.267278095   -0.435427685
H     0.768854292   -2.394146991   13.858393616    0.540369587    0.576654818   -0.331984344
H    -0.833427213   -2.707547835   15.729395430    1.178240805    0.381275521    0.169444713
H    -2.821748024   -1.234433276   15.906361937    0.840408054   -0.123868295    0.567194096
H    -3.204071271    0.535021074   14.228883129   -0.125865757   -0.430620425    0.464496297
H    -2.832581327    2.513150835   11.620993868   -1.423336738   -0.651599179    0.118525612
060
Au, (3.80THz), intensity=0.004
O     1.037573488    1.217028399    0.308587931    0.270446758    0.134466880   -0.064184065
O    -0.814385569    0.727417368    1.485231429   -0.297015196    0.577456668   -0.755627232
C     0.313467214    1.449776252    1.258106980    0.019790299    0.237627038   -0.275482859
C     0.548867392    2.506724725    2.256553747    0.024348545    0.017027102   -0.049117253
C     1.671048494    3.339250215    2.150185281    0.335873723   -0.338211609    0.444463553
C     1.881395772    4.338353487    3.088961342    0.341916407   -0.542001427    0.654356863
C     0.982151370    4.514987225    4.138877795    0.038107790   -0.395391542    0.376302610
C    -0.133795971    3.686141579    4.237194115   -0.269425361   -0.041058412   -0.114663177
C    -0.351433347    2.694862699    3.298606447   -0.272949988    0.165111096   -0.325909168
H     2.359701997    3.182548048    1.326723477    0.568157237   -0.447708001    0.654413493
H     2.751915236    4.982056390    3.004236384    0.583641415   -0.817257501    1.036951435
H     1.149633731    5.295457234    4.875238197    0.041787848   -0.556062730    0.541325939
H    -0.838687079    3.822342675    5.052204705   -0.505561957    0.075007894   -0.332931906
H    -1.221010327    2.052888325    3.374725897   -0.511136293    0.441287571   -0.707938750
H    -0.849520383    0.074758564    0.766836635   -0.264697856    0.691865423   -0.858311842
O     2.346778404   -1.370881001   10.545569298   -0.270446758    0.134466880    0.064184065
O     4.198737461   -1.860492031    9.368925800    0.297015196    0.577456668    0.755627232
C     3.070884678   -1.138133147    9.596050249   -0.019790299    0.237627038    0.275482859
C     2.835484500   -0.081184674    8.597603483   -0.024348545    0.017027102    0.049117253
C     1.713303398    0.751340816    8.703971949   -0.335873723   -0.338211609   -0.444463553
C     1.502956120    1.750444088    7.765195887   -0.341916407   -0.542001427   -0.654356863
C     2.402200522    1.927077826    6.715279435   -0.038107790   -0.395391542   -0.376302610
C     3.518147863    1.098232179    6.616963115    0.269425361   -0.041058412    0.114663177
C     3.735785239    0.106953300    7.555550783    0.272949988    0.165111096    0.325909168
H     1.024649895    0.594638649    9.527433753   -0.568157237   -0.447708001   -0.654413493
H     0.632436656    2.394146991    7.849920846   -0.583641415   -0.817257501   -1.036951435
H     2.234718161    2.707547835    5.978919032   -0.041787848   -0.556062730   -0.541325939
H     4.223038971    1.234433276    5.801952524    0.505561957    0.075007894    0.332931906
H     4.605362219   -0.535021074    7.479431332    0.511136293    0.441287571    0.707938750
H     4.233872275   -2.513150835   10.087320594    0.264697856    0.691865423    0.858311842
O     0.363717460    3.958790402   21.399726529    0.270446758    0.134466880   -0.064184065
O     2.215676517    4.448401432   20.223083030   -0.297015196    0.577456668   -0.755627232
C     1.087823734    3.726042549   20.450207479    0.019790299    0.237627038   -0.275482859
C     0.852423556    2.669094076   19.451760713    0.024348545    0.017027102   -0.049117253
C    -0.269757546    1.836568585   19.558129179    0.335873723   -0.338211609    0.444463553
C    -0.480104824    0.837465314   18.619353117    0.341916407   -0.542001427    0.654356863
C     0.419139578    0.660831576   17.569436665    0.038107790   -0.395391542    0.376302610
C     1.535086919    1.489677222   17.471120345   -0.269425361   -0.041058412   -0.114663177
C     1.752724295    2.480956102   18.409708013   -0.272949988    0.165111096   -0.325909168
H    -0.958411049    1.993270752   20.381590983    0.568157237   -0.447708001    0.654413493
H    -1.350624288    0.193762411   18.704078076    0.583641415   -0.817257501    1.036951435
H     0.251657217   -0.119638434   16.833076262    0.041787848   -0.556062730    0.541325939
H     2.239978028    1.353476126   16.656109755   -0.505561957    0.075007894   -0.332931906
H     2.622301275    3.122930476   18.333588563   -0.511136293    0.441287571   -0.707938750
H     2.250811331    5.101060236   20.941477824   -0.264697856    0.691865423   -0.858311842
O    -0.945487456    1.370881001   11.162745163   -0.270446758    0.134466880    0.064184065
O    -2.797446513    1.860492031   12.339388662    0.297015196    0.577456668    0.755627232
C    -1.669593730    1.138133147   12.112264213   -0.019790299    0.237627038    0.275482859
C    -1.434193552    0.081184674   13.110710979   -0.024348545    0.017027102    0.049117253
C    -0.312012450   -0.751340816   13.004342513   -0.335873723   -0.338211609   -0.444463553
C    -0.101665172   -1.750444088   13.943118575   -0.341916407   -0.542001427   -0.654356863
C    -1.000909574   -1.927077826   14.993035027   -0.038107790   -0.395391542   -0.376302610
C    -2.116856915   -1.098232179   15.091351347    0.269425361   -0.041058412    0.114663177
C    -2.334494291   -0.106953300   14.152763679    0.272949988    0.165111096    0.325909168
H     0.376641053   -0.594638649   12.180880709   -0.568157237   -0.447708001   -0.654413493
H     0.768854292   -2.394146991   13.858393616   -0.583641415   -0.817257501   -1.036951435
H    -0.833427213   -2.707547835   15.729395430   -0.041787848   -0.556062730   -0.541325939
H    -2.821748024   -1.234433276   15.906361937    0.505561957    0.075007894    0.332931906
H    -3.204071271    0.535021074   14.228883129    0.511136293    0.441287571    0.707938750
H    -2.832581327    2.513150835   11.620993868    0.264697856    0.691865423    0.858311842
060
Bu, (3.82THz), intensity=0.159
O     1.037573488    1.217028399    0.308587931   -0.085377935    0.056705585   -0.086787295
O    -0.814385569    0.727417368    1.485231429    0.465433117   -0.614402515    0.486667018
C     0.313467214    1.449776252    1.258106980    0.113789917   -0.183850177    0.118961240
C     0.548867392    2.506724725    2.256553747    0.005864915   -0.047312053    0.002760092
C     1.671048494    3.339250215    2.150185281   -0.351928940    0.386413389   -0.368059083
C     1.881395772    4.338353487    3.088961342   -0.455483351    0.510499491   -0.474283210
C     0.982151370    4.514987225    4.138877795   -0.203715112    0.205992213   -0.213876098
C    -0.133795971    3.686141579    4.237194115    0.150180707   -0.225656856    0.154920142
C    -0.351433347    2.694862699    3.298606447    0.250735435   -0.352583028    0.262966788
H     2.359701997    3.182548048    1.326723477   -0.542295582    0.618742408   -0.566545668
H     2.751915236    4.982056390    3.004236384   -0.732885277    0.846858495   -0.761849611
H     1.149633731    5.295457234    4.875238197   -0.283687204    0.304296001   -0.297795023
H    -0.838687079    3.822342675    5.052204705    0.345975653   -0.464707602    0.359140330
H    -1.221010327    2.052888325    3.374725897    0.524832697   -0.688957828    0.550170597
H    -0.849520383    0.074758564    0.766836635    0.500954323   -0.660192038    0.525560072
O     2.346778404   -1.370881001   10.545569298   -0.085377935   -0.056705585   -0.086787295
O     4.198737461   -1.860492031    9.368925800    0.465433117    0.614402515    0.486667018
C     3.070884678   -1.138133147    9.596050249    0.113789917    0.183850177    0.118961240
C     2.835484500   -0.081184674    8.597603483    0.005864915    0.047312053    0.002760092
C     1.713303398    0.751340816    8.703971949   -0.351928940   -0.386413389   -0.368059083
C     1.502956120    1.750444088    7.765195887   -0.455483351   -0.510499491   -0.474283210
C     2.402200522    1.927077826    6.715279435   -0.203715112   -0.205992213   -0.213876098
C     3.518147863    1.098232179    6.616963115    0.150180707    0.225656856    0.154920142
C     3.735785239    0.106953300    7.555550783    0.250735435    0.352583028    0.262966788
H     1.024649895    0.594638649    9.527433753   -0.542295582   -0.618742408   -0.566545668
H     0.632436656    2.394146991    7.849920846   -0.732885277   -0.846858495   -0.761849611
H     2.234718161    2.707547835    5.978919032   -0.283687204   -0.304296001   -0.297795023
H     4.223038971    1.234433276    5.801952524    0.345975653    0.464707602    0.359140330
H     4.605362219   -0.535021074    7.479431332    0.524832697    0.688957828    0.550170597
H     4.233872275   -2.513150835   10.087320594    0.500954323    0.660192038    0.525560072
O     0.363717460    3.958790402   21.399726529   -0.085377935    0.056705585   -0.086787295
O     2.215676517    4.448401432   20.223083030    0.465433117   -0.614402515    0.486667018
C     1.087823734    3.726042549   20.450207479    0.113789917   -0.183850177    0.118961240
C     0.852423556    2.669094076   19.451760713    0.005864915   -0.047312053    0.002760092
C    -0.269757546    1.836568585   19.558129179   -0.351928940    0.386413389   -0.368059083
C    -0.480104824    0.837465314   18.619353117   -0.455483351    0.510499491   -0.474283210
C     0.419139578    0.660831576   17.569436665   -0.203715112    0.205992213   -0.213876098
C     1.535086919    1.489677222   17.471120345    0.150180707   -0.225656856    0.154920142
C     1.752724295    2.480956102   18.409708013    0.250735435   -0.352583028    0.262966788
H    -0.958411049    1.993270752   20.381590983   -0.542295582    0.618742408   -0.566545668
H    -1.350624288    0.193762411   18.704078076   -0.732885277    0.846858495   -0.761849611
H     0.251657217   -0.119638434   16.833076262   -0.283687204    0.304296001   -0.297795023
H     2.239978028    1.353476126   16.656109755    0.345975653   -0.464707602    0.359140330
H     2.622301275    3.122930476   18.333588563    0.524832697   -0.688957828    0.550170597
H     2.250811331    5.101060236   20.941477824    0.500954323   -0.660192038    0.525560072
O    -0.945487456    1.370881001   11.162745163   -0.085377935   -0.056705585   -0.086787295
O    -2.797446513    1.860492031   12.339388662    0.465433117    0.614402515    0.486667018
C    -1.669593730    1.138133147   12.112264213    0.113789917    0.183850177    0.118961240
C    -1.434193552    0.081184674   13.110710979    0.005864915    0.047312053    0.002760092
C    -0.312012450   -0.751340816   13.004342513   -0.351928940   -0.386413389   -0.368059083
C    -0.101665172   -1.750444088   13.943118575   -0.455483351   -0.510499491   -0.474283210
C    -1.000909574   -1.927077826   14.993035027   -0.203715112   -0.205992213   -0.213876098
C    -2.116856915   -1.098232179   15.091351347    0.150180707    0.225656856    0.154920142
C    -2.334494291   -0.106953300   14.152763679    0.250735435    0.352583028    0.262966788
H     0.376641053   -0.594638649   12.180880709   -0.542295582   -0.618742408   -0.566545668
H     0.768854292   -2.394146991   13.858393616   -0.732885277   -0.846858495   -0.761849611
H    -0.833427213   -2.707547835   15.729395430   -0.283687204   -0.304296001   -0.297795023
H    -2.821748024   -1.234433276   15.906361937    0.345975653    0.464707602    0.359140330
H    -3.204071271    0.535021074   14.228883129    0.524832697    0.688957828    0.550170597
H    -2.832581327    2.513150835   11.620993868    0.500954323    0.660192038    0.525560072
060
Ag, (4.01THz), IR inactive
O     1.037573488    1.217028399    0.308587931    0.003492991   -0.114942259   -0.468495536
O    -0.814385569    0.727417368    1.485231429   -0.121523300   -0.093586586   -0.651717492
C     0.313467214    1.449776252    1.258106980   -0.056039451   -0.148448148   -0.504834317
C     0.548867392    2.506724725    2.256553747   -0.065144917   -0.249334294   -0.398766224
C     1.671048494    3.339250215    2.150185281   -0.001925779   -0.314148718   -0.243149479
C     1.881395772    4.338353487    3.088961342   -0.010136562   -0.408282073   -0.143819820
C     0.982151370    4.514987225    4.138877795   -0.081280393   -0.438838254   -0.198302361
C    -0.133795971    3.686141579    4.237194115   -0.143622317   -0.373745828   -0.353132206
C    -0.351433347    2.694862699    3.298606447   -0.134911048   -0.279148434   -0.452368934
H     2.359701997    3.182548048    1.326723477    0.052676674   -0.289087548   -0.203210595
H     2.751915236    4.982056390    3.004236384    0.038939689   -0.458372083   -0.023278286
H     1.149633731    5.295457234    4.875238197   -0.087932219   -0.512838862   -0.120466456
H    -0.838687079    3.822342675    5.052204705   -0.198908727   -0.397014833   -0.396026366
H    -1.221010327    2.052888325    3.374725897   -0.183194977   -0.228384602   -0.572692477
H    -0.849520383    0.074758564    0.766836635   -0.107869856   -0.029839142   -0.708734326
O     2.346778404   -1.370881001   10.545569298   -0.003492991   -0.114942259    0.468495536
O     4.198737461   -1.860492031    9.368925800    0.121523300   -0.093586586    0.651717492
C     3.070884678   -1.138133147    9.596050249    0.056039451   -0.148448148    0.504834317
C     2.835484500   -0.081184674    8.597603483    0.065144917   -0.249334294    0.398766224
C     1.713303398    0.751340816    8.703971949    0.001925779   -0.314148718    0.243149479
C     1.502956120    1.750444088    7.765195887    0.010136562   -0.408282073    0.143819820
C     2.402200522    1.927077826    6.715279435    0.081280393   -0.438838254    0.198302361
C     3.518147863    1.098232179    6.616963115    0.143622317   -0.373745828    0.353132206
C     3.735785239    0.106953300    7.555550783    0.134911048   -0.279148434    0.452368934
H     1.024649895    0.594638649    9.527433753   -0.052676674   -0.289087548    0.203210595
H     0.632436656    2.394146991    7.849920846   -0.038939689   -0.458372083    0.023278286
H     2.234718161    2.707547835    5.978919032    0.087932219   -0.512838862    0.120466456
H     4.223038971    1.234433276    5.801952524    0.198908727   -0.397014833    0.396026366
H     4.605362219   -0.535021074    7.479431332    0.183194977   -0.228384602    0.572692477
H     4.233872275   -2.513150835   10.087320594    0.107869856   -0.029839142    0.708734326
O     0.363717460    3.958790402   21.399726529   -0.003492991    0.114942259    0.468495536
O     2.215676517    4.448401432   20.223083030    0.121523300    0.093586586    0.651717492
C     1.087823734    3.726042549   20.450207479    0.056039451    0.148448148    0.504834317
C     0.852423556    2.669094076   19.451760713    0.065144917    0.249334294    0.398766224
C    -0.269757546    1.836568585   19.558129179    0.001925779    0.314148718    0.243149479
C    -0.480104824    0.837465314   18.619353117    0.010136562    0.408282073    0.143819820
C     0.419139578    0.660831576   17.569436665    0.081280393    0.438838254    0.198302361
C     1.535086919    1.489677222   17.471120345    0.143622317    0.373745828    0.353132206
C     1.752724295    2.480956102   18.409708013    0.134911048    0.279148434    0.452368934
H    -0.958411049    1.993270752   20.381590983   -0.052676674    0.289087548    0.203210595
H    -1.350624288    0.193762411   18.704078076   -0.038939689    0.458372083    0.023278286
H     0.251657217   -0.119638434   16.833076262    0.087932219    0.512838862    0.120466456
H     2.239978028    1.353476126   16.656109755    0.198908727    0.397014833    0.396026366
H     2.622301275    3.122930476   18.333588563    0.183194977    0.228384602    0.572692477
H     2.250811331    5.101060236   20.941477824    0.107869856    0.029839142    0.708734326
O    -0.945487456    1.370881001   11.162745163    0.003492991    0.114942259   -0.468495536
O    -2.797446513    1.860492031   12.339388662   -0.121523300    0.093586586   -0.651717492
C    -1.669593730    1.138133147   12.112264213   -0.056039451    0.148448148   -0.504834317
C    -1.434193552    0.081184674   13.110710979   -0.065144917    0.249334294   -0.398766224
C    -0.312012450   -0.751340816   13.004342513   -0.001925779    0.314148718   -0.243149479
C    -0.101665172   -1.750444088   13.943118575   -0.010136562    0.408282073   -0.143819820
C    -1.000909574   -1.927077826   14.993035027   -0.081280393    0.438838254   -0.198302361
C    -2.116856915   -1.098232179   15.091351347   -0.143622317    0.373745828   -0.353132206
C    -2.334494291   -0.106953300   14.152763679   -0.134911048    0.279148434   -0.452368934
H     0.376641053   -0.594638649   12.180880709    0.052676674    0.289087548   -0.203210595
H     0.768854292   -2.394146991   13.858393616    0.038939689    0.458372083   -0.023278286
H    -0.833427213   -2.707547835   15.729395430   -0.087932219    0.512838862   -0.120466456
H    -2.821748024   -1.234433276   15.906361937   -0.198908727    0.397014833   -0.396026366
H    -3.204071271    0.535021074   14.228883129   -0.183194977    0.228384602   -0.572692477
H    -2.832581327    2.513150835   11.620993868   -0.107869856    0.029839142   -0.708734326
060
Bg, (4.14THz), IR inactive
O     1.037573488    1.217028399    0.308587931    0.320282347    0.177420377    0.458711933
O    -0.814385569    0.727417368    1.485231429    0.205725521    0.282598436    0.325507822
C     0.313467214    1.449776252    1.258106980    0.229639646    0.260085722    0.371474505
C     0.548867392    2.506724725    2.256553747    0.136656722    0.344150512    0.305966223
C     1.671048494    3.339250215    2.150185281    0.149274449    0.331902881    0.342272744
C     1.881395772    4.338353487    3.088961342    0.061863783    0.410975180    0.279211042
C     0.982151370    4.514987225    4.138877795   -0.038594648    0.502663990    0.180189727
C    -0.133795971    3.686141579    4.237194115   -0.050427482    0.514210333    0.144164507
C    -0.351433347    2.694862699    3.298606447    0.036987518    0.435174940    0.205896888
H     2.359701997    3.182548048    1.326723477    0.228013051    0.260038000    0.419879886
H     2.751915236    4.982056390    3.004236384    0.071858365    0.401286581    0.307551028
H     1.149633731    5.295457234    4.875238197   -0.107167338    0.564679850    0.131223572
H    -0.838687079    3.822342675    5.052204705   -0.128412197    0.585404533    0.066732775
H    -1.221010327    2.052888325    3.374725897    0.027825445    0.444130468    0.177504081
H    -0.849520383    0.074758564    0.766836635    0.272937281    0.221727604    0.376301390
O     2.346778404   -1.370881001   10.545569298    0.320282347   -0.177420377    0.458711933
O     4.198737461   -1.860492031    9.368925800    0.205725521   -0.282598436    0.325507822
C     3.070884678   -1.138133147    9.596050249    0.229639646   -0.260085722    0.371474505
C     2.835484500   -0.081184674    8.597603483    0.136656722   -0.344150512    0.305966223
C     1.713303398    0.751340816    8.703971949    0.149274449   -0.331902881    0.342272744
C     1.502956120    1.750444088    7.765195887    0.061863783   -0.410975180    0.279211042
C     2.402200522    1.927077826    6.715279435   -0.038594648   -0.502663990    0.180189727
C     3.518147863    1.098232179    6.616963115   -0.050427482   -0.514210333    0.144164507
C     3.735785239    0.106953300    7.555550783    0.036987518   -0.435174940    0.205896888
H     1.024649895    0.594638649    9.527433753    0.228013051   -0.260038000    0.419879886
H     0.632436656    2.394146991    7.849920846    0.071858365   -0.401286581    0.307551028
H     2.234718161    2.707547835    5.978919032   -0.107167338   -0.564679850    0.131223572
H     4.223038971    1.234433276    5.801952524   -0.128412197   -0.585404533    0.066732775
H     4.605362219   -0.535021074    7.479431332    0.027825445   -0.444130468    0.177504081
H     4.233872275   -2.513150835   10.087320594    0.272937281   -0.221727604    0.376301390
O     0.363717460    3.958790402   21.399726529   -0.320282347   -0.177420377   -0.458711933
O     2.215676517    4.448401432   20.223083030   -0.205725521   -0.282598436   -0.325507822
C     1.087823734    3.726042549   20.450207479   -0.229639646   -0.260085722   -0.371474505
C     0.852423556    2.669094076   19.451760713   -0.136656722   -0.344150512   -0.305966223
C    -0.269757546    1.836568585   19.558129179   -0.149274449   -0.331902881   -0.342272744
C    -0.480104824    0.837465314   18.619353117   -0.061863783   -0.410975180   -0.279211042
C     0.419139578    0.660831576   17.569436665    0.038594648   -0.502663990   -0.180189727
C     1.535086919    1.489677222   17.471120345    0.050427482   -0.514210333   -0.144164507
C     1.752724295    2.480956102   18.409708013   -0.036987518   -0.435174940   -0.205896888
H    -0.958411049    1.993270752   20.381590983   -0.228013051   -0.260038000   -0.419879886
H    -1.350624288    0.193762411   18.704078076   -0.071858365   -0.401286581   -0.307551028
H     0.251657217   -0.119638434   16.833076262    0.107167338   -0.564679850   -0.131223572
H     2.239978028    1.353476126   16.656109755    0.128412197   -0.585404533   -0.066732775
H     2.622301275    3.122930476   18.333588563   -0.027825445   -0.444130468   -0.177504081
H     2.250811331    5.101060236   20.941477824   -0.272937281   -0.221727604   -0.376301390
O    -0.945487456    1.370881001   11.162745163   -0.320282347    0.177420377   -0.458711933
O    -2.797446513    1.860492031   12.339388662   -0.205725521    0.282598436   -0.325507822
C    -1.669593730    1.138133147   12.112264213   -0.229639646    0.260085722   -0.371474505
C    -1.434193552    0.081184674   13.110710979   -0.136656722    0.344150512   -0.305966223
C    -0.312012450   -0.751340816   13.004342513   -0.149274449    0.331902881   -0.342272744
C    -0.101665172   -1.750444088   13.943118575   -0.061863783    0.410975180   -0.279211042
C    -1.000909574   -1.927077826   14.993035027    0.038594648    0.502663990   -0.180189727
C    -2.116856915   -1.098232179   15.091351347    0.050427482    0.514210333   -0.144164507
C    -2.334494291   -0.106953300   14.152763679   -0.036987518    0.435174940   -0.205896888
H     0.376641053   -0.594638649   12.180880709   -0.228013051    0.260038000   -0.419879886
H     0.768854292   -2.394146991   13.858393616   -0.071858365    0.401286581   -0.307551028
H    -0.833427213   -2.707547835   15.729395430    0.107167338    0.564679850   -0.131223572
H    -2.821748024   -1.234433276   15.906361937    0.128412197    0.585404533   -0.066732775
H    -3.204071271    0.535021074   14.228883129   -0.027825445    0.444130468   -0.177504081
H    -2.832581327    2.513150835   11.620993868   -0.272937281    0.221727604   -0.376301390
060
Bg, (4.30THz), IR inactive
O     1.037573488    1.217028399    0.308587931    0.371145656    1.021481596   -0.591019766
O    -0.814385569    0.727417368    1.485231429    0.210504288    0.598755857   -1.008859930
C     0.313467214    1.449776252    1.258106980    0.247882993    0.672536873   -0.599527713
C     0.548867392    2.506724725    2.256553747    0.126509839    0.295497122   -0.183255520
C     1.671048494    3.339250215    2.150185281    0.149029973    0.324023927    0.265568601
C     1.881395772    4.338353487    3.088961342    0.034964505   -0.030371143    0.657492379
C     0.982151370    4.514987225    4.138877795   -0.102150403   -0.415211344    0.605887249
C    -0.133795971    3.686141579    4.237194115   -0.123567876   -0.440779961    0.159213202
C    -0.351433347    2.694862699    3.298606447   -0.009447943   -0.086381614   -0.230790675
H     2.359701997    3.182548048    1.326723477    0.256386481    0.626027399    0.297261771
H     2.751915236    4.982056390    3.004236384    0.052705239   -0.007412222    1.004888822
H     1.149633731    5.295457234    4.875238197   -0.191654039   -0.693218229    0.912453488
H    -0.838687079    3.822342675    5.052204705   -0.230014278   -0.739447494    0.117939026
H    -1.221010327    2.052888325    3.374725897   -0.026032603   -0.106121018   -0.577431628
H    -0.849520383    0.074758564    0.766836635    0.298927862    0.868678562   -1.251675997
O     2.346778404   -1.370881001   10.545569298    0.371145656   -1.021481596   -0.591019766
O     4.198737461   -1.860492031    9.368925800    0.210504288   -0.598755857   -1.008859930
C     3.070884678   -1.138133147    9.596050249    0.247882993   -0.672536873   -0.599527713
C     2.835484500   -0.081184674    8.597603483    0.126509839   -0.295497122   -0.183255520
C     1.713303398    0.751340816    8.703971949    0.149029973   -0.324023927    0.265568601
C     1.502956120    1.750444088    7.765195887    0.034964505    0.030371143    0.657492379
C     2.402200522    1.927077826    6.715279435   -0.102150403    0.415211344    0.605887249
C     3.518147863    1.098232179    6.616963115   -0.123567876    0.440779961    0.159213202
C     3.735785239    0.106953300    7.555550783   -0.009447943    0.086381614   -0.230790675
H     1.024649895    0.594638649    9.527433753    0.256386481   -0.626027399    0.297261771
H     0.632436656    2.394146991    7.849920846    0.052705239    0.007412222    1.004888822
H     2.234718161    2.707547835    5.978919032   -0.191654039    0.693218229    0.912453488
H     4.223038971    1.234433276    5.801952524   -0.230014278    0.739447494    0.117939026
H     4.605362219   -0.535021074    7.479431332   -0.026032603    0.106121018   -0.577431628
H     4.233872275   -2.513150835   10.087320594    0.298927862   -0.868678562   -1.251675997
O     0.363717460    3.958790402   21.399726529   -0.371145656   -1.021481596    0.591019766
O     2.215676517    4.448401432   20.223083030   -0.210504288   -0.598755857    1.008859930
C     1.087823734    3.726042549   20.450207479   -0.247882993   -0.672536873    0.599527713
C     0.852423556    2.669094076   19.451760713   -0.126509839   -0.295497122    0.183255520
C    -0.269757546    1.836568585   19.558129179   -0.149029973   -0.324023927   -0.265568601
C    -0.480104824    0.837465314   18.619353117   -0.034964505    0.030371143   -0.657492379
C     0.419139578    0.660831576   17.569436665    0.102150403    0.415211344   -0.605887249
C     1.535086919    1.489677222   17.471120345    0.123567876    0.440779961   -0.159213202
C     1.752724295    2.480956102   18.409708013    0.009447943    0.086381614    0.230790675
H    -0.958411049    1.993270752   20.381590983   -0.256386481   -0.626027399   -0.297261771
H    -1.350624288    0.193762411   18.704078076   -0.052705239    0.007412222   -1.004888822
H     0.251657217   -0.119638434   16.833076262    0.191654039    0.693218229   -0.912453488
H     2.239978028    1.353476126   16.656109755    0.230014278    0.739447494   -0.117939026
H     2.622301275    3.122930476   18.333588563    0.026032603    0.106121018    0.577431628
H     2.250811331    5.101060236   20.941477824   -0.298927862   -0.868678562    1.251675997
O    -0.945487456    1.370881001   11.162745163   -0.371145656    1.021481596    0.591019766
O    -2.797446513    1.860492031   12.339388662   -0.210504288    0.598755857    1.008859930
C    -1.669593730    1.138133147   12.112264213   -0.247882993    0.672536873    0.599527713
C    -1.434193552    0.081184674   13.110710979   -0.126509839    0.295497122    0.183255520
C    -0.312012450   -0.751340816   13.004342513   -0.149029973    0.324023927   -0.265568601
C    -0.101665172   -1.750444088   13.943118575   -0.034964505   -0.030371143   -0.657492379
C    -1.000909574   -1.927077826   14.993035027    0.102150403   -0.415211344   -0.605887249
C    -2.116856915   -1.098232179   15.091351347    0.123567876   -0.440779961   -0.159213202
C    -2.334494291   -0.106953300   14.152763679    0.009447943   -0.086381614    0.230790675
H     0.376641053   -0.594638649   12.180880709   -0.256386481    0.626027399   -0.297261771
H     0.768854292   -2.394146991   13.858393616   -0.052705239   -0.007412222   -1.004888822
H    -0.833427213   -2.707547835   15.729395430    0.191654039   -0.693218229   -0.912453488
H    -2.821748024   -1.234433276   15.906361937    0.230014278   -0.739447494   -0.117939026
H    -3.204071271    0.535021074   14.228883129    0.026032603   -0.106121018    0.577431628
H    -2.832581327    2.513150835   11.620993868   -0.298927862    0.868678562    1.251675997
060
Ag, (4.32THz), IR inactive
O     1.037573488    1.217028399    0.308587931   -0.388481259   -0.925619981    0.283074741
O    -0.814385569    0.727417368    1.485231429   -0.206662860   -0.660482839    0.669562909
C     0.313467214    1.449776252    1.258106980   -0.263505350   -0.684978507    0.318710025
C     0.548867392    2.506724725    2.256553747   -0.160221597   -0.397410697   -0.001216874
C     1.671048494    3.339250215    2.150185281   -0.203960707   -0.388309366   -0.381289577
C     1.881395772    4.338353487    3.088961342   -0.107033884   -0.118308091   -0.682048456
C     0.982151370    4.514987225    4.138877795    0.033952341    0.144363325   -0.607191968
C    -0.133795971    3.686141579    4.237194115    0.076435805    0.133224524   -0.228975261
C    -0.351433347    2.694862699    3.298606447   -0.020735632   -0.136976532    0.070645496
H     2.359701997    3.182548048    1.326723477   -0.313908644   -0.594901802   -0.432778999
H     2.751915236    4.982056390    3.004236384   -0.141200357   -0.111866528   -0.976308543
H     1.149633731    5.295457234    4.875238197    0.110091322    0.356234081   -0.842566890
H    -0.838687079    3.822342675    5.052204705    0.185909724    0.336889482   -0.169684675
H    -1.221010327    2.052888325    3.374725897    0.012165250   -0.145793695    0.364303246
H    -0.849520383    0.074758564    0.766836635   -0.284711607   -0.862741879    0.852046696
O     2.346778404   -1.370881001   10.545569298    0.388481259   -0.925619981   -0.283074741
O     4.198737461   -1.860492031    9.368925800    0.206662860   -0.660482839   -0.669562909
C     3.070884678   -1.138133147    9.596050249    0.263505350   -0.684978507   -0.318710025
C     2.835484500   -0.081184674    8.597603483    0.160221597   -0.397410697    0.001216874
C     1.713303398    0.751340816    8.703971949    0.203960707   -0.388309366    0.381289577
C     1.502956120    1.750444088    7.765195887    0.107033884   -0.118308091    0.682048456
C     2.402200522    1.927077826    6.715279435   -0.033952341    0.144363325    0.607191968
C     3.518147863    1.098232179    6.616963115   -0.076435805    0.133224524    0.228975261
C     3.735785239    0.106953300    7.555550783    0.020735632   -0.136976532   -0.070645496
H     1.024649895    0.594638649    9.527433753    0.313908644   -0.594901802    0.432778999
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H     2.234718161    2.707547835    5.978919032   -0.110091322    0.356234081    0.842566890
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H     4.605362219   -0.535021074    7.479431332   -0.012165250   -0.145793695   -0.364303246
H     4.233872275   -2.513150835   10.087320594    0.284711607   -0.862741879   -0.852046696
O     0.363717460    3.958790402   21.399726529    0.388481259    0.925619981   -0.283074741
O     2.215676517    4.448401432   20.223083030    0.206662860    0.660482839   -0.669562909
C     1.087823734    3.726042549   20.450207479    0.263505350    0.684978507   -0.318710025
C     0.852423556    2.669094076   19.451760713    0.160221597    0.397410697    0.001216874
C    -0.269757546    1.836568585   19.558129179    0.203960707    0.388309366    0.381289577
C    -0.480104824    0.837465314   18.619353117    0.107033884    0.118308091    0.682048456
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C     1.752724295    2.480956102   18.409708013    0.020735632    0.136976532   -0.070645496
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H     2.622301275    3.122930476   18.333588563   -0.012165250    0.145793695   -0.364303246
H     2.250811331    5.101060236   20.941477824    0.284711607    0.862741879   -0.852046696
O    -0.945487456    1.370881001   11.162745163   -0.388481259    0.925619981    0.283074741
O    -2.797446513    1.860492031   12.339388662   -0.206662860    0.660482839    0.669562909
C    -1.669593730    1.138133147   12.112264213   -0.263505350    0.684978507    0.318710025
C    -1.434193552    0.081184674   13.110710979   -0.160221597    0.397410697   -0.001216874
C    -0.312012450   -0.751340816   13.004342513   -0.203960707    0.388309366   -0.381289577
C    -0.101665172   -1.750444088   13.943118575   -0.107033884    0.118308091   -0.682048456
C    -1.000909574   -1.927077826   14.993035027    0.033952341   -0.144363325   -0.607191968
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C    -2.334494291   -0.106953300   14.152763679   -0.020735632    0.136976532    0.070645496
H     0.376641053   -0.594638649   12.180880709   -0.313908644    0.594901802   -0.432778999
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H    -0.833427213   -2.707547835   15.729395430    0.110091322   -0.356234081   -0.842566890
H    -2.821748024   -1.234433276   15.906361937    0.185909724   -0.336889482   -0.169684675
H    -3.204071271    0.535021074   14.228883129    0.012165250    0.145793695    0.364303246
H    -2.832581327    2.513150835   11.620993868   -0.284711607    0.862741879    0.852046696
