66
* (null), Energy   -1000.0000000
Rb    5.171639    5.493462   -3.155229   -0.000148    0.000156    0.000172
Rb    5.562048   -1.266912   -3.730069    0.000016    0.000136   -0.000336
Rb    5.409031   -1.938073    3.309202    0.000504   -0.001452    0.000584
Rb    4.900837    4.947405    3.658787   -0.000674   -0.000460   -0.001306
Rb    1.957745   -1.349037   -0.695844    0.002234   -0.000010   -0.000146
Rb    5.219379    1.852905   -0.105110    0.002544    0.001670   -0.002488
Rb    1.979625    2.349444   -4.303465    0.000038    0.000172    0.000064
Rb    1.844681    1.801960    3.734172    0.002250   -0.000014   -0.000252
Rb    1.514913    5.519417    0.065075    0.000032   -0.002974    0.002028
Rb   -1.599683    2.395290   -0.272357    0.000458   -0.001452    0.000558
Rb   -1.558912    5.687212   -3.359765    0.000088    0.000056    0.000150
Rb   -1.339333   -1.092384   -3.904605   -0.000154    0.000120    0.000022
Rb   -1.410616   -1.403061    3.145692    0.002444    0.001472   -0.002410
Rb   -1.930641    5.433379    3.450159    0.000168   -0.000468   -0.000122
Br    5.448766    2.177201   -3.644931    0.000030   -0.000406    0.000400
Br    5.986399   -1.504793   -0.295813   -0.000588    0.000012    0.000334
Br    5.547345    1.538606    3.504508    0.002034   -0.001992   -0.001664
Br    5.148489    5.467567    0.213718   -0.000278   -0.000230   -0.000748
Br    1.825453    5.787529   -3.475845    0.000106   -0.000120   -0.000324
Br    2.117472   -1.148839   -4.166484    0.000156   -0.000182    0.000472
Br    1.988013   -1.689773    3.998561    0.002380   -0.002298    0.000324
Br    1.525460    5.680921    3.705754   -0.000024    0.000124    0.000722
Br   -1.512676    2.349508   -3.859612    0.000194   -0.000246   -0.000044
Br   -1.743293   -1.082055   -0.462212    0.002120   -0.001992   -0.001750
Br   -2.169147    1.958242    3.336037   -0.000448    0.000006    0.000276
Br   -1.981525    5.880617   -0.008150   -0.000254    0.000236   -0.000190
Br    1.821566    2.142807   -0.961470    0.002372   -0.002424    0.000204
Br   -1.826535    5.106684    6.861710   -0.000066    0.000074    0.000304
Rb    1.583558    5.095108    7.137986    0.000002    0.000062   -0.000280
Br    5.006506    4.955327    7.048817    0.000260   -0.000132    0.000174
Rb   -1.751108    1.714675    6.770646    0.000044    0.000136   -0.000320
Br    1.693664    1.602400    7.205026    0.000232   -0.000228    0.000310
Rb    5.151228    1.549030    6.947422   -0.000130    0.000146    0.000068
Br   -1.634517   -1.730190    6.684625    0.000170   -0.000378    0.000328
Rb    1.837682   -1.897175    7.340017    0.000042    0.000176    0.000128
Br    5.328823   -1.893546    6.898027    0.000088   -0.000174   -0.000142
Rb   -1.349073   -5.047311    6.195227   -0.000106    0.000150    0.000176
Br    1.997024   -5.332850    6.508664    0.000146    0.000008   -0.000366
Rb    5.381316   -5.231526    6.394790    0.000078    0.000046    0.000158
Br   -1.333237   -5.018452    2.826355   -0.000172   -0.000132   -0.000828
Rb    2.299811   -5.065502    2.967612   -0.000014   -0.003160    0.002084
Br    5.794993   -5.422786    3.042760   -0.000254    0.000008   -0.000144
Rb   -1.094783   -4.492199   -0.618186   -0.000732   -0.000486   -0.001300
Br    2.282418   -5.222263   -0.672012   -0.000056    0.000332    0.000722
Rb    5.738716   -4.977351   -0.414118    0.000206   -0.000502   -0.000176
Br   -1.197155   -4.498547   -4.008120    0.000326   -0.000066    0.000262
Rb    2.225432   -4.641060   -4.105164    0.000012    0.000034   -0.000282
Br    5.636038   -4.658824   -3.825897   -0.000116    0.000092    0.000360
O     0.452098    0.335831    1.433225    0.011228   -0.001048   -0.001194
H     0.940890    0.971977    0.887064   -0.185316   -0.125242   -0.336072
H    -0.208253   -0.055831    0.833582   -0.621196    0.340142    0.470986
O     3.357805    0.117961    1.605028    0.011270   -0.001222   -0.000474
H     4.013966    0.512828    2.207249   -0.649740    0.344278    0.491962
H     2.868186   -0.518457    2.150072   -0.194892   -0.136234   -0.356622
O     0.216467    3.445708    1.842699   -0.013320   -0.019276   -0.000798
H     0.619911    4.098971    2.446352    0.206844    0.037908   -0.206186
H    -0.478827    2.990119    2.355744   -0.008494    0.222140    0.220428
O     3.593162   -2.987890    1.191593   -0.013072   -0.020174   -0.000852
H     4.289785   -2.532360    0.680242   -0.016476    0.234618    0.221380
H     3.190787   -3.641074    0.587171    0.209788    0.040796   -0.211620
O     3.185062    3.384454    1.661840    0.013332   -0.014406   -0.002150
H     3.746777    3.998920    1.156106    0.198268    0.000562    0.216524
H     2.643378    2.928236    0.994142   -0.479558    0.745440   -0.123544
O     0.622476   -2.931070    1.376942    0.014620   -0.014478   -0.002706
H     1.164712   -2.474151    2.043758   -0.471332    0.743770   -0.129124
H     0.063720   -3.547489    1.883641    0.187124    0.020868    0.225248
66
* Frequency(170)  648.4600
Rb    5.171622    5.493480   -3.155209   -0.000148    0.000156    0.000172
Rb    5.562050   -1.266897   -3.730107    0.000016    0.000136   -0.000336
Rb    5.409088   -1.938238    3.309268    0.000504   -0.001452    0.000584
Rb    4.900760    4.947353    3.658639   -0.000674   -0.000460   -0.001306
Rb    1.957999   -1.349038   -0.695861    0.002234   -0.000010   -0.000146
Rb    5.219668    1.853095   -0.105393    0.002544    0.001670   -0.002488
Rb    1.979629    2.349464   -4.303458    0.000038    0.000172    0.000064
Rb    1.844937    1.801958    3.734143    0.002250   -0.000014   -0.000252
Rb    1.514917    5.519079    0.065305    0.000032   -0.002974    0.002028
Rb   -1.599631    2.395125   -0.272294    0.000458   -0.001452    0.000558
Rb   -1.558902    5.687218   -3.359748    0.000088    0.000056    0.000150
Rb   -1.339351   -1.092370   -3.904602   -0.000154    0.000120    0.000022
Rb   -1.410338   -1.402894    3.145418    0.002444    0.001472   -0.002410
Rb   -1.930622    5.433326    3.450145    0.000168   -0.000468   -0.000122
Br    5.448769    2.177155   -3.644886    0.000030   -0.000406    0.000400
Br    5.986332   -1.504792   -0.295775   -0.000588    0.000012    0.000334
Br    5.547576    1.538380    3.504319    0.002034   -0.001992   -0.001664
Br    5.148457    5.467541    0.213633   -0.000278   -0.000230   -0.000748
Br    1.825465    5.787515   -3.475882    0.000106   -0.000120   -0.000324
Br    2.117490   -1.148860   -4.166430    0.000156   -0.000182    0.000472
Br    1.988283   -1.690034    3.998598    0.002380   -0.002298    0.000324
Br    1.525457    5.680935    3.705836   -0.000024    0.000124    0.000722
Br   -1.512654    2.349480   -3.859617    0.000194   -0.000246   -0.000044
Br   -1.743052   -1.082281   -0.462411    0.002120   -0.001992   -0.001750
Br   -2.169198    1.958243    3.336068   -0.000448    0.000006    0.000276
Br   -1.981554    5.880644   -0.008172   -0.000254    0.000236   -0.000190
Br    1.821836    2.142532   -0.961447    0.002372   -0.002424    0.000204
Br   -1.826543    5.106692    6.861745   -0.000066    0.000074    0.000304
Rb    1.583558    5.095115    7.137954    0.000002    0.000062   -0.000280
Br    5.006536    4.955312    7.048837    0.000260   -0.000132    0.000174
Rb   -1.751103    1.714690    6.770610    0.000044    0.000136   -0.000320
Br    1.693690    1.602374    7.205061    0.000232   -0.000228    0.000310
Rb    5.151213    1.549047    6.947430   -0.000130    0.000146    0.000068
Br   -1.634498   -1.730233    6.684662    0.000170   -0.000378    0.000328
Rb    1.837687   -1.897155    7.340032    0.000042    0.000176    0.000128
Br    5.328833   -1.893566    6.898011    0.000088   -0.000174   -0.000142
Rb   -1.349085   -5.047294    6.195247   -0.000106    0.000150    0.000176
Br    1.997041   -5.332849    6.508622    0.000146    0.000008   -0.000366
Rb    5.381325   -5.231521    6.394808    0.000078    0.000046    0.000158
Br   -1.333257   -5.018467    2.826261   -0.000172   -0.000132   -0.000828
Rb    2.299809   -5.065861    2.967849   -0.000014   -0.003160    0.002084
Br    5.794964   -5.422785    3.042744   -0.000254    0.000008   -0.000144
Rb   -1.094866   -4.492254   -0.618334   -0.000732   -0.000486   -0.001300
Br    2.282412   -5.222225   -0.671930   -0.000056    0.000332    0.000722
Rb    5.738739   -4.977408   -0.414138    0.000206   -0.000502   -0.000176
Br   -1.197118   -4.498555   -4.008090    0.000326   -0.000066    0.000262
Rb    2.225433   -4.641056   -4.105196    0.000012    0.000034   -0.000282
Br    5.636025   -4.658814   -3.825856   -0.000116    0.000092    0.000360
O     0.453374    0.335712    1.433089    0.011228   -0.001048   -0.001194
H     0.919830    0.957744    0.848871   -0.185316   -0.125242   -0.336072
H    -0.278849   -0.017176    0.887107   -0.621196    0.340142    0.470986
O     3.359086    0.117822    1.604974    0.011270   -0.001222   -0.000474
H     3.940126    0.551953    2.263158   -0.649740    0.344278    0.491962
H     2.846038   -0.533939    2.109544   -0.194892   -0.136234   -0.356622
O     0.214953    3.443517    1.842608   -0.013320   -0.019276   -0.000798
H     0.643418    4.103279    2.422920    0.206844    0.037908   -0.206186
H    -0.479792    3.015364    2.380794   -0.008494    0.222140    0.220428
O     3.591676   -2.990183    1.191496   -0.013072   -0.020174   -0.000852
H     4.287913   -2.505697    0.705401   -0.016476    0.234618    0.221380
H     3.214628   -3.636438    0.563121    0.209788    0.040796   -0.211620
O     3.186577    3.382817    1.661596    0.013332   -0.014406   -0.002150
H     3.769309    3.998984    1.180713    0.198268    0.000562    0.216524
H     2.588879    3.012951    0.980102   -0.479558    0.745440   -0.123544
O     0.624137   -2.932715    1.376634    0.014620   -0.014478   -0.002706
H     1.111148   -2.389625    2.029084   -0.471332    0.743770   -0.129124
H     0.084986   -3.545117    1.909239    0.187124    0.020868    0.225248
66
* Frequency(170)  648.4600
Rb    5.171607    5.493496   -3.155192   -0.000148    0.000156    0.000172
Rb    5.562051   -1.266883   -3.730141    0.000016    0.000136   -0.000336
Rb    5.409139   -1.938385    3.309328    0.000504   -0.001452    0.000584
Rb    4.900692    4.947306    3.658506   -0.000674   -0.000460   -0.001306
Rb    1.958225   -1.349039   -0.695875    0.002234   -0.000010   -0.000146
Rb    5.219926    1.853264   -0.105645    0.002544    0.001670   -0.002488
Rb    1.979633    2.349481   -4.303451    0.000038    0.000172    0.000064
Rb    1.845165    1.801957    3.734118    0.002250   -0.000014   -0.000252
Rb    1.514920    5.518778    0.065511    0.000032   -0.002974    0.002028
Rb   -1.599585    2.394978   -0.272237    0.000458   -0.001452    0.000558
Rb   -1.558893    5.687224   -3.359733    0.000088    0.000056    0.000150
Rb   -1.339366   -1.092358   -3.904600   -0.000154    0.000120    0.000022
Rb   -1.410091   -1.402745    3.145174    0.002444    0.001472   -0.002410
Rb   -1.930605    5.433278    3.450133    0.000168   -0.000468   -0.000122
Br    5.448772    2.177114   -3.644845    0.000030   -0.000406    0.000400
Br    5.986273   -1.504790   -0.295741   -0.000588    0.000012    0.000334
Br    5.547782    1.538178    3.504150    0.002034   -0.001992   -0.001664
Br    5.148429    5.467518    0.213557   -0.000278   -0.000230   -0.000748
Br    1.825476    5.787503   -3.475915    0.000106   -0.000120   -0.000324
Br    2.117506   -1.148878   -4.166383    0.000156   -0.000182    0.000472
Br    1.988525   -1.690267    3.998631    0.002380   -0.002298    0.000324
Br    1.525455    5.680948    3.705909   -0.000024    0.000124    0.000722
Br   -1.512634    2.349455   -3.859621    0.000194   -0.000246   -0.000044
Br   -1.742837   -1.082483   -0.462588    0.002120   -0.001992   -0.001750
Br   -2.169243    1.958243    3.336096   -0.000448    0.000006    0.000276
Br   -1.981580    5.880668   -0.008191   -0.000254    0.000236   -0.000190
Br    1.822076    2.142286   -0.961426    0.002372   -0.002424    0.000204
Br   -1.826549    5.106700    6.861775   -0.000066    0.000074    0.000304
Rb    1.583558    5.095121    7.137926    0.000002    0.000062   -0.000280
Br    5.006562    4.955299    7.048854    0.000260   -0.000132    0.000174
Rb   -1.751099    1.714704    6.770577    0.000044    0.000136   -0.000320
Br    1.693714    1.602351    7.205093    0.000232   -0.000228    0.000310
Rb    5.151200    1.549061    6.947437   -0.000130    0.000146    0.000068
Br   -1.634480   -1.730271    6.684696    0.000170   -0.000378    0.000328
Rb    1.837691   -1.897137    7.340045    0.000042    0.000176    0.000128
Br    5.328842   -1.893583    6.897996    0.000088   -0.000174   -0.000142
Rb   -1.349096   -5.047279    6.195265   -0.000106    0.000150    0.000176
Br    1.997055   -5.332848    6.508585    0.000146    0.000008   -0.000366
Rb    5.381333   -5.231516    6.394824    0.000078    0.000046    0.000158
Br   -1.333274   -5.018480    2.826177   -0.000172   -0.000132   -0.000828
Rb    2.299808   -5.066181    2.968060   -0.000014   -0.003160    0.002084
Br    5.794938   -5.422784    3.042729   -0.000254    0.000008   -0.000144
Rb   -1.094940   -4.492303   -0.618465   -0.000732   -0.000486   -0.001300
Br    2.282406   -5.222192   -0.671857   -0.000056    0.000332    0.000722
Rb    5.738760   -4.977459   -0.414156    0.000206   -0.000502   -0.000176
Br   -1.197085   -4.498561   -4.008064    0.000326   -0.000066    0.000262
Rb    2.225435   -4.641053   -4.105225    0.000012    0.000034   -0.000282
Br    5.636013   -4.658804   -3.825820   -0.000116    0.000092    0.000360
O     0.454512    0.335606    1.432968    0.011228   -0.001048   -0.001194
H     0.901052    0.945053    0.814817   -0.185316   -0.125242   -0.336072
H    -0.341794    0.017291    0.934832   -0.621196    0.340142    0.470986
O     3.360228    0.117698    1.604926    0.011270   -0.001222   -0.000474
H     3.874289    0.586839    2.313008   -0.649740    0.344278    0.491962
H     2.826289   -0.547744    2.073407   -0.194892   -0.136234   -0.356622
O     0.213604    3.441564    1.842527   -0.013320   -0.019276   -0.000798
H     0.664377    4.107120    2.402027    0.206844    0.037908   -0.206186
H    -0.480653    3.037873    2.403130   -0.008494    0.222140    0.220428
O     3.590352   -2.992227    1.191410   -0.013072   -0.020174   -0.000852
H     4.286243   -2.481923    0.727833   -0.016476    0.234618    0.221380
H     3.235886   -3.632304    0.541678    0.209788    0.040796   -0.211620
O     3.187928    3.381357    1.661378    0.013332   -0.014406   -0.002150
H     3.789400    3.999041    1.202653    0.198268    0.000562    0.216524
H     2.540285    3.088487    0.967583   -0.479558    0.745440   -0.123544
O     0.625619   -2.934182    1.376360    0.014620   -0.014478   -0.002706
H     1.063388   -2.314259    2.016000   -0.471332    0.743770   -0.129124
H     0.103947   -3.543003    1.932064    0.187124    0.020868    0.225248
66
* Frequency(170)  648.4600
Rb    5.171596    5.493508   -3.155179   -0.000148    0.000156    0.000172
Rb    5.562053   -1.266872   -3.730167    0.000016    0.000136   -0.000336
Rb    5.409179   -1.938498    3.309373    0.000504   -0.001452    0.000584
Rb    4.900640    4.947270    3.658404   -0.000674   -0.000460   -0.001306
Rb    1.958400   -1.349040   -0.695887    0.002234   -0.000010   -0.000146
Rb    5.220124    1.853394   -0.105839    0.002544    0.001670   -0.002488
Rb    1.979636    2.349494   -4.303446    0.000038    0.000172    0.000064
Rb    1.845340    1.801956    3.734098    0.002250   -0.000014   -0.000252
Rb    1.514922    5.518546    0.065669    0.000032   -0.002974    0.002028
Rb   -1.599549    2.394865   -0.272194    0.000458   -0.001452    0.000558
Rb   -1.558886    5.687228   -3.359721    0.000088    0.000056    0.000150
Rb   -1.339378   -1.092349   -3.904599   -0.000154    0.000120    0.000022
Rb   -1.409900   -1.402630    3.144986    0.002444    0.001472   -0.002410
Rb   -1.930592    5.433242    3.450123    0.000168   -0.000468   -0.000122
Br    5.448775    2.177082   -3.644814    0.000030   -0.000406    0.000400
Br    5.986227   -1.504789   -0.295715   -0.000588    0.000012    0.000334
Br    5.547941    1.538022    3.504020    0.002034   -0.001992   -0.001664
Br    5.148408    5.467500    0.213499   -0.000278   -0.000230   -0.000748
Br    1.825484    5.787494   -3.475940    0.000106   -0.000120   -0.000324
Br    2.117518   -1.148892   -4.166346    0.000156   -0.000182    0.000472
Br    1.988710   -1.690446    3.998656    0.002380   -0.002298    0.000324
Br    1.525453    5.680957    3.705966   -0.000024    0.000124    0.000722
Br   -1.512619    2.349436   -3.859625    0.000194   -0.000246   -0.000044
Br   -1.742672   -1.082639   -0.462725    0.002120   -0.001992   -0.001750
Br   -2.169278    1.958244    3.336118   -0.000448    0.000006    0.000276
Br   -1.981599    5.880686   -0.008206   -0.000254    0.000236   -0.000190
Br    1.822261    2.142097   -0.961410    0.002372   -0.002424    0.000204
Br   -1.826554    5.106706    6.861799   -0.000066    0.000074    0.000304
Rb    1.583559    5.095126    7.137904    0.000002    0.000062   -0.000280
Br    5.006582    4.955288    7.048868    0.000260   -0.000132    0.000174
Rb   -1.751095    1.714715    6.770552    0.000044    0.000136   -0.000320
Br    1.693732    1.602333    7.205117    0.000232   -0.000228    0.000310
Rb    5.151190    1.549073    6.947442   -0.000130    0.000146    0.000068
Br   -1.634467   -1.730301    6.684721    0.000170   -0.000378    0.000328
Rb    1.837694   -1.897123    7.340055    0.000042    0.000176    0.000128
Br    5.328849   -1.893597    6.897985    0.000088   -0.000174   -0.000142
Rb   -1.349104   -5.047267    6.195279   -0.000106    0.000150    0.000176
Br    1.997067   -5.332848    6.508557    0.000146    0.000008   -0.000366
Rb    5.381339   -5.231513    6.394836    0.000078    0.000046    0.000158
Br   -1.333287   -5.018491    2.826112   -0.000172   -0.000132   -0.000828
Rb    2.299807   -5.066428    2.968223   -0.000014   -0.003160    0.002084
Br    5.794919   -5.422784    3.042718   -0.000254    0.000008   -0.000144
Rb   -1.094997   -4.492341   -0.618567   -0.000732   -0.000486   -0.001300
Br    2.282402   -5.222166   -0.671800   -0.000056    0.000332    0.000722
Rb    5.738776   -4.977498   -0.414170    0.000206   -0.000502   -0.000176
Br   -1.197059   -4.498566   -4.008043    0.000326   -0.000066    0.000262
Rb    2.225436   -4.641050   -4.105247    0.000012    0.000034   -0.000282
Br    5.636004   -4.658797   -3.825792   -0.000116    0.000092    0.000360
O     0.455388    0.335524    1.432875    0.011228   -0.001048   -0.001194
H     0.886591    0.935280    0.788592   -0.185316   -0.125242   -0.336072
H    -0.390269    0.043833    0.971585   -0.621196    0.340142    0.470986
O     3.361107    0.117603    1.604889    0.011270   -0.001222   -0.000474
H     3.823587    0.613704    2.351398   -0.649740    0.344278    0.491962
H     2.811081   -0.558375    2.045579   -0.194892   -0.136234   -0.356622
O     0.212564    3.440060    1.842465   -0.013320   -0.019276   -0.000798
H     0.680518    4.110078    2.385938    0.206844    0.037908   -0.206186
H    -0.481316    3.055208    2.420331   -0.008494    0.222140    0.220428
O     3.589332   -2.993801    1.191343   -0.013072   -0.020174   -0.000852
H     4.284957   -2.463615    0.745108   -0.016476    0.234618    0.221380
H     3.252257   -3.629120    0.525165    0.209788    0.040796   -0.211620
O     3.188968    3.380233    1.661210    0.013332   -0.014406   -0.002150
H     3.804871    3.999085    1.219549    0.198268    0.000562    0.216524
H     2.502864    3.146656    0.957943   -0.479558    0.745440   -0.123544
O     0.626760   -2.935312    1.376149    0.014620   -0.014478   -0.002706
H     1.026608   -2.256220    2.005924   -0.471332    0.743770   -0.129124
H     0.118549   -3.541375    1.949641    0.187124    0.020868    0.225248
66
* Frequency(170)  648.4600
Rb    5.171589    5.493515   -3.155171   -0.000148    0.000156    0.000172
Rb    5.562053   -1.266866   -3.730183    0.000016    0.000136   -0.000336
Rb    5.409202   -1.938566    3.309400    0.000504   -0.001452    0.000584
Rb    4.900608    4.947249    3.658344   -0.000674   -0.000460   -0.001306
Rb    1.958503   -1.349040   -0.695894    0.002234   -0.000010   -0.000146
Rb    5.220242    1.853472   -0.105954    0.002544    0.001670   -0.002488
Rb    1.979638    2.349502   -4.303443    0.000038    0.000172    0.000064
Rb    1.845444    1.801955    3.734086    0.002250   -0.000014   -0.000252
Rb    1.514924    5.518408    0.065763    0.000032   -0.002974    0.002028
Rb   -1.599528    2.394797   -0.272168    0.000458   -0.001452    0.000558
Rb   -1.558882    5.687231   -3.359714    0.000088    0.000056    0.000150
Rb   -1.339385   -1.092343   -3.904598   -0.000154    0.000120    0.000022
Rb   -1.409787   -1.402562    3.144874    0.002444    0.001472   -0.002410
Rb   -1.930584    5.433220    3.450118    0.000168   -0.000468   -0.000122
Br    5.448776    2.177063   -3.644795    0.000030   -0.000406    0.000400
Br    5.986199   -1.504789   -0.295700   -0.000588    0.000012    0.000334
Br    5.548035    1.537930    3.503943    0.002034   -0.001992   -0.001664
Br    5.148395    5.467489    0.213464   -0.000278   -0.000230   -0.000748
Br    1.825489    5.787488   -3.475955    0.000106   -0.000120   -0.000324
Br    2.117525   -1.148901   -4.166324    0.000156   -0.000182    0.000472
Br    1.988821   -1.690553    3.998671    0.002380   -0.002298    0.000324
Br    1.525452    5.680963    3.705999   -0.000024    0.000124    0.000722
Br   -1.512610    2.349425   -3.859627    0.000194   -0.000246   -0.000044
Br   -1.742574   -1.082731   -0.462806    0.002120   -0.001992   -0.001750
Br   -2.169299    1.958244    3.336131   -0.000448    0.000006    0.000276
Br   -1.981611    5.880697   -0.008214   -0.000254    0.000236   -0.000190
Br    1.822371    2.141985   -0.961401    0.002372   -0.002424    0.000204
Br   -1.826557    5.106709    6.861813   -0.000066    0.000074    0.000304
Rb    1.583559    5.095129    7.137891    0.000002    0.000062   -0.000280
Br    5.006594    4.955282    7.048876    0.000260   -0.000132    0.000174
Rb   -1.751093    1.714721    6.770537    0.000044    0.000136   -0.000320
Br    1.693743    1.602323    7.205131    0.000232   -0.000228    0.000310
Rb    5.151184    1.549080    6.947445   -0.000130    0.000146    0.000068
Br   -1.634459   -1.730318    6.684736    0.000170   -0.000378    0.000328
Rb    1.837696   -1.897115    7.340060    0.000042    0.000176    0.000128
Br    5.328853   -1.893605    6.897979    0.000088   -0.000174   -0.000142
Rb   -1.349109   -5.047260    6.195287   -0.000106    0.000150    0.000176
Br    1.997074   -5.332847    6.508540    0.000146    0.000008   -0.000366
Rb    5.381342   -5.231510    6.394844    0.000078    0.000046    0.000158
Br   -1.333295   -5.018497    2.826074   -0.000172   -0.000132   -0.000828
Rb    2.299806   -5.066574    2.968319   -0.000014   -0.003160    0.002084
Br    5.794907   -5.422783    3.042711   -0.000254    0.000008   -0.000144
Rb   -1.095031   -4.492364   -0.618627   -0.000732   -0.000486   -0.001300
Br    2.282399   -5.222150   -0.671767   -0.000056    0.000332    0.000722
Rb    5.738786   -4.977521   -0.414178    0.000206   -0.000502   -0.000176
Br   -1.197044   -4.498569   -4.008031    0.000326   -0.000066    0.000262
Rb    2.225436   -4.641048   -4.105260    0.000012    0.000034   -0.000282
Br    5.635999   -4.658793   -3.825775   -0.000116    0.000092    0.000360
O     0.455908    0.335475    1.432820    0.011228   -0.001048   -0.001194
H     0.878014    0.929484    0.773038   -0.185316   -0.125242   -0.336072
H    -0.419019    0.059576    0.993383   -0.621196    0.340142    0.470986
O     3.361629    0.117546    1.604867    0.011270   -0.001222   -0.000474
H     3.793516    0.629638    2.374167   -0.649740    0.344278    0.491962
H     2.802061   -0.564680    2.029074   -0.194892   -0.136234   -0.356622
O     0.211948    3.439168    1.842428   -0.013320   -0.019276   -0.000798
H     0.690091    4.111833    2.376395    0.206844    0.037908   -0.206186
H    -0.481709    3.065489    2.430533   -0.008494    0.222140    0.220428
O     3.588727   -2.994735    1.191304   -0.013072   -0.020174   -0.000852
H     4.284195   -2.452756    0.755354   -0.016476    0.234618    0.221380
H     3.261966   -3.627232    0.515370    0.209788    0.040796   -0.211620
O     3.189585    3.379566    1.661111    0.013332   -0.014406   -0.002150
H     3.814047    3.999111    1.229570    0.198268    0.000562    0.216524
H     2.480669    3.181156    0.952225   -0.479558    0.745440   -0.123544
O     0.627436   -2.935982    1.376024    0.014620   -0.014478   -0.002706
H     1.004794   -2.221797    1.999948   -0.471332    0.743770   -0.129124
H     0.127209   -3.540409    1.960065    0.187124    0.020868    0.225248
66
* Frequency(170)  648.4600
Rb    5.171587    5.493516   -3.155169   -0.000148    0.000156    0.000172
Rb    5.562054   -1.266865   -3.730186    0.000016    0.000136   -0.000336
Rb    5.409207   -1.938579    3.309406    0.000504   -0.001452    0.000584
Rb    4.900602    4.947245    3.658331   -0.000674   -0.000460   -0.001306
Rb    1.958524   -1.349040   -0.695895    0.002234   -0.000010   -0.000146
Rb    5.220266    1.853488   -0.105978    0.002544    0.001670   -0.002488
Rb    1.979638    2.349504   -4.303443    0.000038    0.000172    0.000064
Rb    1.845466    1.801955    3.734084    0.002250   -0.000014   -0.000252
Rb    1.514924    5.518380    0.065782    0.000032   -0.002974    0.002028
Rb   -1.599523    2.394784   -0.272162    0.000458   -0.001452    0.000558
Rb   -1.558881    5.687232   -3.359713    0.000088    0.000056    0.000150
Rb   -1.339387   -1.092342   -3.904597   -0.000154    0.000120    0.000022
Rb   -1.409764   -1.402548    3.144851    0.002444    0.001472   -0.002410
Rb   -1.930582    5.433216    3.450116    0.000168   -0.000468   -0.000122
Br    5.448776    2.177059   -3.644791    0.000030   -0.000406    0.000400
Br    5.986194   -1.504789   -0.295696   -0.000588    0.000012    0.000334
Br    5.548054    1.537911    3.503928    0.002034   -0.001992   -0.001664
Br    5.148392    5.467487    0.213457   -0.000278   -0.000230   -0.000748
Br    1.825490    5.787487   -3.475958    0.000106   -0.000120   -0.000324
Br    2.117526   -1.148902   -4.166319    0.000156   -0.000182    0.000472
Br    1.988843   -1.690575    3.998674    0.002380   -0.002298    0.000324
Br    1.525452    5.680964    3.706006   -0.000024    0.000124    0.000722
Br   -1.512608    2.349422   -3.859627    0.000194   -0.000246   -0.000044
Br   -1.742554   -1.082750   -0.462822    0.002120   -0.001992   -0.001750
Br   -2.169303    1.958244    3.336133   -0.000448    0.000006    0.000276
Br   -1.981614    5.880699   -0.008216   -0.000254    0.000236   -0.000190
Br    1.822393    2.141961   -0.961399    0.002372   -0.002424    0.000204
Br   -1.826558    5.106710    6.861816   -0.000066    0.000074    0.000304
Rb    1.583559    5.095130    7.137888    0.000002    0.000062   -0.000280
Br    5.006597    4.955281    7.048878    0.000260   -0.000132    0.000174
Rb   -1.751093    1.714722    6.770534    0.000044    0.000136   -0.000320
Br    1.693745    1.602320    7.205134    0.000232   -0.000228    0.000310
Rb    5.151183    1.549081    6.947446   -0.000130    0.000146    0.000068
Br   -1.634458   -1.730322    6.684739    0.000170   -0.000378    0.000328
Rb    1.837697   -1.897114    7.340062    0.000042    0.000176    0.000128
Br    5.328854   -1.893607    6.897977    0.000088   -0.000174   -0.000142
Rb   -1.349110   -5.047259    6.195288   -0.000106    0.000150    0.000176
Br    1.997075   -5.332847    6.508536    0.000146    0.000008   -0.000366
Rb    5.381343   -5.231510    6.394845    0.000078    0.000046    0.000158
Br   -1.333297   -5.018498    2.826066   -0.000172   -0.000132   -0.000828
Rb    2.299806   -5.066604    2.968339   -0.000014   -0.003160    0.002084
Br    5.794904   -5.422783    3.042710   -0.000254    0.000008   -0.000144
Rb   -1.095038   -4.492369   -0.618639   -0.000732   -0.000486   -0.001300
Br    2.282398   -5.222147   -0.671760   -0.000056    0.000332    0.000722
Rb    5.738788   -4.977526   -0.414179    0.000206   -0.000502   -0.000176
Br   -1.197041   -4.498570   -4.008029    0.000326   -0.000066    0.000262
Rb    2.225436   -4.641048   -4.105262    0.000012    0.000034   -0.000282
Br    5.635998   -4.658792   -3.825771   -0.000116    0.000092    0.000360
O     0.456014    0.335465    1.432809    0.011228   -0.001048   -0.001194
H     0.876251    0.928292    0.769841   -0.185316   -0.125242   -0.336072
H    -0.424929    0.062812    0.997864   -0.621196    0.340142    0.470986
O     3.361736    0.117535    1.604863    0.011270   -0.001222   -0.000474
H     3.787334    0.632914    2.378848   -0.649740    0.344278    0.491962
H     2.800207   -0.565976    2.025681   -0.194892   -0.136234   -0.356622
O     0.211821    3.438984    1.842421   -0.013320   -0.019276   -0.000798
H     0.692059    4.112193    2.374433    0.206844    0.037908   -0.206186
H    -0.481790    3.067602    2.432630   -0.008494    0.222140    0.220428
O     3.588602   -2.994927    1.191296   -0.013072   -0.020174   -0.000852
H     4.284038   -2.450524    0.757460   -0.016476    0.234618    0.221380
H     3.263962   -3.626844    0.513357    0.209788    0.040796   -0.211620
O     3.189712    3.379429    1.661090    0.013332   -0.014406   -0.002150
H     3.815934    3.999116    1.231631    0.198268    0.000562    0.216524
H     2.476106    3.188249    0.951049   -0.479558    0.745440   -0.123544
O     0.627576   -2.936120    1.375998    0.014620   -0.014478   -0.002706
H     1.000309   -2.214721    1.998719   -0.471332    0.743770   -0.129124
H     0.128990   -3.540210    1.962209    0.187124    0.020868    0.225248
66
* Frequency(170)  648.4600
Rb    5.171592    5.493512   -3.155174   -0.000148    0.000156    0.000172
Rb    5.562053   -1.266868   -3.730177    0.000016    0.000136   -0.000336
Rb    5.409193   -1.938538    3.309389    0.000504   -0.001452    0.000584
Rb    4.900621    4.947258    3.658368   -0.000674   -0.000460   -0.001306
Rb    1.958461   -1.349040   -0.695891    0.002234   -0.000010   -0.000146
Rb    5.220194    1.853440   -0.105907    0.002544    0.001670   -0.002488
Rb    1.979637    2.349499   -4.303444    0.000038    0.000172    0.000064
Rb    1.845402    1.801956    3.734091    0.002250   -0.000014   -0.000252
Rb    1.514923    5.518464    0.065725    0.000032   -0.002974    0.002028
Rb   -1.599536    2.394825   -0.272178    0.000458   -0.001452    0.000558
Rb   -1.558884    5.687230   -3.359717    0.000088    0.000056    0.000150
Rb   -1.339382   -1.092346   -3.904598   -0.000154    0.000120    0.000022
Rb   -1.409833   -1.402589    3.144920    0.002444    0.001472   -0.002410
Rb   -1.930587    5.433229    3.450120    0.000168   -0.000468   -0.000122
Br    5.448776    2.177071   -3.644803    0.000030   -0.000406    0.000400
Br    5.986211   -1.504789   -0.295706   -0.000588    0.000012    0.000334
Br    5.547997    1.537968    3.503975    0.002034   -0.001992   -0.001664
Br    5.148400    5.467493    0.213478   -0.000278   -0.000230   -0.000748
Br    1.825487    5.787491   -3.475949    0.000106   -0.000120   -0.000324
Br    2.117522   -1.148897   -4.166333    0.000156   -0.000182    0.000472
Br    1.988776   -1.690510    3.998665    0.002380   -0.002298    0.000324
Br    1.525452    5.680961    3.705985   -0.000024    0.000124    0.000722
Br   -1.512614    2.349429   -3.859626    0.000194   -0.000246   -0.000044
Br   -1.742613   -1.082693   -0.462773    0.002120   -0.001992   -0.001750
Br   -2.169291    1.958244    3.336125   -0.000448    0.000006    0.000276
Br   -1.981606    5.880693   -0.008211   -0.000254    0.000236   -0.000190
Br    1.822326    2.142030   -0.961405    0.002372   -0.002424    0.000204
Br   -1.826556    5.106708    6.861807   -0.000066    0.000074    0.000304
Rb    1.583559    5.095128    7.137896    0.000002    0.000062   -0.000280
Br    5.006589    4.955285    7.048873    0.000260   -0.000132    0.000174
Rb   -1.751094    1.714719    6.770543    0.000044    0.000136   -0.000320
Br    1.693738    1.602327    7.205125    0.000232   -0.000228    0.000310
Rb    5.151186    1.549077    6.947444   -0.000130    0.000146    0.000068
Br   -1.634463   -1.730311    6.684730    0.000170   -0.000378    0.000328
Rb    1.837695   -1.897119    7.340058    0.000042    0.000176    0.000128
Br    5.328851   -1.893602    6.897981    0.000088   -0.000174   -0.000142
Rb   -1.349107   -5.047263    6.195283   -0.000106    0.000150    0.000176
Br    1.997071   -5.332847    6.508547    0.000146    0.000008   -0.000366
Rb    5.381341   -5.231511    6.394841    0.000078    0.000046    0.000158
Br   -1.333292   -5.018494    2.826090   -0.000172   -0.000132   -0.000828
Rb    2.299807   -5.066515    2.968280   -0.000014   -0.003160    0.002084
Br    5.794912   -5.422783    3.042714   -0.000254    0.000008   -0.000144
Rb   -1.095018   -4.492355   -0.618603   -0.000732   -0.000486   -0.001300
Br    2.282400   -5.222157   -0.671781   -0.000056    0.000332    0.000722
Rb    5.738782   -4.977512   -0.414174    0.000206   -0.000502   -0.000176
Br   -1.197051   -4.498568   -4.008036    0.000326   -0.000066    0.000262
Rb    2.225436   -4.641049   -4.105254    0.000012    0.000034   -0.000282
Br    5.636001   -4.658795   -3.825782   -0.000116    0.000092    0.000360
O     0.455697    0.335495    1.432842    0.011228   -0.001048   -0.001194
H     0.881492    0.931834    0.779346   -0.185316   -0.125242   -0.336072
H    -0.407359    0.053192    0.984543   -0.621196    0.340142    0.470986
O     3.361417    0.117569    1.604876    0.011270   -0.001222   -0.000474
H     3.805711    0.623176    2.364933   -0.649740    0.344278    0.491962
H     2.805719   -0.562123    2.035767   -0.194892   -0.136234   -0.356622
O     0.212198    3.439530    1.842443   -0.013320   -0.019276   -0.000798
H     0.686209    4.111121    2.380265    0.206844    0.037908   -0.206186
H    -0.481550    3.061319    2.426396   -0.008494    0.222140    0.220428
O     3.588972   -2.994356    1.191320   -0.013072   -0.020174   -0.000852
H     4.284504   -2.457160    0.751199   -0.016476    0.234618    0.221380
H     3.258028   -3.627998    0.519342    0.209788    0.040796   -0.211620
O     3.189335    3.379837    1.661151    0.013332   -0.014406   -0.002150
H     3.810326    3.999100    1.225506    0.198268    0.000562    0.216524
H     2.489670    3.167165    0.954544   -0.479558    0.745440   -0.123544
O     0.627162   -2.935710    1.376075    0.014620   -0.014478   -0.002706
H     1.013640   -2.235757    2.002371   -0.471332    0.743770   -0.129124
H     0.123697   -3.540800    1.955838    0.187124    0.020868    0.225248
66
* Frequency(170)  648.4600
Rb    5.171601    5.493502   -3.155185   -0.000148    0.000156    0.000172
Rb    5.562052   -1.266877   -3.730156    0.000016    0.000136   -0.000336
Rb    5.409161   -1.938447    3.309352    0.000504   -0.001452    0.000584
Rb    4.900663    4.947287    3.658451   -0.000674   -0.000460   -0.001306
Rb    1.958320   -1.349040   -0.695882    0.002234   -0.000010   -0.000146
Rb    5.220034    1.853335   -0.105751    0.002544    0.001670   -0.002488
Rb    1.979635    2.349488   -4.303449    0.000038    0.000172    0.000064
Rb    1.845260    1.801956    3.734107    0.002250   -0.000014   -0.000252
Rb    1.514921    5.518651    0.065597    0.000032   -0.002974    0.002028
Rb   -1.599565    2.394916   -0.272213    0.000458   -0.001452    0.000558
Rb   -1.558889    5.687226   -3.359726    0.000088    0.000056    0.000150
Rb   -1.339373   -1.092353   -3.904599   -0.000154    0.000120    0.000022
Rb   -1.409987   -1.402682    3.145071    0.002444    0.001472   -0.002410
Rb   -1.930598    5.433258    3.450128    0.000168   -0.000468   -0.000122
Br    5.448774    2.177096   -3.644828    0.000030   -0.000406    0.000400
Br    5.986248   -1.504790   -0.295727   -0.000588    0.000012    0.000334
Br    5.547869    1.538093    3.504080    0.002034   -0.001992   -0.001664
Br    5.148417    5.467508    0.213525   -0.000278   -0.000230   -0.000748
Br    1.825480    5.787498   -3.475928    0.000106   -0.000120   -0.000324
Br    2.117512   -1.148886   -4.166362    0.000156   -0.000182    0.000472
Br    1.988626   -1.690365    3.998644    0.002380   -0.002298    0.000324
Br    1.525454    5.680953    3.705940   -0.000024    0.000124    0.000722
Br   -1.512626    2.349445   -3.859623    0.000194   -0.000246   -0.000044
Br   -1.742747   -1.082568   -0.462663    0.002120   -0.001992   -0.001750
Br   -2.169262    1.958244    3.336108   -0.000448    0.000006    0.000276
Br   -1.981590    5.880678   -0.008199   -0.000254    0.000236   -0.000190
Br    1.822177    2.142183   -0.961417    0.002372   -0.002424    0.000204
Br   -1.826552    5.106703    6.861788   -0.000066    0.000074    0.000304
Rb    1.583559    5.095124    7.137914    0.000002    0.000062   -0.000280
Br    5.006573    4.955293    7.048862    0.000260   -0.000132    0.000174
Rb   -1.751097    1.714710    6.770564    0.000044    0.000136   -0.000320
Br    1.693724    1.602341    7.205106    0.000232   -0.000228    0.000310
Rb    5.151195    1.549068    6.947440   -0.000130    0.000146    0.000068
Br   -1.634473   -1.730287    6.684709    0.000170   -0.000378    0.000328
Rb    1.837693   -1.897130    7.340050    0.000042    0.000176    0.000128
Br    5.328846   -1.893591    6.897990    0.000088   -0.000174   -0.000142
Rb   -1.349100   -5.047272    6.195272   -0.000106    0.000150    0.000176
Br    1.997062   -5.332848    6.508570    0.000146    0.000008   -0.000366
Rb    5.381336   -5.231514    6.394831    0.000078    0.000046    0.000158
Br   -1.333281   -5.018486    2.826142   -0.000172   -0.000132   -0.000828
Rb    2.299807   -5.066316    2.968149   -0.000014   -0.003160    0.002084
Br    5.794928   -5.422784    3.042723   -0.000254    0.000008   -0.000144
Rb   -1.094971   -4.492324   -0.618521   -0.000732   -0.000486   -0.001300
Br    2.282404   -5.222178   -0.671826   -0.000056    0.000332    0.000722
Rb    5.738769   -4.977480   -0.414163    0.000206   -0.000502   -0.000176
Br   -1.197071   -4.498564   -4.008053    0.000326   -0.000066    0.000262
Rb    2.225435   -4.641051   -4.105237    0.000012    0.000034   -0.000282
Br    5.636008   -4.658800   -3.825804   -0.000116    0.000092    0.000360
O     0.454989    0.335561    1.432918    0.011228   -0.001048   -0.001194
H     0.893171    0.939727    0.800524   -0.185316   -0.125242   -0.336072
H    -0.368213    0.031757    0.954862   -0.621196    0.340142    0.470986
O     3.360707    0.117646    1.604906    0.011270   -0.001222   -0.000474
H     3.846656    0.601481    2.333931   -0.649740    0.344278    0.491962
H     2.818001   -0.553538    2.058241   -0.194892   -0.136234   -0.356622
O     0.213037    3.440744    1.842494   -0.013320   -0.019276   -0.000798
H     0.673174    4.108732    2.393258    0.206844    0.037908   -0.206186
H    -0.481014    3.047321    2.412505   -0.008494    0.222140    0.220428
O     3.589796   -2.993085    1.191374   -0.013072   -0.020174   -0.000852
H     4.285542   -2.471945    0.737248   -0.016476    0.234618    0.221380
H     3.244808   -3.630569    0.532678    0.209788    0.040796   -0.211620
O     3.188495    3.380744    1.661286    0.013332   -0.014406   -0.002150
H     3.797832    3.999065    1.211862    0.198268    0.000562    0.216524
H     2.519890    3.120189    0.962329   -0.479558    0.745440   -0.123544
O     0.626241   -2.934798    1.376245    0.014620   -0.014478   -0.002706
H     1.043342   -2.282628    2.010508   -0.471332    0.743770   -0.129124
H     0.111905   -3.542115    1.941643    0.187124    0.020868    0.225248
66
* Frequency(170)  648.4600
Rb    5.171614    5.493488   -3.155200   -0.000148    0.000156    0.000172
Rb    5.562051   -1.266889   -3.730125    0.000016    0.000136   -0.000336
Rb    5.409115   -1.938315    3.309299    0.000504   -0.001452    0.000584
Rb    4.900725    4.947328    3.658569   -0.000674   -0.000460   -0.001306
Rb    1.958117   -1.349039   -0.695868    0.002234   -0.000010   -0.000146
Rb    5.219803    1.853183   -0.105524    0.002544    0.001670   -0.002488
Rb    1.979631    2.349473   -4.303454    0.000038    0.000172    0.000064
Rb    1.845056    1.801958    3.734130    0.002250   -0.000014   -0.000252
Rb    1.514918    5.518922    0.065413    0.000032   -0.002974    0.002028
Rb   -1.599607    2.395048   -0.272264    0.000458   -0.001452    0.000558
Rb   -1.558897    5.687221   -3.359740    0.000088    0.000056    0.000150
Rb   -1.339359   -1.092364   -3.904601   -0.000154    0.000120    0.000022
Rb   -1.410209   -1.402816    3.145291    0.002444    0.001472   -0.002410
Rb   -1.930613    5.433301    3.450139    0.000168   -0.000468   -0.000122
Br    5.448771    2.177133   -3.644864    0.000030   -0.000406    0.000400
Br    5.986301   -1.504791   -0.295757   -0.000588    0.000012    0.000334
Br    5.547684    1.538274    3.504231    0.002034   -0.001992   -0.001664
Br    5.148443    5.467529    0.213593   -0.000278   -0.000230   -0.000748
Br    1.825471    5.787509   -3.475899    0.000106   -0.000120   -0.000324
Br    2.117498   -1.148869   -4.166405    0.000156   -0.000182    0.000472
Br    1.988409   -1.690156    3.998615    0.002380   -0.002298    0.000324
Br    1.525456    5.680942    3.705874   -0.000024    0.000124    0.000722
Br   -1.512644    2.349467   -3.859619    0.000194   -0.000246   -0.000044
Br   -1.742940   -1.082387   -0.462504    0.002120   -0.001992   -0.001750
Br   -2.169222    1.958243    3.336083   -0.000448    0.000006    0.000276
Br   -1.981567    5.880656   -0.008182   -0.000254    0.000236   -0.000190
Br    1.821961    2.142403   -0.961436    0.002372   -0.002424    0.000204
Br   -1.826546    5.106696    6.861761   -0.000066    0.000074    0.000304
Rb    1.583558    5.095118    7.137939    0.000002    0.000062   -0.000280
Br    5.006549    4.955305    7.048846    0.000260   -0.000132    0.000174
Rb   -1.751101    1.714698    6.770593    0.000044    0.000136   -0.000320
Br    1.693703    1.602362    7.205078    0.000232   -0.000228    0.000310
Rb    5.151206    1.549054    6.947433   -0.000130    0.000146    0.000068
Br   -1.634489   -1.730253    6.684680    0.000170   -0.000378    0.000328
Rb    1.837689   -1.897146    7.340038    0.000042    0.000176    0.000128
Br    5.328838   -1.893575    6.898003    0.000088   -0.000174   -0.000142
Rb   -1.349091   -5.047286    6.195256   -0.000106    0.000150    0.000176
Br    1.997048   -5.332849    6.508603    0.000146    0.000008   -0.000366
Rb    5.381329   -5.231518    6.394816    0.000078    0.000046    0.000158
Br   -1.333266   -5.018474    2.826217   -0.000172   -0.000132   -0.000828
Rb    2.299809   -5.066028    2.967959   -0.000014   -0.003160    0.002084
Br    5.794951   -5.422785    3.042736   -0.000254    0.000008   -0.000144
Rb   -1.094905   -4.492280   -0.618403   -0.000732   -0.000486   -0.001300
Br    2.282409   -5.222208   -0.671892   -0.000056    0.000332    0.000722
Rb    5.738750   -4.977435   -0.414147    0.000206   -0.000502   -0.000176
Br   -1.197101   -4.498558   -4.008076    0.000326   -0.000066    0.000262
Rb    2.225434   -4.641054   -4.105211    0.000012    0.000034   -0.000282
Br    5.636019   -4.658809   -3.825837   -0.000116    0.000092    0.000360
O     0.453968    0.335656    1.433026    0.011228   -0.001048   -0.001194
H     0.910020    0.951114    0.831081   -0.185316   -0.125242   -0.336072
H    -0.311733    0.000830    0.912040   -0.621196    0.340142    0.470986
O     3.359682    0.117757    1.604949    0.011270   -0.001222   -0.000474
H     3.905731    0.570178    2.289201   -0.649740    0.344278    0.491962
H     2.835721   -0.541151    2.090665   -0.194892   -0.136234   -0.356622
O     0.214248    3.442497    1.842566   -0.013320   -0.019276   -0.000798
H     0.654367    4.105286    2.412005    0.206844    0.037908   -0.206186
H    -0.480242    3.027123    2.392463   -0.008494    0.222140    0.220428
O     3.590984   -2.991251    1.191451   -0.013072   -0.020174   -0.000852
H     4.287040   -2.493277    0.717120   -0.016476    0.234618    0.221380
H     3.225734   -3.634278    0.551919    0.209788    0.040796   -0.211620
O     3.187283    3.382054    1.661482    0.013332   -0.014406   -0.002150
H     3.779805    3.999014    1.192175    0.198268    0.000562    0.216524
H     2.563492    3.052413    0.973562   -0.479558    0.745440   -0.123544
O     0.624911   -2.933482    1.376491    0.014620   -0.014478   -0.002706
H     1.086197   -2.350253    2.022248   -0.471332    0.743770   -0.129124
H     0.094891   -3.544013    1.921163    0.187124    0.020868    0.225248
66
* Frequency(170)  648.4600
Rb    5.171630    5.493471   -3.155219   -0.000148    0.000156    0.000172
Rb    5.562049   -1.266904   -3.730088    0.000016    0.000136   -0.000336
Rb    5.409060   -1.938157    3.309236    0.000504   -0.001452    0.000584
Rb    4.900798    4.947379    3.658712   -0.000674   -0.000460   -0.001306
Rb    1.957874   -1.349038   -0.695852    0.002234   -0.000010   -0.000146
Rb    5.219526    1.853001   -0.105253    0.002544    0.001670   -0.002488
Rb    1.979627    2.349454   -4.303461    0.000038    0.000172    0.000064
Rb    1.844811    1.801959    3.734157    0.002250   -0.000014   -0.000252
Rb    1.514915    5.519246    0.065192    0.000032   -0.002974    0.002028
Rb   -1.599657    2.395206   -0.272325    0.000458   -0.001452    0.000558
Rb   -1.558907    5.687215   -3.359756    0.000088    0.000056    0.000150
Rb   -1.339342   -1.092377   -3.904604   -0.000154    0.000120    0.000022
Rb   -1.410475   -1.402976    3.145553    0.002444    0.001472   -0.002410
Rb   -1.930631    5.433352    3.450152    0.000168   -0.000468   -0.000122
Br    5.448768    2.177178   -3.644908    0.000030   -0.000406    0.000400
Br    5.986365   -1.504792   -0.295794   -0.000588    0.000012    0.000334
Br    5.547462    1.538491    3.504412    0.002034   -0.001992   -0.001664
Br    5.148473    5.467554    0.213675   -0.000278   -0.000230   -0.000748
Br    1.825459    5.787522   -3.475864    0.000106   -0.000120   -0.000324
Br    2.117481   -1.148849   -4.166457    0.000156   -0.000182    0.000472
Br    1.988150   -1.689905    3.998580    0.002380   -0.002298    0.000324
Br    1.525459    5.680928    3.705796   -0.000024    0.000124    0.000722
Br   -1.512665    2.349494   -3.859615    0.000194   -0.000246   -0.000044
Br   -1.743171   -1.082170   -0.462313    0.002120   -0.001992   -0.001750
Br   -2.169173    1.958242    3.336053   -0.000448    0.000006    0.000276
Br   -1.981540    5.880631   -0.008161   -0.000254    0.000236   -0.000190
Br    1.821703    2.142667   -0.961458    0.002372   -0.002424    0.000204
Br   -1.826539    5.106688    6.861728   -0.000066    0.000074    0.000304
Rb    1.583558    5.095112    7.137970    0.000002    0.000062   -0.000280
Br    5.006521    4.955319    7.048827    0.000260   -0.000132    0.000174
Rb   -1.751105    1.714683    6.770628    0.000044    0.000136   -0.000320
Br    1.693677    1.602387    7.205044    0.000232   -0.000228    0.000310
Rb    5.151221    1.549038    6.947426   -0.000130    0.000146    0.000068
Br   -1.634507   -1.730212    6.684644    0.000170   -0.000378    0.000328
Rb    1.837684   -1.897165    7.340024    0.000042    0.000176    0.000128
Br    5.328828   -1.893556    6.898019    0.000088   -0.000174   -0.000142
Rb   -1.349079   -5.047302    6.195237   -0.000106    0.000150    0.000176
Br    1.997032   -5.332850    6.508643    0.000146    0.000008   -0.000366
Rb    5.381320   -5.231523    6.394799    0.000078    0.000046    0.000158
Br   -1.333247   -5.018460    2.826307   -0.000172   -0.000132   -0.000828
Rb    2.299810   -5.065684    2.967732   -0.000014   -0.003160    0.002084
Br    5.794978   -5.422786    3.042752   -0.000254    0.000008   -0.000144
Rb   -1.094825   -4.492227   -0.618261   -0.000732   -0.000486   -0.001300
Br    2.282415   -5.222244   -0.671970   -0.000056    0.000332    0.000722
Rb    5.738728   -4.977380   -0.414128    0.000206   -0.000502   -0.000176
Br   -1.197136   -4.498551   -4.008105    0.000326   -0.000066    0.000262
Rb    2.225433   -4.641058   -4.105180    0.000012    0.000034   -0.000282
Br    5.636031   -4.658819   -3.825876   -0.000116    0.000092    0.000360
O     0.452745    0.335771    1.433156    0.011228   -0.001048   -0.001194
H     0.930214    0.964762    0.867704   -0.185316   -0.125242   -0.336072
H    -0.244039   -0.036236    0.860715   -0.621196    0.340142    0.470986
O     3.358454    0.117891    1.605001    0.011270   -0.001222   -0.000474
H     3.976536    0.532661    2.235590   -0.649740    0.344278    0.491962
H     2.856959   -0.526305    2.129528   -0.194892   -0.136234   -0.356622
O     0.215700    3.444598    1.842653   -0.013320   -0.019276   -0.000798
H     0.631827    4.101155    2.434474    0.206844    0.037908   -0.206186
H    -0.479316    3.002916    2.368442   -0.008494    0.222140    0.220428
O     3.592409   -2.989052    1.191544   -0.013072   -0.020174   -0.000852
H     4.288836   -2.518844    0.692995   -0.016476    0.234618    0.221380
H     3.202872   -3.638724    0.574980    0.209788    0.040796   -0.211620
O     3.185830    3.383624    1.661716    0.013332   -0.014406   -0.002150
H     3.758199    3.998952    1.168580    0.198268    0.000562    0.216524
H     2.615752    2.971179    0.987025   -0.479558    0.745440   -0.123544
O     0.623318   -2.931904    1.376786    0.014620   -0.014478   -0.002706
H     1.137559   -2.431304    2.036319   -0.471332    0.743770   -0.129124
H     0.074500   -3.546287    1.896617    0.187124    0.020868    0.225248
66
* Frequency(170)  648.4600
Rb    5.171648    5.493453   -3.155239   -0.000148    0.000156    0.000172
Rb    5.562047   -1.266920   -3.730050    0.000016    0.000136   -0.000336
Rb    5.409002   -1.937989    3.309168    0.000504   -0.001452    0.000584
Rb    4.900876    4.947431    3.658862   -0.000674   -0.000460   -0.001306
Rb    1.957616   -1.349036   -0.695836    0.002234   -0.000010   -0.000146
Rb    5.219232    1.852809   -0.104967    0.002544    0.001670   -0.002488
Rb    1.979623    2.349434   -4.303469    0.000038    0.000172    0.000064
Rb    1.844551    1.801961    3.734187    0.002250   -0.000014   -0.000252
Rb    1.514911    5.519588    0.064958    0.000032   -0.002974    0.002028
Rb   -1.599709    2.395374   -0.272389    0.000458   -0.001452    0.000558
Rb   -1.558917    5.687209   -3.359774    0.000088    0.000056    0.000150
Rb   -1.339324   -1.092391   -3.904606   -0.000154    0.000120    0.000022
Rb   -1.410757   -1.403146    3.145831    0.002444    0.001472   -0.002410
Rb   -1.930651    5.433406    3.450166    0.000168   -0.000468   -0.000122
Br    5.448764    2.177224   -3.644954    0.000030   -0.000406    0.000400
Br    5.986433   -1.504794   -0.295832   -0.000588    0.000012    0.000334
Br    5.547228    1.538721    3.504604    0.002034   -0.001992   -0.001664
Br    5.148505    5.467580    0.213761   -0.000278   -0.000230   -0.000748
Br    1.825447    5.787536   -3.475826    0.000106   -0.000120   -0.000324
Br    2.117463   -1.148829   -4.166511    0.000156   -0.000182    0.000472
Br    1.987876   -1.689641    3.998542    0.002380   -0.002298    0.000324
Br    1.525461    5.680914    3.705712   -0.000024    0.000124    0.000722
Br   -1.512687    2.349522   -3.859609    0.000194   -0.000246   -0.000044
Br   -1.743415   -1.081940   -0.462111    0.002120   -0.001992   -0.001750
Br   -2.169121    1.958242    3.336021   -0.000448    0.000006    0.000276
Br   -1.981510    5.880603   -0.008139   -0.000254    0.000236   -0.000190
Br    1.821429    2.142947   -0.961482    0.002372   -0.002424    0.000204
Br   -1.826531    5.106680    6.861692   -0.000066    0.000074    0.000304
Rb    1.583558    5.095104    7.138002    0.000002    0.000062   -0.000280
Br    5.006491    4.955335    7.048807    0.000260   -0.000132    0.000174
Rb   -1.751111    1.714667    6.770664    0.000044    0.000136   -0.000320
Br    1.693651    1.602413    7.205008    0.000232   -0.000228    0.000310
Rb    5.151235    1.549022    6.947418   -0.000130    0.000146    0.000068
Br   -1.634527   -1.730168    6.684606    0.000170   -0.000378    0.000328
Rb    1.837680   -1.897185    7.340010    0.000042    0.000176    0.000128
Br    5.328818   -1.893536    6.898035    0.000088   -0.000174   -0.000142
Rb   -1.349067   -5.047320    6.195217   -0.000106    0.000150    0.000176
Br    1.997016   -5.332850    6.508685    0.000146    0.000008   -0.000366
Rb    5.381312   -5.231529    6.394781    0.000078    0.000046    0.000158
Br   -1.333227   -5.018444    2.826403   -0.000172   -0.000132   -0.000828
Rb    2.299812   -5.065320    2.967492   -0.000014   -0.003160    0.002084
Br    5.795008   -5.422786    3.042768   -0.000254    0.000008   -0.000144
Rb   -1.094741   -4.492171   -0.618111   -0.000732   -0.000486   -0.001300
Br    2.282421   -5.222282   -0.672054   -0.000056    0.000332    0.000722
Rb    5.738704   -4.977322   -0.414108    0.000206   -0.000502   -0.000176
Br   -1.197174   -4.498543   -4.008135    0.000326   -0.000066    0.000262
Rb    2.225431   -4.641062   -4.105148    0.000012    0.000034   -0.000282
Br    5.636045   -4.658829   -3.825918   -0.000116    0.000092    0.000360
O     0.451451    0.335891    1.433294    0.011228   -0.001048   -0.001194
H     0.951566    0.979192    0.906424   -0.185316   -0.125242   -0.336072
H    -0.172467   -0.075426    0.806449   -0.621196    0.340142    0.470986
O     3.357156    0.118031    1.605055    0.011270   -0.001222   -0.000474
H     4.051396    0.492995    2.178908   -0.649740    0.344278    0.491962
H     2.879413   -0.510609    2.170616   -0.194892   -0.136234   -0.356622
O     0.217234    3.446818    1.842745   -0.013320   -0.019276   -0.000798
H     0.607995    4.096787    2.458230    0.206844    0.037908   -0.206186
H    -0.478338    2.977322    2.343046   -0.008494    0.222140    0.220428
O     3.593915   -2.986728    1.191642   -0.013072   -0.020174   -0.000852
H     4.290734   -2.545876    0.667489   -0.016476    0.234618    0.221380
H     3.178702   -3.643424    0.599362    0.209788    0.040796   -0.211620
O     3.184294    3.385284    1.661964    0.013332   -0.014406   -0.002150
H     3.735355    3.998888    1.143632    0.198268    0.000562    0.216524
H     2.671004    2.885293    1.001259   -0.479558    0.745440   -0.123544
O     0.621634   -2.930236    1.377098    0.014620   -0.014478   -0.002706
H     1.191865   -2.516998    2.051197   -0.471332    0.743770   -0.129124
H     0.052940   -3.548691    1.870665    0.187124    0.020868    0.225248
66
* Frequency(170)  648.4600
Rb    5.171664    5.493436   -3.155258   -0.000148    0.000156    0.000172
Rb    5.562045   -1.266935   -3.730013    0.000016    0.000136   -0.000336
Rb    5.408947   -1.937831    3.309105    0.000504   -0.001452    0.000584
Rb    4.900949    4.947482    3.659005   -0.000674   -0.000460   -0.001306
Rb    1.957373   -1.349035   -0.695820    0.002234   -0.000010   -0.000146
Rb    5.218955    1.852627   -0.104696    0.002544    0.001670   -0.002488
Rb    1.979619    2.349415   -4.303476    0.000038    0.000172    0.000064
Rb    1.844306    1.801962    3.734214    0.002250   -0.000014   -0.000252
Rb    1.514908    5.519912    0.064737    0.000032   -0.002974    0.002028
Rb   -1.599759    2.395532   -0.272450    0.000458   -0.001452    0.000558
Rb   -1.558927    5.687203   -3.359790    0.000088    0.000056    0.000150
Rb   -1.339307   -1.092404   -3.904609   -0.000154    0.000120    0.000022
Rb   -1.411023   -1.403306    3.146093    0.002444    0.001472   -0.002410
Rb   -1.930669    5.433457    3.450179    0.000168   -0.000468   -0.000122
Br    5.448761    2.177269   -3.644998    0.000030   -0.000406    0.000400
Br    5.986497   -1.504795   -0.295869   -0.000588    0.000012    0.000334
Br    5.547006    1.538938    3.504785    0.002034   -0.001992   -0.001664
Br    5.148535    5.467605    0.213843   -0.000278   -0.000230   -0.000748
Br    1.825435    5.787549   -3.475791    0.000106   -0.000120   -0.000324
Br    2.117446   -1.148809   -4.166563    0.000156   -0.000182    0.000472
Br    1.987617   -1.689390    3.998507    0.002380   -0.002298    0.000324
Br    1.525464    5.680900    3.705634   -0.000024    0.000124    0.000722
Br   -1.512708    2.349549   -3.859605    0.000194   -0.000246   -0.000044
Br   -1.743646   -1.081723   -0.461920    0.002120   -0.001992   -0.001750
Br   -2.169072    1.958241    3.335991   -0.000448    0.000006    0.000276
Br   -1.981483    5.880578   -0.008118   -0.000254    0.000236   -0.000190
Br    1.821171    2.143211   -0.961504    0.002372   -0.002424    0.000204
Br   -1.826524    5.106672    6.861659   -0.000066    0.000074    0.000304
Rb    1.583558    5.095098    7.138033    0.000002    0.000062   -0.000280
Br    5.006463    4.955349    7.048788    0.000260   -0.000132    0.000174
Rb   -1.751115    1.714652    6.770699    0.000044    0.000136   -0.000320
Br    1.693625    1.602438    7.204974    0.000232   -0.000228    0.000310
Rb    5.151250    1.549006    6.947411   -0.000130    0.000146    0.000068
Br   -1.634545   -1.730127    6.684570    0.000170   -0.000378    0.000328
Rb    1.837675   -1.897204    7.339996    0.000042    0.000176    0.000128
Br    5.328808   -1.893517    6.898051    0.000088   -0.000174   -0.000142
Rb   -1.349055   -5.047336    6.195198   -0.000106    0.000150    0.000176
Br    1.997000   -5.332851    6.508725    0.000146    0.000008   -0.000366
Rb    5.381303   -5.231534    6.394764    0.000078    0.000046    0.000158
Br   -1.333208   -5.018430    2.826493   -0.000172   -0.000132   -0.000828
Rb    2.299813   -5.064976    2.967265   -0.000014   -0.003160    0.002084
Br    5.795035   -5.422787    3.042784   -0.000254    0.000008   -0.000144
Rb   -1.094661   -4.492118   -0.617969   -0.000732   -0.000486   -0.001300
Br    2.282427   -5.222318   -0.672132   -0.000056    0.000332    0.000722
Rb    5.738682   -4.977267   -0.414089    0.000206   -0.000502   -0.000176
Br   -1.197209   -4.498536   -4.008164    0.000326   -0.000066    0.000262
Rb    2.225430   -4.641066   -4.105117    0.000012    0.000034   -0.000282
Br    5.636057   -4.658839   -3.825957   -0.000116    0.000092    0.000360
O     0.450228    0.336006    1.433424    0.011228   -0.001048   -0.001194
H     0.971760    0.992840    0.943047   -0.185316   -0.125242   -0.336072
H    -0.104773   -0.112492    0.755124   -0.621196    0.340142    0.470986
O     3.355928    0.118165    1.605107    0.011270   -0.001222   -0.000474
H     4.122201    0.455478    2.125297   -0.649740    0.344278    0.491962
H     2.900651   -0.495763    2.209479   -0.194892   -0.136234   -0.356622
O     0.218686    3.448919    1.842832   -0.013320   -0.019276   -0.000798
H     0.585455    4.092656    2.480699    0.206844    0.037908   -0.206186
H    -0.477412    2.953115    2.319025   -0.008494    0.222140    0.220428
O     3.595340   -2.984529    1.191735   -0.013072   -0.020174   -0.000852
H     4.292530   -2.571443    0.643364   -0.016476    0.234618    0.221380
H     3.155840   -3.647870    0.622423    0.209788    0.040796   -0.211620
O     3.182841    3.386854    1.662198    0.013332   -0.014406   -0.002150
H     3.713749    3.998826    1.120037    0.198268    0.000562    0.216524
H     2.723264    2.804059    1.014722   -0.479558    0.745440   -0.123544
O     0.620041   -2.928658    1.377393    0.014620   -0.014478   -0.002706
H     1.243227   -2.598049    2.065268   -0.471332    0.743770   -0.129124
H     0.032549   -3.550965    1.846119    0.187124    0.020868    0.225248
66
* Frequency(170)  648.4600
Rb    5.171677    5.493422   -3.155273   -0.000148    0.000156    0.000172
Rb    5.562044   -1.266947   -3.729982    0.000016    0.000136   -0.000336
Rb    5.408901   -1.937699    3.309052    0.000504   -0.001452    0.000584
Rb    4.901011    4.947523    3.659123   -0.000674   -0.000460   -0.001306
Rb    1.957170   -1.349034   -0.695806    0.002234   -0.000010   -0.000146
Rb    5.218724    1.852475   -0.104469    0.002544    0.001670   -0.002488
Rb    1.979615    2.349400   -4.303481    0.000038    0.000172    0.000064
Rb    1.844102    1.801964    3.734237    0.002250   -0.000014   -0.000252
Rb    1.514905    5.520183    0.064553    0.000032   -0.002974    0.002028
Rb   -1.599801    2.395664   -0.272501    0.000458   -0.001452    0.000558
Rb   -1.558935    5.687198   -3.359804    0.000088    0.000056    0.000150
Rb   -1.339293   -1.092415   -3.904611   -0.000154    0.000120    0.000022
Rb   -1.411245   -1.403440    3.146313    0.002444    0.001472   -0.002410
Rb   -1.930684    5.433500    3.450190    0.000168   -0.000468   -0.000122
Br    5.448758    2.177306   -3.645034    0.000030   -0.000406    0.000400
Br    5.986550   -1.504796   -0.295899   -0.000588    0.000012    0.000334
Br    5.546821    1.539119    3.504936    0.002034   -0.001992   -0.001664
Br    5.148561    5.467626    0.213911   -0.000278   -0.000230   -0.000748
Br    1.825426    5.787560   -3.475762    0.000106   -0.000120   -0.000324
Br    2.117432   -1.148792   -4.166606    0.000156   -0.000182    0.000472
Br    1.987400   -1.689181    3.998478    0.002380   -0.002298    0.000324
Br    1.525466    5.680889    3.705568   -0.000024    0.000124    0.000722
Br   -1.512726    2.349571   -3.859601    0.000194   -0.000246   -0.000044
Br   -1.743839   -1.081542   -0.461761    0.002120   -0.001992   -0.001750
Br   -2.169032    1.958240    3.335966   -0.000448    0.000006    0.000276
Br   -1.981460    5.880556   -0.008101   -0.000254    0.000236   -0.000190
Br    1.820955    2.143431   -0.961523    0.002372   -0.002424    0.000204
Br   -1.826518    5.106665    6.861632   -0.000066    0.000074    0.000304
Rb    1.583557    5.095092    7.138058    0.000002    0.000062   -0.000280
Br    5.006439    4.955361    7.048772    0.000260   -0.000132    0.000174
Rb   -1.751119    1.714640    6.770728    0.000044    0.000136   -0.000320
Br    1.693604    1.602459    7.204946    0.000232   -0.000228    0.000310
Rb    5.151261    1.548992    6.947404   -0.000130    0.000146    0.000068
Br   -1.634561   -1.730093    6.684541    0.000170   -0.000378    0.000328
Rb    1.837671   -1.897220    7.339984    0.000042    0.000176    0.000128
Br    5.328800   -1.893501    6.898064    0.000088   -0.000174   -0.000142
Rb   -1.349046   -5.047350    6.195182   -0.000106    0.000150    0.000176
Br    1.996986   -5.332852    6.508758    0.000146    0.000008   -0.000366
Rb    5.381296   -5.231538    6.394749    0.000078    0.000046    0.000158
Br   -1.333193   -5.018418    2.826568   -0.000172   -0.000132   -0.000828
Rb    2.299815   -5.064688    2.967075   -0.000014   -0.003160    0.002084
Br    5.795058   -5.422788    3.042797   -0.000254    0.000008   -0.000144
Rb   -1.094595   -4.492074   -0.617851   -0.000732   -0.000486   -0.001300
Br    2.282432   -5.222348   -0.672198   -0.000056    0.000332    0.000722
Rb    5.738663   -4.977222   -0.414073    0.000206   -0.000502   -0.000176
Br   -1.197239   -4.498530   -4.008187    0.000326   -0.000066    0.000262
Rb    2.225429   -4.641069   -4.105091    0.000012    0.000034   -0.000282
Br    5.636068   -4.658848   -3.825990   -0.000116    0.000092    0.000360
O     0.449207    0.336101    1.433532    0.011228   -0.001048   -0.001194
H     0.988609    1.004227    0.973604   -0.185316   -0.125242   -0.336072
H    -0.048293   -0.143419    0.712302   -0.621196    0.340142    0.470986
O     3.354903    0.118276    1.605150    0.011270   -0.001222   -0.000474
H     4.181276    0.424175    2.080567   -0.649740    0.344278    0.491962
H     2.918371   -0.483376    2.241903   -0.194892   -0.136234   -0.356622
O     0.219897    3.450672    1.842904   -0.013320   -0.019276   -0.000798
H     0.566648    4.089210    2.499446    0.206844    0.037908   -0.206186
H    -0.476640    2.932917    2.298983   -0.008494    0.222140    0.220428
O     3.596528   -2.982695    1.191812   -0.013072   -0.020174   -0.000852
H     4.294028   -2.592775    0.623236   -0.016476    0.234618    0.221380
H     3.136766   -3.651579    0.641664    0.209788    0.040796   -0.211620
O     3.181629    3.388164    1.662394    0.013332   -0.014406   -0.002150
H     3.695722    3.998775    1.100350    0.198268    0.000562    0.216524
H     2.766866    2.736283    1.025955   -0.479558    0.745440   -0.123544
O     0.618711   -2.927342    1.377639    0.014620   -0.014478   -0.002706
H     1.286082   -2.665674    2.077008   -0.471332    0.743770   -0.129124
H     0.015535   -3.552863    1.825639    0.187124    0.020868    0.225248
66
* Frequency(170)  648.4600
Rb    5.171686    5.493412   -3.155284   -0.000148    0.000156    0.000172
Rb    5.562043   -1.266956   -3.729961    0.000016    0.000136   -0.000336
Rb    5.408869   -1.937608    3.309015    0.000504   -0.001452    0.000584
Rb    4.901053    4.947552    3.659206   -0.000674   -0.000460   -0.001306
Rb    1.957029   -1.349034   -0.695797    0.002234   -0.000010   -0.000146
Rb    5.218564    1.852370   -0.104313    0.002544    0.001670   -0.002488
Rb    1.979613    2.349389   -4.303486    0.000038    0.000172    0.000064
Rb    1.843960    1.801964    3.734253    0.002250   -0.000014   -0.000252
Rb    1.514903    5.520370    0.064425    0.000032   -0.002974    0.002028
Rb   -1.599830    2.395755   -0.272536    0.000458   -0.001452    0.000558
Rb   -1.558940    5.687194   -3.359813    0.000088    0.000056    0.000150
Rb   -1.339284   -1.092422   -3.904612   -0.000154    0.000120    0.000022
Rb   -1.411399   -1.403533    3.146464    0.002444    0.001472   -0.002410
Rb   -1.930695    5.433529    3.450198    0.000168   -0.000468   -0.000122
Br    5.448756    2.177331   -3.645059    0.000030   -0.000406    0.000400
Br    5.986587   -1.504797   -0.295920   -0.000588    0.000012    0.000334
Br    5.546693    1.539244    3.505041    0.002034   -0.001992   -0.001664
Br    5.148578    5.467641    0.213958   -0.000278   -0.000230   -0.000748
Br    1.825419    5.787567   -3.475741    0.000106   -0.000120   -0.000324
Br    2.117422   -1.148781   -4.166635    0.000156   -0.000182    0.000472
Br    1.987250   -1.689036    3.998457    0.002380   -0.002298    0.000324
Br    1.525468    5.680881    3.705523   -0.000024    0.000124    0.000722
Br   -1.512738    2.349587   -3.859598    0.000194   -0.000246   -0.000044
Br   -1.743973   -1.081417   -0.461651    0.002120   -0.001992   -0.001750
Br   -2.169003    1.958240    3.335949   -0.000448    0.000006    0.000276
Br   -1.981444    5.880541   -0.008089   -0.000254    0.000236   -0.000190
Br    1.820806    2.143584   -0.961535    0.002372   -0.002424    0.000204
Br   -1.826514    5.106660    6.861613   -0.000066    0.000074    0.000304
Rb    1.583557    5.095088    7.138076    0.000002    0.000062   -0.000280
Br    5.006423    4.955369    7.048761    0.000260   -0.000132    0.000174
Rb   -1.751122    1.714631    6.770749    0.000044    0.000136   -0.000320
Br    1.693590    1.602473    7.204927    0.000232   -0.000228    0.000310
Rb    5.151270    1.548983    6.947400   -0.000130    0.000146    0.000068
Br   -1.634571   -1.730069    6.684520    0.000170   -0.000378    0.000328
Rb    1.837669   -1.897231    7.339976    0.000042    0.000176    0.000128
Br    5.328795   -1.893490    6.898073    0.000088   -0.000174   -0.000142
Rb   -1.349039   -5.047359    6.195171   -0.000106    0.000150    0.000176
Br    1.996977   -5.332853    6.508781    0.000146    0.000008   -0.000366
Rb    5.381291   -5.231541    6.394739    0.000078    0.000046    0.000158
Br   -1.333182   -5.018410    2.826620   -0.000172   -0.000132   -0.000828
Rb    2.299815   -5.064489    2.966944   -0.000014   -0.003160    0.002084
Br    5.795074   -5.422789    3.042806   -0.000254    0.000008   -0.000144
Rb   -1.094548   -4.492043   -0.617769   -0.000732   -0.000486   -0.001300
Br    2.282436   -5.222369   -0.672243   -0.000056    0.000332    0.000722
Rb    5.738650   -4.977190   -0.414062    0.000206   -0.000502   -0.000176
Br   -1.197259   -4.498526   -4.008204    0.000326   -0.000066    0.000262
Rb    2.225428   -4.641071   -4.105074    0.000012    0.000034   -0.000282
Br    5.636075   -4.658853   -3.826012   -0.000116    0.000092    0.000360
O     0.448499    0.336167    1.433608    0.011228   -0.001048   -0.001194
H     1.000288    1.012120    0.994782   -0.185316   -0.125242   -0.336072
H    -0.009147   -0.164854    0.682621   -0.621196    0.340142    0.470986
O     3.354193    0.118353    1.605180    0.011270   -0.001222   -0.000474
H     4.222221    0.402480    2.049565   -0.649740    0.344278    0.491962
H     2.930653   -0.474791    2.264377   -0.194892   -0.136234   -0.356622
O     0.220736    3.451886    1.842955   -0.013320   -0.019276   -0.000798
H     0.553613    4.086821    2.512439    0.206844    0.037908   -0.206186
H    -0.476104    2.918919    2.285092   -0.008494    0.222140    0.220428
O     3.597352   -2.981424    1.191866   -0.013072   -0.020174   -0.000852
H     4.295066   -2.607560    0.609285   -0.016476    0.234618    0.221380
H     3.123546   -3.654150    0.655000    0.209788    0.040796   -0.211620
O     3.180789    3.389071    1.662529    0.013332   -0.014406   -0.002150
H     3.683228    3.998740    1.086706    0.198268    0.000562    0.216524
H     2.797086    2.689307    1.033740   -0.479558    0.745440   -0.123544
O     0.617790   -2.926430    1.377809    0.014620   -0.014478   -0.002706
H     1.315784   -2.712545    2.085145   -0.471332    0.743770   -0.129124
H     0.003743   -3.554178    1.811444    0.187124    0.020868    0.225248
66
* Frequency(170)  648.4600
Rb    5.171691    5.493408   -3.155289   -0.000148    0.000156    0.000172
Rb    5.562042   -1.266959   -3.729952    0.000016    0.000136   -0.000336
Rb    5.408855   -1.937567    3.308998    0.000504   -0.001452    0.000584
Rb    4.901072    4.947565    3.659243   -0.000674   -0.000460   -0.001306
Rb    1.956966   -1.349034   -0.695793    0.002234   -0.000010   -0.000146
Rb    5.218492    1.852322   -0.104242    0.002544    0.001670   -0.002488
Rb    1.979612    2.349384   -4.303487    0.000038    0.000172    0.000064
Rb    1.843896    1.801965    3.734260    0.002250   -0.000014   -0.000252
Rb    1.514902    5.520454    0.064368    0.000032   -0.002974    0.002028
Rb   -1.599843    2.395796   -0.272552    0.000458   -0.001452    0.000558
Rb   -1.558943    5.687192   -3.359817    0.000088    0.000056    0.000150
Rb   -1.339279   -1.092426   -3.904613   -0.000154    0.000120    0.000022
Rb   -1.411468   -1.403574    3.146533    0.002444    0.001472   -0.002410
Rb   -1.930700    5.433542    3.450202    0.000168   -0.000468   -0.000122
Br    5.448756    2.177343   -3.645071    0.000030   -0.000406    0.000400
Br    5.986604   -1.504797   -0.295930   -0.000588    0.000012    0.000334
Br    5.546636    1.539301    3.505088    0.002034   -0.001992   -0.001664
Br    5.148586    5.467647    0.213979   -0.000278   -0.000230   -0.000748
Br    1.825416    5.787571   -3.475732    0.000106   -0.000120   -0.000324
Br    2.117418   -1.148776   -4.166649    0.000156   -0.000182    0.000472
Br    1.987183   -1.688971    3.998448    0.002380   -0.002298    0.000324
Br    1.525468    5.680878    3.705502   -0.000024    0.000124    0.000722
Br   -1.512744    2.349594   -3.859597    0.000194   -0.000246   -0.000044
Br   -1.744032   -1.081360   -0.461602    0.002120   -0.001992   -0.001750
Br   -2.168991    1.958240    3.335941   -0.000448    0.000006    0.000276
Br   -1.981436    5.880535   -0.008084   -0.000254    0.000236   -0.000190
Br    1.820739    2.143653   -0.961541    0.002372   -0.002424    0.000204
Br   -1.826512    5.106658    6.861604   -0.000066    0.000074    0.000304
Rb    1.583557    5.095086    7.138084    0.000002    0.000062   -0.000280
Br    5.006415    4.955373    7.048756    0.000260   -0.000132    0.000174
Rb   -1.751123    1.714628    6.770758    0.000044    0.000136   -0.000320
Br    1.693583    1.602480    7.204918    0.000232   -0.000228    0.000310
Rb    5.151273    1.548979    6.947398   -0.000130    0.000146    0.000068
Br   -1.634576   -1.730058    6.684511    0.000170   -0.000378    0.000328
Rb    1.837667   -1.897236    7.339972    0.000042    0.000176    0.000128
Br    5.328792   -1.893485    6.898077    0.000088   -0.000174   -0.000142
Rb   -1.349036   -5.047363    6.195166   -0.000106    0.000150    0.000176
Br    1.996973   -5.332853    6.508792    0.000146    0.000008   -0.000366
Rb    5.381289   -5.231542    6.394735    0.000078    0.000046    0.000158
Br   -1.333177   -5.018406    2.826644   -0.000172   -0.000132   -0.000828
Rb    2.299816   -5.064400    2.966885   -0.000014   -0.003160    0.002084
Br    5.795082   -5.422789    3.042810   -0.000254    0.000008   -0.000144
Rb   -1.094528   -4.492029   -0.617733   -0.000732   -0.000486   -0.001300
Br    2.282438   -5.222379   -0.672264   -0.000056    0.000332    0.000722
Rb    5.738644   -4.977176   -0.414057    0.000206   -0.000502   -0.000176
Br   -1.197269   -4.498524   -4.008211    0.000326   -0.000066    0.000262
Rb    2.225428   -4.641072   -4.105066    0.000012    0.000034   -0.000282
Br    5.636078   -4.658856   -3.826023   -0.000116    0.000092    0.000360
O     0.448182    0.336197    1.433641    0.011228   -0.001048   -0.001194
H     1.005529    1.015662    1.004287   -0.185316   -0.125242   -0.336072
H     0.008423   -0.174474    0.669300   -0.621196    0.340142    0.470986
O     3.353874    0.118387    1.605193    0.011270   -0.001222   -0.000474
H     4.240598    0.392742    2.035650   -0.649740    0.344278    0.491962
H     2.936165   -0.470938    2.274463   -0.194892   -0.136234   -0.356622
O     0.221113    3.452432    1.842977   -0.013320   -0.019276   -0.000798
H     0.547763    4.085749    2.518271    0.206844    0.037908   -0.206186
H    -0.475864    2.912636    2.278858   -0.008494    0.222140    0.220428
O     3.597722   -2.980853    1.191890   -0.013072   -0.020174   -0.000852
H     4.295532   -2.614196    0.603024   -0.016476    0.234618    0.221380
H     3.117612   -3.655304    0.660985    0.209788    0.040796   -0.211620
O     3.180412    3.389479    1.662590    0.013332   -0.014406   -0.002150
H     3.677620    3.998724    1.080581    0.198268    0.000562    0.216524
H     2.810650    2.668223    1.037235   -0.479558    0.745440   -0.123544
O     0.617376   -2.926020    1.377886    0.014620   -0.014478   -0.002706
H     1.329115   -2.733581    2.088797   -0.471332    0.743770   -0.129124
H    -0.001550   -3.554768    1.805073    0.187124    0.020868    0.225248
66
* Frequency(170)  648.4600
Rb    5.171689    5.493409   -3.155287   -0.000148    0.000156    0.000172
Rb    5.562043   -1.266958   -3.729955    0.000016    0.000136   -0.000336
Rb    5.408860   -1.937580    3.309004    0.000504   -0.001452    0.000584
Rb    4.901066    4.947561    3.659230   -0.000674   -0.000460   -0.001306
Rb    1.956987   -1.349034   -0.695794    0.002234   -0.000010   -0.000146
Rb    5.218516    1.852338   -0.104266    0.002544    0.001670   -0.002488
Rb    1.979612    2.349386   -4.303487    0.000038    0.000172    0.000064
Rb    1.843918    1.801965    3.734258    0.002250   -0.000014   -0.000252
Rb    1.514902    5.520426    0.064387    0.000032   -0.002974    0.002028
Rb   -1.599838    2.395783   -0.272546    0.000458   -0.001452    0.000558
Rb   -1.558942    5.687193   -3.359816    0.000088    0.000056    0.000150
Rb   -1.339281   -1.092425   -3.904612   -0.000154    0.000120    0.000022
Rb   -1.411445   -1.403560    3.146510    0.002444    0.001472   -0.002410
Rb   -1.930698    5.433538    3.450200    0.000168   -0.000468   -0.000122
Br    5.448756    2.177339   -3.645067    0.000030   -0.000406    0.000400
Br    5.986599   -1.504797   -0.295926   -0.000588    0.000012    0.000334
Br    5.546655    1.539282    3.505073    0.002034   -0.001992   -0.001664
Br    5.148583    5.467645    0.213972   -0.000278   -0.000230   -0.000748
Br    1.825417    5.787570   -3.475735    0.000106   -0.000120   -0.000324
Br    2.117419   -1.148777   -4.166644    0.000156   -0.000182    0.000472
Br    1.987205   -1.688993    3.998451    0.002380   -0.002298    0.000324
Br    1.525468    5.680879    3.705509   -0.000024    0.000124    0.000722
Br   -1.512742    2.349591   -3.859597    0.000194   -0.000246   -0.000044
Br   -1.744012   -1.081379   -0.461618    0.002120   -0.001992   -0.001750
Br   -2.168995    1.958240    3.335943   -0.000448    0.000006    0.000276
Br   -1.981439    5.880537   -0.008086   -0.000254    0.000236   -0.000190
Br    1.820761    2.143629   -0.961539    0.002372   -0.002424    0.000204
Br   -1.826513    5.106659    6.861607   -0.000066    0.000074    0.000304
Rb    1.583557    5.095087    7.138081    0.000002    0.000062   -0.000280
Br    5.006418    4.955372    7.048758    0.000260   -0.000132    0.000174
Rb   -1.751123    1.714629    6.770755    0.000044    0.000136   -0.000320
Br    1.693585    1.602477    7.204921    0.000232   -0.000228    0.000310
Rb    5.151272    1.548980    6.947399   -0.000130    0.000146    0.000068
Br   -1.634575   -1.730062    6.684514    0.000170   -0.000378    0.000328
Rb    1.837668   -1.897235    7.339974    0.000042    0.000176    0.000128
Br    5.328793   -1.893487    6.898075    0.000088   -0.000174   -0.000142
Rb   -1.349037   -5.047362    6.195167   -0.000106    0.000150    0.000176
Br    1.996974   -5.332853    6.508788    0.000146    0.000008   -0.000366
Rb    5.381290   -5.231542    6.394736    0.000078    0.000046    0.000158
Br   -1.333179   -5.018407    2.826636   -0.000172   -0.000132   -0.000828
Rb    2.299816   -5.064430    2.966905   -0.000014   -0.003160    0.002084
Br    5.795079   -5.422789    3.042809   -0.000254    0.000008   -0.000144
Rb   -1.094535   -4.492034   -0.617745   -0.000732   -0.000486   -0.001300
Br    2.282437   -5.222376   -0.672257   -0.000056    0.000332    0.000722
Rb    5.738646   -4.977181   -0.414058    0.000206   -0.000502   -0.000176
Br   -1.197266   -4.498525   -4.008209    0.000326   -0.000066    0.000262
Rb    2.225428   -4.641072   -4.105068    0.000012    0.000034   -0.000282
Br    5.636077   -4.658855   -3.826019   -0.000116    0.000092    0.000360
O     0.448288    0.336187    1.433630    0.011228   -0.001048   -0.001194
H     1.003766    1.014470    1.001090   -0.185316   -0.125242   -0.336072
H     0.002513   -0.171238    0.673781   -0.621196    0.340142    0.470986
O     3.353981    0.118376    1.605189    0.011270   -0.001222   -0.000474
H     4.234416    0.396018    2.040331   -0.649740    0.344278    0.491962
H     2.934311   -0.472234    2.271070   -0.194892   -0.136234   -0.356622
O     0.220986    3.452248    1.842970   -0.013320   -0.019276   -0.000798
H     0.549731    4.086109    2.516309    0.206844    0.037908   -0.206186
H    -0.475945    2.914749    2.280955   -0.008494    0.222140    0.220428
O     3.597597   -2.981045    1.191882   -0.013072   -0.020174   -0.000852
H     4.295375   -2.611964    0.605130   -0.016476    0.234618    0.221380
H     3.119608   -3.654916    0.658972    0.209788    0.040796   -0.211620
O     3.180539    3.389342    1.662569    0.013332   -0.014406   -0.002150
H     3.679507    3.998729    1.082642    0.198268    0.000562    0.216524
H     2.806087    2.675316    1.036059   -0.479558    0.745440   -0.123544
O     0.617516   -2.926158    1.377860    0.014620   -0.014478   -0.002706
H     1.324630   -2.726505    2.087568   -0.471332    0.743770   -0.129124
H     0.000231   -3.554569    1.807217    0.187124    0.020868    0.225248
66
* Frequency(170)  648.4600
Rb    5.171682    5.493416   -3.155279   -0.000148    0.000156    0.000172
Rb    5.562043   -1.266952   -3.729971    0.000016    0.000136   -0.000336
Rb    5.408883   -1.937648    3.309031    0.000504   -0.001452    0.000584
Rb    4.901034    4.947540    3.659170   -0.000674   -0.000460   -0.001306
Rb    1.957090   -1.349034   -0.695801    0.002234   -0.000010   -0.000146
Rb    5.218634    1.852416   -0.104381    0.002544    0.001670   -0.002488
Rb    1.979614    2.349394   -4.303484    0.000038    0.000172    0.000064
Rb    1.844022    1.801964    3.734246    0.002250   -0.000014   -0.000252
Rb    1.514904    5.520288    0.064481    0.000032   -0.002974    0.002028
Rb   -1.599817    2.395715   -0.272520    0.000458   -0.001452    0.000558
Rb   -1.558938    5.687196   -3.359809    0.000088    0.000056    0.000150
Rb   -1.339288   -1.092419   -3.904611   -0.000154    0.000120    0.000022
Rb   -1.411332   -1.403492    3.146398    0.002444    0.001472   -0.002410
Rb   -1.930690    5.433516    3.450195    0.000168   -0.000468   -0.000122
Br    5.448757    2.177320   -3.645048    0.000030   -0.000406    0.000400
Br    5.986571   -1.504797   -0.295911   -0.000588    0.000012    0.000334
Br    5.546749    1.539190    3.504996    0.002034   -0.001992   -0.001664
Br    5.148570    5.467634    0.213937   -0.000278   -0.000230   -0.000748
Br    1.825422    5.787564   -3.475750    0.000106   -0.000120   -0.000324
Br    2.117426   -1.148786   -4.166622    0.000156   -0.000182    0.000472
Br    1.987316   -1.689100    3.998466    0.002380   -0.002298    0.000324
Br    1.525467    5.680885    3.705542   -0.000024    0.000124    0.000722
Br   -1.512733    2.349580   -3.859599    0.000194   -0.000246   -0.000044
Br   -1.743914   -1.081471   -0.461699    0.002120   -0.001992   -0.001750
Br   -2.169016    1.958240    3.335956   -0.000448    0.000006    0.000276
Br   -1.981451    5.880548   -0.008094   -0.000254    0.000236   -0.000190
Br    1.820871    2.143517   -0.961530    0.002372   -0.002424    0.000204
Br   -1.826516    5.106662    6.861621   -0.000066    0.000074    0.000304
Rb    1.583557    5.095090    7.138068    0.000002    0.000062   -0.000280
Br    5.006430    4.955366    7.048766    0.000260   -0.000132    0.000174
Rb   -1.751121    1.714635    6.770740    0.000044    0.000136   -0.000320
Br    1.693596    1.602467    7.204935    0.000232   -0.000228    0.000310
Rb    5.151266    1.548987    6.947402   -0.000130    0.000146    0.000068
Br   -1.634567   -1.730079    6.684529    0.000170   -0.000378    0.000328
Rb    1.837670   -1.897227    7.339979    0.000042    0.000176    0.000128
Br    5.328797   -1.893495    6.898069    0.000088   -0.000174   -0.000142
Rb   -1.349042   -5.047355    6.195175   -0.000106    0.000150    0.000176
Br    1.996981   -5.332852    6.508771    0.000146    0.000008   -0.000366
Rb    5.381293   -5.231539    6.394744    0.000078    0.000046    0.000158
Br   -1.333187   -5.018413    2.826598   -0.000172   -0.000132   -0.000828
Rb    2.299815   -5.064576    2.967001   -0.000014   -0.003160    0.002084
Br    5.795067   -5.422788    3.042802   -0.000254    0.000008   -0.000144
Rb   -1.094569   -4.492057   -0.617805   -0.000732   -0.000486   -0.001300
Br    2.282434   -5.222360   -0.672224   -0.000056    0.000332    0.000722
Rb    5.738656   -4.977204   -0.414066    0.000206   -0.000502   -0.000176
Br   -1.197251   -4.498528   -4.008197    0.000326   -0.000066    0.000262
Rb    2.225428   -4.641070   -4.105081    0.000012    0.000034   -0.000282
Br    5.636072   -4.658851   -3.826002   -0.000116    0.000092    0.000360
O     0.448808    0.336138    1.433575    0.011228   -0.001048   -0.001194
H     0.995189    1.008674    0.985536   -0.185316   -0.125242   -0.336072
H    -0.026237   -0.155495    0.695579   -0.621196    0.340142    0.470986
O     3.354503    0.118319    1.605167    0.011270   -0.001222   -0.000474
H     4.204345    0.411952    2.063100   -0.649740    0.344278    0.491962
H     2.925291   -0.478539    2.254565   -0.194892   -0.136234   -0.356622
O     0.220370    3.451356    1.842933   -0.013320   -0.019276   -0.000798
H     0.559304    4.087864    2.506766    0.206844    0.037908   -0.206186
H    -0.476338    2.925030    2.291157   -0.008494    0.222140    0.220428
O     3.596992   -2.981979    1.191843   -0.013072   -0.020174   -0.000852
H     4.294613   -2.601105    0.615376   -0.016476    0.234618    0.221380
H     3.129317   -3.653028    0.649177    0.209788    0.040796   -0.211620
O     3.181156    3.388675    1.662470    0.013332   -0.014406   -0.002150
H     3.688683    3.998755    1.092663    0.198268    0.000562    0.216524
H     2.783892    2.709816    1.030341   -0.479558    0.745440   -0.123544
O     0.618192   -2.926828    1.377735    0.014620   -0.014478   -0.002706
H     1.302816   -2.692082    2.081592   -0.471332    0.743770   -0.129124
H     0.008891   -3.553603    1.817641    0.187124    0.020868    0.225248
66
* Frequency(170)  648.4600
Rb    5.171671    5.493428   -3.155266   -0.000148    0.000156    0.000172
Rb    5.562045   -1.266941   -3.729997    0.000016    0.000136   -0.000336
Rb    5.408923   -1.937761    3.309076    0.000504   -0.001452    0.000584
Rb    4.900982    4.947504    3.659068   -0.000674   -0.000460   -0.001306
Rb    1.957265   -1.349035   -0.695813    0.002234   -0.000010   -0.000146
Rb    5.218832    1.852546   -0.104575    0.002544    0.001670   -0.002488
Rb    1.979617    2.349407   -4.303479    0.000038    0.000172    0.000064
Rb    1.844197    1.801963    3.734226    0.002250   -0.000014   -0.000252
Rb    1.514906    5.520056    0.064639    0.000032   -0.002974    0.002028
Rb   -1.599781    2.395602   -0.272477    0.000458   -0.001452    0.000558
Rb   -1.558931    5.687200   -3.359797    0.000088    0.000056    0.000150
Rb   -1.339300   -1.092410   -3.904610   -0.000154    0.000120    0.000022
Rb   -1.411141   -1.403377    3.146210    0.002444    0.001472   -0.002410
Rb   -1.930677    5.433480    3.450185    0.000168   -0.000468   -0.000122
Br    5.448760    2.177288   -3.645017    0.000030   -0.000406    0.000400
Br    5.986525   -1.504796   -0.295885   -0.000588    0.000012    0.000334
Br    5.546908    1.539034    3.504866    0.002034   -0.001992   -0.001664
Br    5.148549    5.467616    0.213879   -0.000278   -0.000230   -0.000748
Br    1.825430    5.787555   -3.475775    0.000106   -0.000120   -0.000324
Br    2.117438   -1.148800   -4.166585    0.000156   -0.000182    0.000472
Br    1.987501   -1.689279    3.998491    0.002380   -0.002298    0.000324
Br    1.525465    5.680894    3.705599   -0.000024    0.000124    0.000722
Br   -1.512718    2.349561   -3.859603    0.000194   -0.000246   -0.000044
Br   -1.743749   -1.081627   -0.461836    0.002120   -0.001992   -0.001750
Br   -2.169051    1.958241    3.335978   -0.000448    0.000006    0.000276
Br   -1.981470    5.880566   -0.008109   -0.000254    0.000236   -0.000190
Br    1.821056    2.143328   -0.961514    0.002372   -0.002424    0.000204
Br   -1.826521    5.106668    6.861645   -0.000066    0.000074    0.000304
Rb    1.583558    5.095095    7.138046    0.000002    0.000062   -0.000280
Br    5.006450    4.955355    7.048780    0.000260   -0.000132    0.000174
Rb   -1.751117    1.714646    6.770715    0.000044    0.000136   -0.000320
Br    1.693614    1.602449    7.204959    0.000232   -0.000228    0.000310
Rb    5.151256    1.548999    6.947407   -0.000130    0.000146    0.000068
Br   -1.634554   -1.730109    6.684554    0.000170   -0.000378    0.000328
Rb    1.837673   -1.897213    7.339989    0.000042    0.000176    0.000128
Br    5.328804   -1.893509    6.898058    0.000088   -0.000174   -0.000142
Rb   -1.349050   -5.047343    6.195189   -0.000106    0.000150    0.000176
Br    1.996993   -5.332852    6.508743    0.000146    0.000008   -0.000366
Rb    5.381299   -5.231536    6.394756    0.000078    0.000046    0.000158
Br   -1.333200   -5.018424    2.826533   -0.000172   -0.000132   -0.000828
Rb    2.299814   -5.064823    2.967164   -0.000014   -0.003160    0.002084
Br    5.795048   -5.422788    3.042791   -0.000254    0.000008   -0.000144
Rb   -1.094626   -4.492095   -0.617907   -0.000732   -0.000486   -0.001300
Br    2.282430   -5.222334   -0.672167   -0.000056    0.000332    0.000722
Rb    5.738672   -4.977243   -0.414080    0.000206   -0.000502   -0.000176
Br   -1.197225   -4.498533   -4.008176    0.000326   -0.000066    0.000262
Rb    2.225429   -4.641067   -4.105103    0.000012    0.000034   -0.000282
Br    5.636063   -4.658844   -3.825974   -0.000116    0.000092    0.000360
O     0.449684    0.336056    1.433482    0.011228   -0.001048   -0.001194
H     0.980728    0.998901    0.959311   -0.185316   -0.125242   -0.336072
H    -0.074712   -0.128953    0.732332   -0.621196    0.340142    0.470986
O     3.355382    0.118224    1.605130    0.011270   -0.001222   -0.000474
H     4.153643    0.438817    2.101490   -0.649740    0.344278    0.491962
H     2.910083   -0.489170    2.226737   -0.194892   -0.136234   -0.356622
O     0.219330    3.449852    1.842871   -0.013320   -0.019276   -0.000798
H     0.575445    4.090822    2.490677    0.206844    0.037908   -0.206186
H    -0.477001    2.942365    2.308358   -0.008494    0.222140    0.220428
O     3.595972   -2.983553    1.191776   -0.013072   -0.020174   -0.000852
H     4.293327   -2.582797    0.632651   -0.016476    0.234618    0.221380
H     3.145688   -3.649844    0.632664    0.209788    0.040796   -0.211620
O     3.182196    3.387551    1.662302    0.013332   -0.014406   -0.002150
H     3.704154    3.998799    1.109559    0.198268    0.000562    0.216524
H     2.746471    2.767985    1.020701   -0.479558    0.745440   -0.123544
O     0.619333   -2.927958    1.377524    0.014620   -0.014478   -0.002706
H     1.266036   -2.634043    2.071516   -0.471332    0.743770   -0.129124
H     0.023493   -3.551975    1.835218    0.187124    0.020868    0.225248
66
* Frequency(170)  648.4600
Rb    5.171656    5.493444   -3.155249   -0.000148    0.000156    0.000172
Rb    5.562046   -1.266927   -3.730031    0.000016    0.000136   -0.000336
Rb    5.408974   -1.937908    3.309136    0.000504   -0.001452    0.000584
Rb    4.900914    4.947457    3.658935   -0.000674   -0.000460   -0.001306
Rb    1.957491   -1.349036   -0.695827    0.002234   -0.000010   -0.000146
Rb    5.219090    1.852715   -0.104827    0.002544    0.001670   -0.002488
Rb    1.979621    2.349424   -4.303472    0.000038    0.000172    0.000064
Rb    1.844425    1.801962    3.734201    0.002250   -0.000014   -0.000252
Rb    1.514909    5.519755    0.064845    0.000032   -0.002974    0.002028
Rb   -1.599735    2.395455   -0.272420    0.000458   -0.001452    0.000558
Rb   -1.558922    5.687206   -3.359782    0.000088    0.000056    0.000150
Rb   -1.339315   -1.092398   -3.904608   -0.000154    0.000120    0.000022
Rb   -1.410894   -1.403228    3.145966    0.002444    0.001472   -0.002410
Rb   -1.930660    5.433432    3.450173    0.000168   -0.000468   -0.000122
Br    5.448763    2.177247   -3.644976    0.000030   -0.000406    0.000400
Br    5.986466   -1.504794   -0.295851   -0.000588    0.000012    0.000334
Br    5.547114    1.538832    3.504697    0.002034   -0.001992   -0.001664
Br    5.148521    5.467593    0.213803   -0.000278   -0.000230   -0.000748
Br    1.825441    5.787543   -3.475808    0.000106   -0.000120   -0.000324
Br    2.117454   -1.148818   -4.166538    0.000156   -0.000182    0.000472
Br    1.987743   -1.689512    3.998524    0.002380   -0.002298    0.000324
Br    1.525463    5.680907    3.705672   -0.000024    0.000124    0.000722
Br   -1.512698    2.349536   -3.859607    0.000194   -0.000246   -0.000044
Br   -1.743534   -1.081829   -0.462013    0.002120   -0.001992   -0.001750
Br   -2.169096    1.958241    3.336006   -0.000448    0.000006    0.000276
Br   -1.981496    5.880590   -0.008128   -0.000254    0.000236   -0.000190
Br    1.821296    2.143082   -0.961493    0.002372   -0.002424    0.000204
Br   -1.826527    5.106676    6.861675   -0.000066    0.000074    0.000304
Rb    1.583558    5.095101    7.138018    0.000002    0.000062   -0.000280
Br    5.006476    4.955342    7.048797    0.000260   -0.000132    0.000174
Rb   -1.751113    1.714660    6.770682    0.000044    0.000136   -0.000320
Br    1.693638    1.602426    7.204991    0.000232   -0.000228    0.000310
Rb    5.151243    1.549013    6.947414   -0.000130    0.000146    0.000068
Br   -1.634536   -1.730147    6.684588    0.000170   -0.000378    0.000328
Rb    1.837677   -1.897195    7.340002    0.000042    0.000176    0.000128
Br    5.328813   -1.893526    6.898043    0.000088   -0.000174   -0.000142
Rb   -1.349061   -5.047328    6.195207   -0.000106    0.000150    0.000176
Br    1.997007   -5.332851    6.508706    0.000146    0.000008   -0.000366
Rb    5.381307   -5.231531    6.394772    0.000078    0.000046    0.000158
Br   -1.333217   -5.018437    2.826449   -0.000172   -0.000132   -0.000828
Rb    2.299813   -5.065143    2.967375   -0.000014   -0.003160    0.002084
Br    5.795022   -5.422787    3.042776   -0.000254    0.000008   -0.000144
Rb   -1.094700   -4.492144   -0.618038   -0.000732   -0.000486   -0.001300
Br    2.282424   -5.222301   -0.672094   -0.000056    0.000332    0.000722
Rb    5.738693   -4.977294   -0.414098    0.000206   -0.000502   -0.000176
Br   -1.197192   -4.498539   -4.008150    0.000326   -0.000066    0.000262
Rb    2.225431   -4.641064   -4.105132    0.000012    0.000034   -0.000282
Br    5.636051   -4.658834   -3.825938   -0.000116    0.000092    0.000360
O     0.450822    0.335950    1.433361    0.011228   -0.001048   -0.001194
H     0.961950    0.986210    0.925257   -0.185316   -0.125242   -0.336072
H    -0.137657   -0.094486    0.780057   -0.621196    0.340142    0.470986
O     3.356524    0.118100    1.605082    0.011270   -0.001222   -0.000474
H     4.087806    0.473703    2.151340   -0.649740    0.344278    0.491962
H     2.890334   -0.502975    2.190600   -0.194892   -0.136234   -0.356622
O     0.217981    3.447899    1.842790   -0.013320   -0.019276   -0.000798
H     0.596404    4.094663    2.469784    0.206844    0.037908   -0.206186
H    -0.477862    2.964874    2.330694   -0.008494    0.222140    0.220428
O     3.594648   -2.985597    1.191690   -0.013072   -0.020174   -0.000852
H     4.291657   -2.559023    0.655083   -0.016476    0.234618    0.221380
H     3.166946   -3.645710    0.611221    0.209788    0.040796   -0.211620
O     3.183547    3.386091    1.662084    0.013332   -0.014406   -0.002150
H     3.724245    3.998856    1.131499    0.198268    0.000562    0.216524
H     2.697877    2.843521    1.008182   -0.479558    0.745440   -0.123544
O     0.620815   -2.929425    1.377250    0.014620   -0.014478   -0.002706
H     1.218276   -2.558677    2.058432   -0.471332    0.743770   -0.129124
H     0.042454   -3.549861    1.858043    0.187124    0.020868    0.225248
66
* Frequency(170)  648.4600
Rb    5.171639    5.493462   -3.155229   -0.000148    0.000156    0.000172
Rb    5.562048   -1.266912   -3.730069    0.000016    0.000136   -0.000336
Rb    5.409031   -1.938073    3.309202    0.000504   -0.001452    0.000584
Rb    4.900837    4.947405    3.658787   -0.000674   -0.000460   -0.001306
Rb    1.957745   -1.349037   -0.695844    0.002234   -0.000010   -0.000146
Rb    5.219379    1.852905   -0.105110    0.002544    0.001670   -0.002488
Rb    1.979625    2.349444   -4.303465    0.000038    0.000172    0.000064
Rb    1.844681    1.801960    3.734172    0.002250   -0.000014   -0.000252
Rb    1.514913    5.519417    0.065075    0.000032   -0.002974    0.002028
Rb   -1.599683    2.395290   -0.272357    0.000458   -0.001452    0.000558
Rb   -1.558912    5.687212   -3.359765    0.000088    0.000056    0.000150
Rb   -1.339333   -1.092384   -3.904605   -0.000154    0.000120    0.000022
Rb   -1.410616   -1.403061    3.145692    0.002444    0.001472   -0.002410
Rb   -1.930641    5.433379    3.450159    0.000168   -0.000468   -0.000122
Br    5.448766    2.177201   -3.644931    0.000030   -0.000406    0.000400
Br    5.986399   -1.504793   -0.295813   -0.000588    0.000012    0.000334
Br    5.547345    1.538606    3.504508    0.002034   -0.001992   -0.001664
Br    5.148489    5.467567    0.213718   -0.000278   -0.000230   -0.000748
Br    1.825453    5.787529   -3.475845    0.000106   -0.000120   -0.000324
Br    2.117472   -1.148839   -4.166484    0.000156   -0.000182    0.000472
Br    1.988013   -1.689773    3.998561    0.002380   -0.002298    0.000324
Br    1.525460    5.680921    3.705754   -0.000024    0.000124    0.000722
Br   -1.512676    2.349508   -3.859612    0.000194   -0.000246   -0.000044
Br   -1.743293   -1.082055   -0.462212    0.002120   -0.001992   -0.001750
Br   -2.169147    1.958242    3.336037   -0.000448    0.000006    0.000276
Br   -1.981525    5.880617   -0.008150   -0.000254    0.000236   -0.000190
Br    1.821566    2.142807   -0.961470    0.002372   -0.002424    0.000204
Br   -1.826535    5.106684    6.861710   -0.000066    0.000074    0.000304
Rb    1.583558    5.095108    7.137986    0.000002    0.000062   -0.000280
Br    5.006506    4.955327    7.048817    0.000260   -0.000132    0.000174
Rb   -1.751108    1.714675    6.770646    0.000044    0.000136   -0.000320
Br    1.693664    1.602400    7.205026    0.000232   -0.000228    0.000310
Rb    5.151228    1.549030    6.947422   -0.000130    0.000146    0.000068
Br   -1.634517   -1.730190    6.684625    0.000170   -0.000378    0.000328
Rb    1.837682   -1.897175    7.340017    0.000042    0.000176    0.000128
Br    5.328823   -1.893546    6.898027    0.000088   -0.000174   -0.000142
Rb   -1.349073   -5.047311    6.195227   -0.000106    0.000150    0.000176
Br    1.997024   -5.332850    6.508664    0.000146    0.000008   -0.000366
Rb    5.381316   -5.231526    6.394790    0.000078    0.000046    0.000158
Br   -1.333237   -5.018452    2.826355   -0.000172   -0.000132   -0.000828
Rb    2.299811   -5.065502    2.967612   -0.000014   -0.003160    0.002084
Br    5.794993   -5.422786    3.042760   -0.000254    0.000008   -0.000144
Rb   -1.094783   -4.492199   -0.618186   -0.000732   -0.000486   -0.001300
Br    2.282418   -5.222263   -0.672012   -0.000056    0.000332    0.000722
Rb    5.738716   -4.977351   -0.414118    0.000206   -0.000502   -0.000176
Br   -1.197155   -4.498547   -4.008120    0.000326   -0.000066    0.000262
Rb    2.225432   -4.641060   -4.105164    0.000012    0.000034   -0.000282
Br    5.636038   -4.658824   -3.825897   -0.000116    0.000092    0.000360
O     0.452098    0.335831    1.433225    0.011228   -0.001048   -0.001194
H     0.940890    0.971977    0.887064   -0.185316   -0.125242   -0.336072
H    -0.208253   -0.055831    0.833582   -0.621196    0.340142    0.470986
O     3.357805    0.117961    1.605028    0.011270   -0.001222   -0.000474
H     4.013966    0.512828    2.207249   -0.649740    0.344278    0.491962
H     2.868186   -0.518457    2.150072   -0.194892   -0.136234   -0.356622
O     0.216467    3.445708    1.842699   -0.013320   -0.019276   -0.000798
H     0.619911    4.098971    2.446352    0.206844    0.037908   -0.206186
H    -0.478827    2.990119    2.355744   -0.008494    0.222140    0.220428
O     3.593162   -2.987890    1.191593   -0.013072   -0.020174   -0.000852
H     4.289785   -2.532360    0.680242   -0.016476    0.234618    0.221380
H     3.190787   -3.641074    0.587171    0.209788    0.040796   -0.211620
O     3.185062    3.384454    1.661840    0.013332   -0.014406   -0.002150
H     3.746777    3.998920    1.156106    0.198268    0.000562    0.216524
H     2.643378    2.928236    0.994142   -0.479558    0.745440   -0.123544
O     0.622476   -2.931070    1.376942    0.014620   -0.014478   -0.002706
H     1.164712   -2.474151    2.043758   -0.471332    0.743770   -0.129124
H     0.063720   -3.547489    1.883641    0.187124    0.020868    0.225248
