66
* (null), Energy   -1000.0000000
Rb    5.171639    5.493462   -3.155229   -0.000064   -0.000046   -0.000036
Rb    5.562048   -1.266912   -3.730069   -0.000100   -0.000142    0.000138
Rb    5.409031   -1.938073    3.309202   -0.001254    0.002138   -0.001988
Rb    4.900837    4.947405    3.658787   -0.000244   -0.000358   -0.000892
Rb    1.957745   -1.349037   -0.695844   -0.003874    0.002414    0.002844
Rb    5.219379    1.852905   -0.105110    0.002064   -0.001996   -0.000672
Rb    1.979625    2.349444   -4.303465   -0.000008   -0.000198   -0.000018
Rb    1.844681    1.801960    3.734172   -0.003226    0.002064    0.002222
Rb    1.514913    5.519417    0.065075    0.000568   -0.002196    0.001146
Rb   -1.599683    2.395290   -0.272357   -0.001496    0.002516   -0.002318
Rb   -1.558912    5.687212   -3.359765   -0.000004   -0.000026   -0.000132
Rb   -1.339333   -1.092384   -3.904605    0.000112   -0.000054   -0.000036
Rb   -1.410616   -1.403061    3.145692    0.002370   -0.002486   -0.000574
Rb   -1.930641    5.433379    3.450159   -0.000262    0.000022   -0.000028
Br    5.448766    2.177201   -3.644931   -0.000006    0.000106   -0.000128
Br    5.986399   -1.504793   -0.295813    0.000366   -0.001148   -0.000970
Br    5.547345    1.538606    3.504508   -0.002048    0.001478    0.001174
Br    5.148489    5.467567    0.213718   -0.000358   -0.000230   -0.000468
Br    1.825453    5.787529   -3.475845   -0.000132   -0.000004   -0.000154
Br    2.117472   -1.148839   -4.166484   -0.000114   -0.000216   -0.000510
Br    1.988013   -1.689773    3.998561    0.000842   -0.000606    0.000486
Br    1.525460    5.680921    3.705754   -0.000758   -0.000106    0.000172
Br   -1.512676    2.349508   -3.859612   -0.000206    0.000126    0.000076
Br   -1.743293   -1.082055   -0.462212   -0.002660    0.001626    0.001338
Br   -2.169147    1.958242    3.336037    0.000276   -0.001188   -0.001088
Br   -1.981525    5.880617   -0.008150   -0.000280   -0.000216    0.000058
Br    1.821566    2.142807   -0.961470    0.000634   -0.000348    0.000262
Br   -1.826535    5.106684    6.861710   -0.000174   -0.000210   -0.000116
Rb    1.583558    5.095108    7.137986   -0.000028    0.000030   -0.000070
Br    5.006506    4.955327    7.048817   -0.000060   -0.000140    0.000052
Rb   -1.751108    1.714675    6.770646   -0.000038   -0.000166    0.000144
Br    1.693664    1.602400    7.205026   -0.000156   -0.000182   -0.000398
Rb    5.151228    1.549030    6.947422    0.000064   -0.000066   -0.000084
Br   -1.634517   -1.730190    6.684625   -0.000066    0.000092   -0.000098
Rb    1.837682   -1.897175    7.340017   -0.000022   -0.000180   -0.000044
Br    5.328823   -1.893546    6.898027   -0.000160    0.000070    0.000122
Rb   -1.349073   -5.047311    6.195227   -0.000054   -0.000014   -0.000036
Br    1.997024   -5.332850    6.508664   -0.000136   -0.000044   -0.000158
Rb    5.381316   -5.231526    6.394790   -0.000016   -0.000028   -0.000110
Br   -1.333237   -5.018452    2.826355   -0.000450   -0.000346   -0.000530
Rb    2.299811   -5.065502    2.967612    0.000588   -0.002542    0.001274
Br    5.794993   -5.422786    3.042760   -0.000268   -0.000166    0.000048
Rb   -1.094783   -4.492199   -0.618186   -0.000300   -0.000370   -0.001006
Br    2.282418   -5.222263   -0.672012   -0.000734   -0.000242    0.000188
Rb    5.738716   -4.977351   -0.414118   -0.000254    0.000020   -0.000046
Br   -1.197155   -4.498547   -4.008120   -0.000078   -0.000164    0.000070
Rb    2.225432   -4.641060   -4.105164   -0.000062    0.000070   -0.000068
Br    5.636038   -4.658824   -3.825897   -0.000140   -0.000246   -0.000144
O     0.452098    0.335831    1.433225   -0.010848    0.043564    0.015986
H     0.940890    0.971977    0.887064    0.134536   -0.041758    0.046532
H    -0.208253   -0.055831    0.833582    0.811892   -0.803958   -0.342328
O     3.357805    0.117961    1.605028   -0.010796    0.037080    0.013732
H     4.013966    0.512828    2.207249    0.669722   -0.683152   -0.259540
H     2.868186   -0.518457    2.150072    0.097562   -0.042068    0.017678
O     0.216467    3.445708    1.842699   -0.015474   -0.010232    0.000512
H     0.619911    4.098971    2.446352    0.258394   -0.083864   -0.102784
H    -0.478827    2.990119    2.355744   -0.038680    0.180012    0.142514
O     3.593162   -2.987890    1.191593   -0.014744   -0.011718    0.001052
H     4.289785   -2.532360    0.680242   -0.041222    0.189578    0.148324
H     3.190787   -3.641074    0.587171    0.254438   -0.073298   -0.111438
O     3.185062    3.384454    1.661840    0.010554   -0.021468   -0.003704
H     3.746777    3.998920    1.156106    0.067000    0.092352    0.197212
H     2.643378    2.928236    0.994142   -0.381028    0.600580   -0.110910
O     0.622476   -2.931070    1.376942    0.011628   -0.024730   -0.004664
H     1.164712   -2.474151    2.043758   -0.414428    0.665466   -0.131020
H     0.063720   -3.547489    1.883641    0.066532    0.119426    0.231656
66
* Frequency(172)  671.9700
Rb    5.171632    5.493457   -3.155233   -0.000064   -0.000046   -0.000036
Rb    5.562037   -1.266928   -3.730053   -0.000100   -0.000142    0.000138
Rb    5.408888   -1.937830    3.308976   -0.001254    0.002138   -0.001988
Rb    4.900809    4.947364    3.658686   -0.000244   -0.000358   -0.000892
Rb    1.957305   -1.348763   -0.695521   -0.003874    0.002414    0.002844
Rb    5.219614    1.852678   -0.105186    0.002064   -0.001996   -0.000672
Rb    1.979624    2.349421   -4.303467   -0.000008   -0.000198   -0.000018
Rb    1.844314    1.802195    3.734425   -0.003226    0.002064    0.002222
Rb    1.514978    5.519167    0.065205    0.000568   -0.002196    0.001146
Rb   -1.599853    2.395576   -0.272620   -0.001496    0.002516   -0.002318
Rb   -1.558912    5.687209   -3.359780   -0.000004   -0.000026   -0.000132
Rb   -1.339320   -1.092390   -3.904609    0.000112   -0.000054   -0.000036
Rb   -1.410347   -1.403344    3.145627    0.002370   -0.002486   -0.000574
Rb   -1.930671    5.433382    3.450156   -0.000262    0.000022   -0.000028
Br    5.448765    2.177213   -3.644946   -0.000006    0.000106   -0.000128
Br    5.986441   -1.504923   -0.295923    0.000366   -0.001148   -0.000970
Br    5.547112    1.538774    3.504641   -0.002048    0.001478    0.001174
Br    5.148448    5.467541    0.213665   -0.000358   -0.000230   -0.000468
Br    1.825438    5.787529   -3.475863   -0.000132   -0.000004   -0.000154
Br    2.117459   -1.148864   -4.166542   -0.000114   -0.000216   -0.000510
Br    1.988109   -1.689842    3.998616    0.000842   -0.000606    0.000486
Br    1.525374    5.680909    3.705774   -0.000758   -0.000106    0.000172
Br   -1.512699    2.349522   -3.859603   -0.000206    0.000126    0.000076
Br   -1.743595   -1.081870   -0.462060   -0.002660    0.001626    0.001338
Br   -2.169116    1.958107    3.335913    0.000276   -0.001188   -0.001088
Br   -1.981557    5.880592   -0.008143   -0.000280   -0.000216    0.000058
Br    1.821638    2.142767   -0.961440    0.000634   -0.000348    0.000262
Br   -1.826555    5.106660    6.861697   -0.000174   -0.000210   -0.000116
Rb    1.583555    5.095111    7.137978   -0.000028    0.000030   -0.000070
Br    5.006499    4.955311    7.048823   -0.000060   -0.000140    0.000052
Rb   -1.751112    1.714656    6.770662   -0.000038   -0.000166    0.000144
Br    1.693646    1.602379    7.204981   -0.000156   -0.000182   -0.000398
Rb    5.151235    1.549022    6.947412    0.000064   -0.000066   -0.000084
Br   -1.634525   -1.730180    6.684614   -0.000066    0.000092   -0.000098
Rb    1.837679   -1.897195    7.340012   -0.000022   -0.000180   -0.000044
Br    5.328805   -1.893538    6.898041   -0.000160    0.000070    0.000122
Rb   -1.349079   -5.047313    6.195223   -0.000054   -0.000014   -0.000036
Br    1.997009   -5.332855    6.508646   -0.000136   -0.000044   -0.000158
Rb    5.381314   -5.231529    6.394777   -0.000016   -0.000028   -0.000110
Br   -1.333288   -5.018491    2.826295   -0.000450   -0.000346   -0.000530
Rb    2.299878   -5.065791    2.967757    0.000588   -0.002542    0.001274
Br    5.794963   -5.422805    3.042765   -0.000268   -0.000166    0.000048
Rb   -1.094817   -4.492241   -0.618300   -0.000300   -0.000370   -0.001006
Br    2.282335   -5.222291   -0.671991   -0.000734   -0.000242    0.000188
Rb    5.738687   -4.977349   -0.414123   -0.000254    0.000020   -0.000046
Br   -1.197164   -4.498566   -4.008112   -0.000078   -0.000164    0.000070
Rb    2.225425   -4.641052   -4.105172   -0.000062    0.000070   -0.000068
Br    5.636022   -4.658852   -3.825913   -0.000140   -0.000246   -0.000144
O     0.450865    0.340782    1.435042   -0.010848    0.043564    0.015986
H     0.956179    0.967231    0.892352    0.134536   -0.041758    0.046532
H    -0.115986   -0.147197    0.794678    0.811892   -0.803958   -0.342328
O     3.356578    0.122175    1.606589   -0.010796    0.037080    0.013732
H     4.090076    0.435191    2.177754    0.669722   -0.683152   -0.259540
H     2.879273   -0.523238    2.152081    0.097562   -0.042068    0.017678
O     0.214708    3.444545    1.842757   -0.015474   -0.010232    0.000512
H     0.649276    4.089440    2.434671    0.258394   -0.083864   -0.102784
H    -0.483223    3.010576    2.371940   -0.038680    0.180012    0.142514
O     3.591486   -2.989222    1.191713   -0.014744   -0.011718    0.001052
H     4.285100   -2.510815    0.697098   -0.041222    0.189578    0.148324
H     3.219703   -3.649404    0.574507    0.254438   -0.073298   -0.111438
O     3.186261    3.382014    1.661419    0.010554   -0.021468   -0.003704
H     3.754391    4.009415    1.178518    0.067000    0.092352    0.197212
H     2.600076    2.996489    0.981538   -0.381028    0.600580   -0.110910
O     0.623797   -2.933880    1.376412    0.011628   -0.024730   -0.004664
H     1.117614   -2.398524    2.028868   -0.414428    0.665466   -0.131020
H     0.071281   -3.533917    1.909968    0.066532    0.119426    0.231656
66
* Frequency(172)  671.9700
Rb    5.171625    5.493452   -3.155237   -0.000064   -0.000046   -0.000036
Rb    5.562027   -1.266943   -3.730039   -0.000100   -0.000142    0.000138
Rb    5.408761   -1.937613    3.308775   -0.001254    0.002138   -0.001988
Rb    4.900785    4.947328    3.658595   -0.000244   -0.000358   -0.000892
Rb    1.956912   -1.348518   -0.695233   -0.003874    0.002414    0.002844
Rb    5.219823    1.852476   -0.105254    0.002064   -0.001996   -0.000672
Rb    1.979623    2.349401   -4.303469   -0.000008   -0.000198   -0.000018
Rb    1.843987    1.802404    3.734650   -0.003226    0.002064    0.002222
Rb    1.515035    5.518945    0.065321    0.000568   -0.002196    0.001146
Rb   -1.600005    2.395831   -0.272855   -0.001496    0.002516   -0.002318
Rb   -1.558913    5.687206   -3.359793   -0.000004   -0.000026   -0.000132
Rb   -1.339309   -1.092396   -3.904613    0.000112   -0.000054   -0.000036
Rb   -1.410107   -1.403595    3.145569    0.002370   -0.002486   -0.000574
Rb   -1.930697    5.433384    3.450153   -0.000262    0.000022   -0.000028
Br    5.448765    2.177224   -3.644959   -0.000006    0.000106   -0.000128
Br    5.986478   -1.505040   -0.296022    0.000366   -0.001148   -0.000970
Br    5.546905    1.538924    3.504760   -0.002048    0.001478    0.001174
Br    5.148412    5.467518    0.213617   -0.000358   -0.000230   -0.000468
Br    1.825425    5.787528   -3.475878   -0.000132   -0.000004   -0.000154
Br    2.117447   -1.148885   -4.166594   -0.000114   -0.000216   -0.000510
Br    1.988194   -1.689903    3.998665    0.000842   -0.000606    0.000486
Br    1.525297    5.680898    3.705791   -0.000758   -0.000106    0.000172
Br   -1.512720    2.349535   -3.859596   -0.000206    0.000126    0.000076
Br   -1.743865   -1.081705   -0.461924   -0.002660    0.001626    0.001338
Br   -2.169088    1.957987    3.335803    0.000276   -0.001188   -0.001088
Br   -1.981585    5.880571   -0.008138   -0.000280   -0.000216    0.000058
Br    1.821702    2.142732   -0.961414    0.000634   -0.000348    0.000262
Br   -1.826572    5.106639    6.861685   -0.000174   -0.000210   -0.000116
Rb    1.583552    5.095114    7.137971   -0.000028    0.000030   -0.000070
Br    5.006493    4.955297    7.048828   -0.000060   -0.000140    0.000052
Rb   -1.751116    1.714639    6.770677   -0.000038   -0.000166    0.000144
Br    1.693630    1.602361    7.204940   -0.000156   -0.000182   -0.000398
Rb    5.151242    1.549016    6.947404    0.000064   -0.000066   -0.000084
Br   -1.634531   -1.730170    6.684604   -0.000066    0.000092   -0.000098
Rb    1.837677   -1.897214    7.340008   -0.000022   -0.000180   -0.000044
Br    5.328789   -1.893531    6.898053   -0.000160    0.000070    0.000122
Rb   -1.349085   -5.047314    6.195219   -0.000054   -0.000014   -0.000036
Br    1.996995   -5.332859    6.508630   -0.000136   -0.000044   -0.000158
Rb    5.381313   -5.231532    6.394766   -0.000016   -0.000028   -0.000110
Br   -1.333334   -5.018526    2.826241   -0.000450   -0.000346   -0.000530
Rb    2.299937   -5.066048    2.967886    0.000588   -0.002542    0.001274
Br    5.794935   -5.422822    3.042770   -0.000268   -0.000166    0.000048
Rb   -1.094847   -4.492279   -0.618402   -0.000300   -0.000370   -0.001006
Br    2.282260   -5.222315   -0.671972   -0.000734   -0.000242    0.000188
Rb    5.738661   -4.977347   -0.414128   -0.000254    0.000020   -0.000046
Br   -1.197172   -4.498582   -4.008105   -0.000078   -0.000164    0.000070
Rb    2.225419   -4.641045   -4.105179   -0.000062    0.000070   -0.000068
Br    5.636008   -4.658877   -3.825928   -0.000140   -0.000246   -0.000144
O     0.449766    0.345196    1.436662   -0.010848    0.043564    0.015986
H     0.969812    0.963000    0.897067    0.134536   -0.041758    0.046532
H    -0.033717   -0.228661    0.759990    0.811892   -0.803958   -0.342328
O     3.355484    0.125932    1.607980   -0.010796    0.037080    0.013732
H     4.157939    0.365968    2.151455    0.669722   -0.683152   -0.259540
H     2.889159   -0.527501    2.153872    0.097562   -0.042068    0.017678
O     0.213140    3.443508    1.842809   -0.015474   -0.010232    0.000512
H     0.675459    4.080942    2.424256    0.258394   -0.083864   -0.102784
H    -0.487142    3.028817    2.386381   -0.038680    0.180012    0.142514
O     3.589992   -2.990409    1.191819   -0.014744   -0.011718    0.001052
H     4.280923   -2.491606    0.712128   -0.041222    0.189578    0.148324
H     3.245485   -3.656831    0.563215    0.254438   -0.073298   -0.111438
O     3.187331    3.379839    1.661044    0.010554   -0.021468   -0.003704
H     3.761180    4.018773    1.198502    0.067000    0.092352    0.197212
H     2.561467    3.057345    0.970299   -0.381028    0.600580   -0.110910
O     0.624976   -2.936386    1.375939    0.011628   -0.024730   -0.004664
H     1.075621   -2.331093    2.015592   -0.414428    0.665466   -0.131020
H     0.078023   -3.521815    1.933441    0.066532    0.119426    0.231656
66
* Frequency(172)  671.9700
Rb    5.171620    5.493449   -3.155240   -0.000064   -0.000046   -0.000036
Rb    5.562019   -1.266954   -3.730029   -0.000100   -0.000142    0.000138
Rb    5.408664   -1.937447    3.308619   -0.001254    0.002138   -0.001988
Rb    4.900766    4.947300    3.658526   -0.000244   -0.000358   -0.000892
Rb    1.956610   -1.348330   -0.695011   -0.003874    0.002414    0.002844
Rb    5.219984    1.852320   -0.105307    0.002064   -0.001996   -0.000672
Rb    1.979623    2.349386   -4.303470   -0.000008   -0.000198   -0.000018
Rb    1.843736    1.802565    3.734823   -0.003226    0.002064    0.002222
Rb    1.515079    5.518774    0.065411    0.000568   -0.002196    0.001146
Rb   -1.600121    2.396027   -0.273036   -0.001496    0.002516   -0.002318
Rb   -1.558913    5.687204   -3.359804   -0.000004   -0.000026   -0.000132
Rb   -1.339300   -1.092400   -3.904616    0.000112   -0.000054   -0.000036
Rb   -1.409922   -1.403789    3.145524    0.002370   -0.002486   -0.000574
Rb   -1.930718    5.433385    3.450151   -0.000262    0.000022   -0.000028
Br    5.448764    2.177232   -3.644969   -0.000006    0.000106   -0.000128
Br    5.986506   -1.505129   -0.296097    0.000366   -0.001148   -0.000970
Br    5.546745    1.539039    3.504852   -0.002048    0.001478    0.001174
Br    5.148384    5.467500    0.213581   -0.000358   -0.000230   -0.000468
Br    1.825414    5.787528   -3.475890   -0.000132   -0.000004   -0.000154
Br    2.117439   -1.148902   -4.166633   -0.000114   -0.000216   -0.000510
Br    1.988260   -1.689951    3.998703    0.000842   -0.000606    0.000486
Br    1.525238    5.680890    3.705804   -0.000758   -0.000106    0.000172
Br   -1.512736    2.349545   -3.859590   -0.000206    0.000126    0.000076
Br   -1.744072   -1.081579   -0.461820   -0.002660    0.001626    0.001338
Br   -2.169066    1.957894    3.335718    0.000276   -0.001188   -0.001088
Br   -1.981607    5.880554   -0.008133   -0.000280   -0.000216    0.000058
Br    1.821752    2.142705   -0.961393    0.000634   -0.000348    0.000262
Br   -1.826586    5.106622    6.861676   -0.000174   -0.000210   -0.000116
Rb    1.583550    5.095117    7.137965   -0.000028    0.000030   -0.000070
Br    5.006488    4.955286    7.048832   -0.000060   -0.000140    0.000052
Rb   -1.751119    1.714626    6.770688   -0.000038   -0.000166    0.000144
Br    1.693618    1.602347    7.204909   -0.000156   -0.000182   -0.000398
Rb    5.151247    1.549011    6.947397    0.000064   -0.000066   -0.000084
Br   -1.634536   -1.730163    6.684596   -0.000066    0.000092   -0.000098
Rb    1.837676   -1.897228    7.340004   -0.000022   -0.000180   -0.000044
Br    5.328776   -1.893525    6.898063   -0.000160    0.000070    0.000122
Rb   -1.349089   -5.047315    6.195216   -0.000054   -0.000014   -0.000036
Br    1.996984   -5.332863    6.508618   -0.000136   -0.000044   -0.000158
Rb    5.381311   -5.231534    6.394758   -0.000016   -0.000028   -0.000110
Br   -1.333369   -5.018553    2.826200   -0.000450   -0.000346   -0.000530
Rb    2.299983   -5.066247    2.967985    0.000588   -0.002542    0.001274
Br    5.794914   -5.422835    3.042774   -0.000268   -0.000166    0.000048
Rb   -1.094871   -4.492307   -0.618481   -0.000300   -0.000370   -0.001006
Br    2.282203   -5.222334   -0.671957   -0.000734   -0.000242    0.000188
Rb    5.738642   -4.977345   -0.414131   -0.000254    0.000020   -0.000046
Br   -1.197178   -4.498595   -4.008099   -0.000078   -0.000164    0.000070
Rb    2.225414   -4.641039   -4.105184   -0.000062    0.000070   -0.000068
Br    5.635997   -4.658896   -3.825939   -0.000140   -0.000246   -0.000144
O     0.448919    0.348596    1.437909   -0.010848    0.043564    0.015986
H     0.980310    0.959742    0.900698    0.134536   -0.041758    0.046532
H     0.029638   -0.291397    0.733277    0.811892   -0.803958   -0.342328
O     3.354642    0.128826    1.609052   -0.010796    0.037080    0.013732
H     4.210200    0.312659    2.131202    0.669722   -0.683152   -0.259540
H     2.896772   -0.530783    2.155252    0.097562   -0.042068    0.017678
O     0.211933    3.442710    1.842849   -0.015474   -0.010232    0.000512
H     0.695623    4.074398    2.416235    0.258394   -0.083864   -0.102784
H    -0.490161    3.042864    2.397502   -0.038680    0.180012    0.142514
O     3.588842   -2.991323    1.191901   -0.014744   -0.011718    0.001052
H     4.277707   -2.476812    0.723702   -0.041222    0.189578    0.148324
H     3.265339   -3.662551    0.554519    0.254438   -0.073298   -0.111438
O     3.188154    3.378164    1.660755    0.010554   -0.021468   -0.003704
H     3.766409    4.025980    1.213891    0.067000    0.092352    0.197212
H     2.531734    3.104211    0.961644   -0.381028    0.600580   -0.110910
O     0.625883   -2.938316    1.375575    0.011628   -0.024730   -0.004664
H     1.043281   -2.279164    2.005368   -0.414428    0.665466   -0.131020
H     0.083214   -3.512496    1.951518    0.066532    0.119426    0.231656
66
* Frequency(172)  671.9700
Rb    5.171617    5.493446   -3.155241   -0.000064   -0.000046   -0.000036
Rb    5.562014   -1.266960   -3.730022   -0.000100   -0.000142    0.000138
Rb    5.408606   -1.937348    3.308527   -0.001254    0.002138   -0.001988
Rb    4.900754    4.947284    3.658484   -0.000244   -0.000358   -0.000892
Rb    1.956431   -1.348218   -0.694879   -0.003874    0.002414    0.002844
Rb    5.220079    1.852228   -0.105338    0.002064   -0.001996   -0.000672
Rb    1.979622    2.349377   -4.303471   -0.000008   -0.000198   -0.000018
Rb    1.843586    1.802660    3.734926   -0.003226    0.002064    0.002222
Rb    1.515106    5.518672    0.065464    0.000568   -0.002196    0.001146
Rb   -1.600191    2.396144   -0.273143   -0.001496    0.002516   -0.002318
Rb   -1.558913    5.687203   -3.359810   -0.000004   -0.000026   -0.000132
Rb   -1.339295   -1.092402   -3.904617    0.000112   -0.000054   -0.000036
Rb   -1.409812   -1.403904    3.145497    0.002370   -0.002486   -0.000574
Rb   -1.930730    5.433386    3.450149   -0.000262    0.000022   -0.000028
Br    5.448764    2.177237   -3.644974   -0.000006    0.000106   -0.000128
Br    5.986523   -1.505183   -0.296142    0.000366   -0.001148   -0.000970
Br    5.546650    1.539107    3.504906   -0.002048    0.001478    0.001174
Br    5.148368    5.467489    0.213559   -0.000358   -0.000230   -0.000468
Br    1.825408    5.787528   -3.475897   -0.000132   -0.000004   -0.000154
Br    2.117433   -1.148912   -4.166657   -0.000114   -0.000216   -0.000510
Br    1.988299   -1.689979    3.998726    0.000842   -0.000606    0.000486
Br    1.525203    5.680885    3.705812   -0.000758   -0.000106    0.000172
Br   -1.512746    2.349551   -3.859586   -0.000206    0.000126    0.000076
Br   -1.744196   -1.081503   -0.461758   -0.002660    0.001626    0.001338
Br   -2.169053    1.957839    3.335668    0.000276   -0.001188   -0.001088
Br   -1.981620    5.880544   -0.008130   -0.000280   -0.000216    0.000058
Br    1.821781    2.142689   -0.961381    0.000634   -0.000348    0.000262
Br   -1.826594    5.106613    6.861671   -0.000174   -0.000210   -0.000116
Rb    1.583548    5.095118    7.137962   -0.000028    0.000030   -0.000070
Br    5.006486    4.955279    7.048835   -0.000060   -0.000140    0.000052
Rb   -1.751121    1.714619    6.770695   -0.000038   -0.000166    0.000144
Br    1.693611    1.602338    7.204891   -0.000156   -0.000182   -0.000398
Rb    5.151250    1.549008    6.947393    0.000064   -0.000066   -0.000084
Br   -1.634539   -1.730159    6.684592   -0.000066    0.000092   -0.000098
Rb    1.837675   -1.897236    7.340002   -0.000022   -0.000180   -0.000044
Br    5.328769   -1.893522    6.898068   -0.000160    0.000070    0.000122
Rb   -1.349091   -5.047316    6.195215   -0.000054   -0.000014   -0.000036
Br    1.996978   -5.332865    6.508610   -0.000136   -0.000044   -0.000158
Rb    5.381311   -5.231536    6.394753   -0.000016   -0.000028   -0.000110
Br   -1.333390   -5.018569    2.826175   -0.000450   -0.000346   -0.000530
Rb    2.300011   -5.066364    2.968044    0.000588   -0.002542    0.001274
Br    5.794902   -5.422842    3.042776   -0.000268   -0.000166    0.000048
Rb   -1.094885   -4.492325   -0.618527   -0.000300   -0.000370   -0.001006
Br    2.282169   -5.222345   -0.671948   -0.000734   -0.000242    0.000188
Rb    5.738630   -4.977344   -0.414134   -0.000254    0.000020   -0.000046
Br   -1.197181   -4.498603   -4.008096   -0.000078   -0.000164    0.000070
Rb    2.225411   -4.641036   -4.105187   -0.000062    0.000070   -0.000068
Br    5.635990   -4.658907   -3.825946   -0.000140   -0.000246   -0.000144
O     0.448417    0.350612    1.438649   -0.010848    0.043564    0.015986
H     0.986537    0.957809    0.902852    0.134536   -0.041758    0.046532
H     0.067214   -0.328606    0.717434    0.811892   -0.803958   -0.342328
O     3.354142    0.130542    1.609687   -0.010796    0.037080    0.013732
H     4.241196    0.281041    2.119190    0.669722   -0.683152   -0.259540
H     2.901288   -0.532730    2.156070    0.097562   -0.042068    0.017678
O     0.211217    3.442236    1.842873   -0.015474   -0.010232    0.000512
H     0.707582    4.070517    2.411478    0.258394   -0.083864   -0.102784
H    -0.491951    3.051195    2.404098   -0.038680    0.180012    0.142514
O     3.588160   -2.991866    1.191950   -0.014744   -0.011718    0.001052
H     4.275799   -2.468038    0.730567   -0.041222    0.189578    0.148324
H     3.277115   -3.665943    0.549361    0.254438   -0.073298   -0.111438
O     3.188643    3.377170    1.660583    0.010554   -0.021468   -0.003704
H     3.769509    4.030254    1.223018    0.067000    0.092352    0.197212
H     2.514099    3.132007    0.956511   -0.381028    0.600580   -0.110910
O     0.626421   -2.939461    1.375360    0.011628   -0.024730   -0.004664
H     1.024101   -2.248365    1.999304   -0.414428    0.665466   -0.131020
H     0.086294   -3.506969    1.962240    0.066532    0.119426    0.231656
66
* Frequency(172)  671.9700
Rb    5.171617    5.493446   -3.155242   -0.000064   -0.000046   -0.000036
Rb    5.562013   -1.266962   -3.730021   -0.000100   -0.000142    0.000138
Rb    5.408594   -1.937327    3.308509   -0.001254    0.002138   -0.001988
Rb    4.900752    4.947280    3.658476   -0.000244   -0.000358   -0.000892
Rb    1.956394   -1.348195   -0.694852   -0.003874    0.002414    0.002844
Rb    5.220099    1.852209   -0.105344    0.002064   -0.001996   -0.000672
Rb    1.979622    2.349375   -4.303471   -0.000008   -0.000198   -0.000018
Rb    1.843556    1.802680    3.734947   -0.003226    0.002064    0.002222
Rb    1.515111    5.518651    0.065475    0.000568   -0.002196    0.001146
Rb   -1.600205    2.396168   -0.273166   -0.001496    0.002516   -0.002318
Rb   -1.558913    5.687203   -3.359811   -0.000004   -0.000026   -0.000132
Rb   -1.339294   -1.092403   -3.904618    0.000112   -0.000054   -0.000036
Rb   -1.409789   -1.403928    3.145492    0.002370   -0.002486   -0.000574
Rb   -1.930732    5.433387    3.450149   -0.000262    0.000022   -0.000028
Br    5.448764    2.177238   -3.644976   -0.000006    0.000106   -0.000128
Br    5.986527   -1.505193   -0.296151    0.000366   -0.001148   -0.000970
Br    5.546631    1.539122    3.504917   -0.002048    0.001478    0.001174
Br    5.148364    5.467487    0.213555   -0.000358   -0.000230   -0.000468
Br    1.825407    5.787528   -3.475899   -0.000132   -0.000004   -0.000154
Br    2.117432   -1.148914   -4.166662   -0.000114   -0.000216   -0.000510
Br    1.988307   -1.689984    3.998731    0.000842   -0.000606    0.000486
Br    1.525196    5.680884    3.705814   -0.000758   -0.000106    0.000172
Br   -1.512748    2.349552   -3.859585   -0.000206    0.000126    0.000076
Br   -1.744221   -1.081488   -0.461745   -0.002660    0.001626    0.001338
Br   -2.169051    1.957828    3.335658    0.000276   -0.001188   -0.001088
Br   -1.981623    5.880542   -0.008130   -0.000280   -0.000216    0.000058
Br    1.821787    2.142686   -0.961379    0.000634   -0.000348    0.000262
Br   -1.826596    5.106611    6.861670   -0.000174   -0.000210   -0.000116
Rb    1.583548    5.095118    7.137962   -0.000028    0.000030   -0.000070
Br    5.006485    4.955278    7.048835   -0.000060   -0.000140    0.000052
Rb   -1.751121    1.714617    6.770696   -0.000038   -0.000166    0.000144
Br    1.693610    1.602337    7.204887   -0.000156   -0.000182   -0.000398
Rb    5.151250    1.549007    6.947393    0.000064   -0.000066   -0.000084
Br   -1.634540   -1.730158    6.684591   -0.000066    0.000092   -0.000098
Rb    1.837674   -1.897238    7.340002   -0.000022   -0.000180   -0.000044
Br    5.328767   -1.893522    6.898070   -0.000160    0.000070    0.000122
Rb   -1.349092   -5.047316    6.195214   -0.000054   -0.000014   -0.000036
Br    1.996977   -5.332865    6.508609   -0.000136   -0.000044   -0.000158
Rb    5.381310   -5.231536    6.394752   -0.000016   -0.000028   -0.000110
Br   -1.333394   -5.018573    2.826170   -0.000450   -0.000346   -0.000530
Rb    2.300016   -5.066389    2.968056    0.000588   -0.002542    0.001274
Br    5.794900   -5.422844    3.042777   -0.000268   -0.000166    0.000048
Rb   -1.094888   -4.492328   -0.618537   -0.000300   -0.000370   -0.001006
Br    2.282162   -5.222347   -0.671946   -0.000734   -0.000242    0.000188
Rb    5.738627   -4.977344   -0.414134   -0.000254    0.000020   -0.000046
Br   -1.197182   -4.498604   -4.008096   -0.000078   -0.000164    0.000070
Rb    2.225410   -4.641036   -4.105188   -0.000062    0.000070   -0.000068
Br    5.635989   -4.658910   -3.825947   -0.000140   -0.000246   -0.000144
O     0.448314    0.351026    1.438801   -0.010848    0.043564    0.015986
H     0.987817    0.957412    0.903295    0.134536   -0.041758    0.046532
H     0.074939   -0.336255    0.714176    0.811892   -0.803958   -0.342328
O     3.354039    0.130895    1.609818   -0.010796    0.037080    0.013732
H     4.247568    0.274541    2.116720    0.669722   -0.683152   -0.259540
H     2.902216   -0.533131    2.156238    0.097562   -0.042068    0.017678
O     0.211070    3.442139    1.842878   -0.015474   -0.010232    0.000512
H     0.710040    4.069719    2.410500    0.258394   -0.083864   -0.102784
H    -0.492319    3.052908    2.405454   -0.038680    0.180012    0.142514
O     3.588019   -2.991977    1.191960   -0.014744   -0.011718    0.001052
H     4.275407   -2.466234    0.731978   -0.041222    0.189578    0.148324
H     3.279536   -3.666641    0.548301    0.254438   -0.073298   -0.111438
O     3.188743    3.376966    1.660548    0.010554   -0.021468   -0.003704
H     3.770147    4.031133    1.224894    0.067000    0.092352    0.197212
H     2.510474    3.137721    0.955456   -0.381028    0.600580   -0.110910
O     0.626532   -2.939696    1.375315    0.011628   -0.024730   -0.004664
H     1.020158   -2.242033    1.998058   -0.414428    0.665466   -0.131020
H     0.086927   -3.505833    1.964444    0.066532    0.119426    0.231656
66
* Frequency(172)  671.9700
Rb    5.171618    5.493447   -3.155241   -0.000064   -0.000046   -0.000036
Rb    5.562016   -1.266958   -3.730025   -0.000100   -0.000142    0.000138
Rb    5.408629   -1.937388    3.308565   -0.001254    0.002138   -0.001988
Rb    4.900759    4.947290    3.658501   -0.000244   -0.000358   -0.000892
Rb    1.956503   -1.348263   -0.694932   -0.003874    0.002414    0.002844
Rb    5.220041    1.852265   -0.105325    0.002064   -0.001996   -0.000672
Rb    1.979622    2.349381   -4.303471   -0.000008   -0.000198   -0.000018
Rb    1.843647    1.802622    3.734884   -0.003226    0.002064    0.002222
Rb    1.515095    5.518713    0.065442    0.000568   -0.002196    0.001146
Rb   -1.600162    2.396096   -0.273100   -0.001496    0.002516   -0.002318
Rb   -1.558913    5.687204   -3.359807   -0.000004   -0.000026   -0.000132
Rb   -1.339297   -1.092401   -3.904617    0.000112   -0.000054   -0.000036
Rb   -1.409856   -1.403858    3.145508    0.002370   -0.002486   -0.000574
Rb   -1.930725    5.433386    3.450150   -0.000262    0.000022   -0.000028
Br    5.448764    2.177235   -3.644972   -0.000006    0.000106   -0.000128
Br    5.986516   -1.505161   -0.296124    0.000366   -0.001148   -0.000970
Br    5.546689    1.539080    3.504884   -0.002048    0.001478    0.001174
Br    5.148374    5.467493    0.213568   -0.000358   -0.000230   -0.000468
Br    1.825411    5.787528   -3.475894   -0.000132   -0.000004   -0.000154
Br    2.117435   -1.148908   -4.166647   -0.000114   -0.000216   -0.000510
Br    1.988283   -1.689967    3.998717    0.000842   -0.000606    0.000486
Br    1.525217    5.680887    3.705809   -0.000758   -0.000106    0.000172
Br   -1.512742    2.349548   -3.859588   -0.000206    0.000126    0.000076
Br   -1.744146   -1.081534   -0.461783   -0.002660    0.001626    0.001338
Br   -2.169059    1.957861    3.335688    0.000276   -0.001188   -0.001088
Br   -1.981615    5.880548   -0.008131   -0.000280   -0.000216    0.000058
Br    1.821769    2.142695   -0.961386    0.000634   -0.000348    0.000262
Br   -1.826591    5.106617    6.861673   -0.000174   -0.000210   -0.000116
Rb    1.583549    5.095118    7.137964   -0.000028    0.000030   -0.000070
Br    5.006487    4.955282    7.048834   -0.000060   -0.000140    0.000052
Rb   -1.751120    1.714622    6.770692   -0.000038   -0.000166    0.000144
Br    1.693614    1.602342    7.204898   -0.000156   -0.000182   -0.000398
Rb    5.151249    1.549009    6.947395    0.000064   -0.000066   -0.000084
Br   -1.634538   -1.730161    6.684594   -0.000066    0.000092   -0.000098
Rb    1.837675   -1.897233    7.340003   -0.000022   -0.000180   -0.000044
Br    5.328772   -1.893524    6.898066   -0.000160    0.000070    0.000122
Rb   -1.349090   -5.047315    6.195215   -0.000054   -0.000014   -0.000036
Br    1.996980   -5.332864    6.508613   -0.000136   -0.000044   -0.000158
Rb    5.381311   -5.231535    6.394755   -0.000016   -0.000028   -0.000110
Br   -1.333381   -5.018563    2.826185   -0.000450   -0.000346   -0.000530
Rb    2.299999   -5.066317    2.968020    0.000588   -0.002542    0.001274
Br    5.794907   -5.422839    3.042775   -0.000268   -0.000166    0.000048
Rb   -1.094879   -4.492318   -0.618508   -0.000300   -0.000370   -0.001006
Br    2.282183   -5.222341   -0.671952   -0.000734   -0.000242    0.000188
Rb    5.738635   -4.977345   -0.414133   -0.000254    0.000020   -0.000046
Br   -1.197180   -4.498600   -4.008098   -0.000078   -0.000164    0.000070
Rb    2.225412   -4.641038   -4.105186   -0.000062    0.000070   -0.000068
Br    5.635993   -4.658903   -3.825943   -0.000140   -0.000246   -0.000144
O     0.448621    0.349794    1.438349   -0.010848    0.043564    0.015986
H     0.984012    0.958593    0.901978    0.134536   -0.041758    0.046532
H     0.051975   -0.313516    0.723859    0.811892   -0.803958   -0.342328
O     3.354345    0.129846    1.609429   -0.010796    0.037080    0.013732
H     4.228626    0.293864    2.124061    0.669722   -0.683152   -0.259540
H     2.899457   -0.531941    2.155738    0.097562   -0.042068    0.017678
O     0.211507    3.442428    1.842863   -0.015474   -0.010232    0.000512
H     0.702732    4.072091    2.413408    0.258394   -0.083864   -0.102784
H    -0.491225    3.047817    2.401423   -0.038680    0.180012    0.142514
O     3.588436   -2.991646    1.191930   -0.014744   -0.011718    0.001052
H     4.276572   -2.471596    0.727783   -0.041222    0.189578    0.148324
H     3.272340   -3.664568    0.551453    0.254438   -0.073298   -0.111438
O     3.188445    3.377573    1.660653    0.010554   -0.021468   -0.003704
H     3.768252    4.028521    1.219317    0.067000    0.092352    0.197212
H     2.521251    3.120734    0.958593   -0.381028    0.600580   -0.110910
O     0.626203   -2.938996    1.375447    0.011628   -0.024730   -0.004664
H     1.031879   -2.260855    2.001763   -0.414428    0.665466   -0.131020
H     0.085045   -3.509210    1.957892    0.066532    0.119426    0.231656
66
* Frequency(172)  671.9700
Rb    5.171623    5.493450   -3.155238   -0.000064   -0.000046   -0.000036
Rb    5.562022   -1.266949   -3.730033   -0.000100   -0.000142    0.000138
Rb    5.408708   -1.937522    3.308690   -0.001254    0.002138   -0.001988
Rb    4.900774    4.947313    3.658557   -0.000244   -0.000358   -0.000892
Rb    1.956747   -1.348415   -0.695112   -0.003874    0.002414    0.002844
Rb    5.219910    1.852391   -0.105283    0.002064   -0.001996   -0.000672
Rb    1.979623    2.349393   -4.303470   -0.000008   -0.000198   -0.000018
Rb    1.843850    1.802491    3.734744   -0.003226    0.002064    0.002222
Rb    1.515059    5.518852    0.065370    0.000568   -0.002196    0.001146
Rb   -1.600068    2.395938   -0.272954   -0.001496    0.002516   -0.002318
Rb   -1.558913    5.687205   -3.359799   -0.000004   -0.000026   -0.000132
Rb   -1.339304   -1.092398   -3.904614    0.000112   -0.000054   -0.000036
Rb   -1.410006   -1.403701    3.145544    0.002370   -0.002486   -0.000574
Rb   -1.930708    5.433385    3.450152   -0.000262    0.000022   -0.000028
Br    5.448764    2.177228   -3.644964   -0.000006    0.000106   -0.000128
Br    5.986493   -1.505089   -0.296063    0.000366   -0.001148   -0.000970
Br    5.546818    1.538987    3.504810   -0.002048    0.001478    0.001174
Br    5.148397    5.467508    0.213597   -0.000358   -0.000230   -0.000468
Br    1.825419    5.787528   -3.475885   -0.000132   -0.000004   -0.000154
Br    2.117443   -1.148895   -4.166615   -0.000114   -0.000216   -0.000510
Br    1.988230   -1.689929    3.998686    0.000842   -0.000606    0.000486
Br    1.525265    5.680894    3.705798   -0.000758   -0.000106    0.000172
Br   -1.512729    2.349540   -3.859592   -0.000206    0.000126    0.000076
Br   -1.743978   -1.081636   -0.461867   -0.002660    0.001626    0.001338
Br   -2.169076    1.957936    3.335757    0.000276   -0.001188   -0.001088
Br   -1.981597    5.880561   -0.008135   -0.000280   -0.000216    0.000058
Br    1.821729    2.142717   -0.961403    0.000634   -0.000348    0.000262
Br   -1.826580    5.106630    6.861680   -0.000174   -0.000210   -0.000116
Rb    1.583551    5.095116    7.137968   -0.000028    0.000030   -0.000070
Br    5.006491    4.955291    7.048830   -0.000060   -0.000140    0.000052
Rb   -1.751118    1.714632    6.770683   -0.000038   -0.000166    0.000144
Br    1.693624    1.602353    7.204924   -0.000156   -0.000182   -0.000398
Rb    5.151244    1.549013    6.947400    0.000064   -0.000066   -0.000084
Br   -1.634534   -1.730166    6.684600   -0.000066    0.000092   -0.000098
Rb    1.837676   -1.897221    7.340006   -0.000022   -0.000180   -0.000044
Br    5.328782   -1.893528    6.898058   -0.000160    0.000070    0.000122
Rb   -1.349087   -5.047315    6.195218   -0.000054   -0.000014   -0.000036
Br    1.996989   -5.332861    6.508623   -0.000136   -0.000044   -0.000158
Rb    5.381312   -5.231533    6.394762   -0.000016   -0.000028   -0.000110
Br   -1.333353   -5.018541    2.826219   -0.000450   -0.000346   -0.000530
Rb    2.299962   -5.066157    2.967940    0.000588   -0.002542    0.001274
Br    5.794924   -5.422829    3.042772   -0.000268   -0.000166    0.000048
Rb   -1.094860   -4.492294   -0.618445   -0.000300   -0.000370   -0.001006
Br    2.282229   -5.222325   -0.671964   -0.000734   -0.000242    0.000188
Rb    5.738651   -4.977346   -0.414130   -0.000254    0.000020   -0.000046
Br   -1.197175   -4.498589   -4.008102   -0.000078   -0.000164    0.000070
Rb    2.225416   -4.641042   -4.105182   -0.000062    0.000070   -0.000068
Br    5.636002   -4.658887   -3.825934   -0.000140   -0.000246   -0.000144
O     0.449305    0.347049    1.437341   -0.010848    0.043564    0.015986
H     0.975533    0.961224    0.899046    0.134536   -0.041758    0.046532
H     0.000812   -0.262853    0.745431    0.811892   -0.803958   -0.342328
O     3.355025    0.127509    1.608564   -0.010796    0.037080    0.013732
H     4.186422    0.336914    2.140417    0.669722   -0.683152   -0.259540
H     2.893309   -0.529290    2.154624    0.097562   -0.042068    0.017678
O     0.212482    3.443073    1.842831   -0.015474   -0.010232    0.000512
H     0.686448    4.077376    2.419885    0.258394   -0.083864   -0.102784
H    -0.488787    3.036473    2.392442   -0.038680    0.180012    0.142514
O     3.589365   -2.990907    1.191864   -0.014744   -0.011718    0.001052
H     4.279170   -2.483543    0.718436   -0.041222    0.189578    0.148324
H     3.256306   -3.659948    0.558475    0.254438   -0.073298   -0.111438
O     3.187780    3.378926    1.660886    0.010554   -0.021468   -0.003704
H     3.764030    4.022701    1.206889    0.067000    0.092352    0.197212
H     2.545262    3.082887    0.965582   -0.381028    0.600580   -0.110910
O     0.625470   -2.937438    1.375741    0.011628   -0.024730   -0.004664
H     1.057995   -2.302791    2.010020   -0.414428    0.665466   -0.131020
H     0.080852   -3.516736    1.943293    0.066532    0.119426    0.231656
66
* Frequency(172)  671.9700
Rb    5.171628    5.493454   -3.155235   -0.000064   -0.000046   -0.000036
Rb    5.562031   -1.266936   -3.730046   -0.000100   -0.000142    0.000138
Rb    5.408822   -1.937717    3.308871   -0.001254    0.002138   -0.001988
Rb    4.900796    4.947345    3.658638   -0.000244   -0.000358   -0.000892
Rb    1.957100   -1.348635   -0.695370   -0.003874    0.002414    0.002844
Rb    5.219723    1.852573   -0.105222    0.002064   -0.001996   -0.000672
Rb    1.979624    2.349411   -4.303468   -0.000008   -0.000198   -0.000018
Rb    1.844144    1.802304    3.734542   -0.003226    0.002064    0.002222
Rb    1.515008    5.519051    0.065266    0.000568   -0.002196    0.001146
Rb   -1.599932    2.395709   -0.272743   -0.001496    0.002516   -0.002318
Rb   -1.558913    5.687208   -3.359787   -0.000004   -0.000026   -0.000132
Rb   -1.339314   -1.092393   -3.904611    0.000112   -0.000054   -0.000036
Rb   -1.410221   -1.403475    3.145596    0.002370   -0.002486   -0.000574
Rb   -1.930685    5.433383    3.450154   -0.000262    0.000022   -0.000028
Br    5.448765    2.177219   -3.644952   -0.000006    0.000106   -0.000128
Br    5.986460   -1.504984   -0.295975    0.000366   -0.001148   -0.000970
Br    5.547004    1.538852    3.504704   -0.002048    0.001478    0.001174
Br    5.148429    5.467529    0.213640   -0.000358   -0.000230   -0.000468
Br    1.825431    5.787528   -3.475871   -0.000132   -0.000004   -0.000154
Br    2.117453   -1.148875   -4.166569   -0.000114   -0.000216   -0.000510
Br    1.988153   -1.689874    3.998642    0.000842   -0.000606    0.000486
Br    1.525334    5.680903    3.705783   -0.000758   -0.000106    0.000172
Br   -1.512710    2.349529   -3.859599   -0.000206    0.000126    0.000076
Br   -1.743736   -1.081784   -0.461989   -0.002660    0.001626    0.001338
Br   -2.169101    1.958044    3.335856    0.000276   -0.001188   -0.001088
Br   -1.981572    5.880581   -0.008140   -0.000280   -0.000216    0.000058
Br    1.821672    2.142749   -0.961426    0.000634   -0.000348    0.000262
Br   -1.826564    5.106649    6.861691   -0.000174   -0.000210   -0.000116
Rb    1.583553    5.095113    7.137974   -0.000028    0.000030   -0.000070
Br    5.006496    4.955304    7.048826   -0.000060   -0.000140    0.000052
Rb   -1.751114    1.714647    6.770670   -0.000038   -0.000166    0.000144
Br    1.693638    1.602370    7.204960   -0.000156   -0.000182   -0.000398
Rb    5.151239    1.549019    6.947408    0.000064   -0.000066   -0.000084
Br   -1.634528   -1.730175    6.684609   -0.000066    0.000092   -0.000098
Rb    1.837678   -1.897205    7.340010   -0.000022   -0.000180   -0.000044
Br    5.328796   -1.893534    6.898047   -0.000160    0.000070    0.000122
Rb   -1.349082   -5.047313    6.195221   -0.000054   -0.000014   -0.000036
Br    1.997001   -5.332857    6.508638   -0.000136   -0.000044   -0.000158
Rb    5.381313   -5.231531    6.394772   -0.000016   -0.000028   -0.000110
Br   -1.333312   -5.018510    2.826267   -0.000450   -0.000346   -0.000530
Rb    2.299909   -5.065925    2.967824    0.000588   -0.002542    0.001274
Br    5.794948   -5.422814    3.042768   -0.000268   -0.000166    0.000048
Rb   -1.094833   -4.492261   -0.618354   -0.000300   -0.000370   -0.001006
Br    2.282296   -5.222303   -0.671981   -0.000734   -0.000242    0.000188
Rb    5.738674   -4.977348   -0.414126   -0.000254    0.000020   -0.000046
Br   -1.197168   -4.498574   -4.008108   -0.000078   -0.000164    0.000070
Rb    2.225422   -4.641048   -4.105175   -0.000062    0.000070   -0.000068
Br    5.636015   -4.658865   -3.825921   -0.000140   -0.000246   -0.000144
O     0.450291    0.343088    1.435888   -0.010848    0.043564    0.015986
H     0.963301    0.965021    0.894815    0.134536   -0.041758    0.046532
H    -0.073007   -0.189756    0.776556    0.811892   -0.803958   -0.342328
O     3.356007    0.124138    1.607315   -0.010796    0.037080    0.013732
H     4.125529    0.399027    2.164014    0.669722   -0.683152   -0.259540
H     2.884438   -0.525465    2.153017    0.097562   -0.042068    0.017678
O     0.213889    3.444004    1.842784   -0.015474   -0.010232    0.000512
H     0.662955    4.085001    2.429230    0.258394   -0.083864   -0.102784
H    -0.485270    3.020106    2.379484   -0.038680    0.180012    0.142514
O     3.590706   -2.989842    1.191768   -0.014744   -0.011718    0.001052
H     4.282918   -2.500780    0.704950   -0.041222    0.189578    0.148324
H     3.233172   -3.653284    0.568607    0.254438   -0.073298   -0.111438
O     3.186820    3.380878    1.661223    0.010554   -0.021468   -0.003704
H     3.757938    4.014304    1.188958    0.067000    0.092352    0.197212
H     2.579906    3.028282    0.975666   -0.381028    0.600580   -0.110910
O     0.624413   -2.935190    1.376165    0.011628   -0.024730   -0.004664
H     1.095676   -2.363297    2.021932   -0.414428    0.665466   -0.131020
H     0.074803   -3.527595    1.922231    0.066532    0.119426    0.231656
66
* Frequency(172)  671.9700
Rb    5.171635    5.493459   -3.155231   -0.000064   -0.000046   -0.000036
Rb    5.562042   -1.266920   -3.730061   -0.000100   -0.000142    0.000138
Rb    5.408959   -1.937950    3.309087   -0.001254    0.002138   -0.001988
Rb    4.900823    4.947384    3.658736   -0.000244   -0.000358   -0.000892
Rb    1.957522   -1.348898   -0.695680   -0.003874    0.002414    0.002844
Rb    5.219498    1.852790   -0.105149    0.002064   -0.001996   -0.000672
Rb    1.979625    2.349433   -4.303466   -0.000008   -0.000198   -0.000018
Rb    1.844495    1.802079    3.734300   -0.003226    0.002064    0.002222
Rb    1.514946    5.519290    0.065141    0.000568   -0.002196    0.001146
Rb   -1.599769    2.395435   -0.272491   -0.001496    0.002516   -0.002318
Rb   -1.558912    5.687211   -3.359773   -0.000004   -0.000026   -0.000132
Rb   -1.339327   -1.092387   -3.904607    0.000112   -0.000054   -0.000036
Rb   -1.410479   -1.403204    3.145659    0.002370   -0.002486   -0.000574
Rb   -1.930656    5.433380    3.450157   -0.000262    0.000022   -0.000028
Br    5.448766    2.177207   -3.644938   -0.000006    0.000106   -0.000128
Br    5.986420   -1.504859   -0.295869    0.000366   -0.001148   -0.000970
Br    5.547227    1.538691    3.504576   -0.002048    0.001478    0.001174
Br    5.148468    5.467554    0.213691   -0.000358   -0.000230   -0.000468
Br    1.825445    5.787529   -3.475854   -0.000132   -0.000004   -0.000154
Br    2.117465   -1.148851   -4.166513   -0.000114   -0.000216   -0.000510
Br    1.988062   -1.689808    3.998589    0.000842   -0.000606    0.000486
Br    1.525416    5.680915    3.705764   -0.000758   -0.000106    0.000172
Br   -1.512688    2.349515   -3.859608   -0.000206    0.000126    0.000076
Br   -1.743446   -1.081961   -0.462135   -0.002660    0.001626    0.001338
Br   -2.169131    1.958174    3.335974    0.000276   -0.001188   -0.001088
Br   -1.981541    5.880605   -0.008147   -0.000280   -0.000216    0.000058
Br    1.821603    2.142787   -0.961455    0.000634   -0.000348    0.000262
Br   -1.826545    5.106672    6.861703   -0.000174   -0.000210   -0.000116
Rb    1.583556    5.095110    7.137982   -0.000028    0.000030   -0.000070
Br    5.006503    4.955319    7.048820   -0.000060   -0.000140    0.000052
Rb   -1.751110    1.714665    6.770654   -0.000038   -0.000166    0.000144
Br    1.693655    1.602390    7.205003   -0.000156   -0.000182   -0.000398
Rb    5.151232    1.549026    6.947417    0.000064   -0.000066   -0.000084
Br   -1.634521   -1.730185    6.684619   -0.000066    0.000092   -0.000098
Rb    1.837681   -1.897185    7.340014   -0.000022   -0.000180   -0.000044
Br    5.328814   -1.893542    6.898034   -0.000160    0.000070    0.000122
Rb   -1.349076   -5.047312    6.195225   -0.000054   -0.000014   -0.000036
Br    1.997016   -5.332853    6.508655   -0.000136   -0.000044   -0.000158
Rb    5.381315   -5.231528    6.394784   -0.000016   -0.000028   -0.000110
Br   -1.333263   -5.018472    2.826324   -0.000450   -0.000346   -0.000530
Rb    2.299845   -5.065648    2.967685    0.000588   -0.002542    0.001274
Br    5.794978   -5.422796    3.042763   -0.000268   -0.000166    0.000048
Rb   -1.094800   -4.492220   -0.618244   -0.000300   -0.000370   -0.001006
Br    2.282376   -5.222277   -0.672001   -0.000734   -0.000242    0.000188
Rb    5.738701   -4.977350   -0.414121   -0.000254    0.000020   -0.000046
Br   -1.197159   -4.498556   -4.008116   -0.000078   -0.000164    0.000070
Rb    2.225428   -4.641056   -4.105168   -0.000062    0.000070   -0.000068
Br    5.636030   -4.658838   -3.825905   -0.000140   -0.000246   -0.000144
O     0.451473    0.338341    1.434146   -0.010848    0.043564    0.015986
H     0.948640    0.969571    0.889745    0.134536   -0.041758    0.046532
H    -0.161481   -0.102145    0.813861    0.811892   -0.803958   -0.342328
O     3.357183    0.120097    1.605819   -0.010796    0.037080    0.013732
H     4.052547    0.473473    2.192297    0.669722   -0.683152   -0.259540
H     2.873806   -0.520880    2.151090    0.097562   -0.042068    0.017678
O     0.215576    3.445119    1.842728   -0.015474   -0.010232    0.000512
H     0.634797    4.094140    2.440431    0.258394   -0.083864   -0.102784
H    -0.481055    3.000489    2.363954   -0.038680    0.180012    0.142514
O     3.592313   -2.988565    1.191654   -0.014744   -0.011718    0.001052
H     4.287410   -2.521439    0.688787   -0.041222    0.189578    0.148324
H     3.205445   -3.645297    0.580751    0.254438   -0.073298   -0.111438
O     3.185670    3.383217    1.661627    0.010554   -0.021468   -0.003704
H     3.750637    4.004240    1.167467    0.067000    0.092352    0.197212
H     2.621428    2.962834    0.987753   -0.381028    0.600580   -0.110910
O     0.623146   -2.932495    1.376673    0.011628   -0.024730   -0.004664
H     1.140838   -2.435815    2.036210   -0.414428    0.665466   -0.131020
H     0.067553   -3.540609    1.896986    0.066532    0.119426    0.231656
66
* Frequency(172)  671.9700
Rb    5.171643    5.493465   -3.155227   -0.000064   -0.000046   -0.000036
Rb    5.562054   -1.266904   -3.730077   -0.000100   -0.000142    0.000138
Rb    5.409103   -1.938196    3.309317   -0.001254    0.002138   -0.001988
Rb    4.900851    4.947426    3.658838   -0.000244   -0.000358   -0.000892
Rb    1.957968   -1.349176   -0.696008   -0.003874    0.002414    0.002844
Rb    5.219260    1.853020   -0.105071    0.002064   -0.001996   -0.000672
Rb    1.979625    2.349455   -4.303464   -0.000008   -0.000198   -0.000018
Rb    1.844867    1.801841    3.734044   -0.003226    0.002064    0.002222
Rb    1.514880    5.519544    0.065009    0.000568   -0.002196    0.001146
Rb   -1.599597    2.395145   -0.272223   -0.001496    0.002516   -0.002318
Rb   -1.558912    5.687213   -3.359757   -0.000004   -0.000026   -0.000132
Rb   -1.339339   -1.092381   -3.904603    0.000112   -0.000054   -0.000036
Rb   -1.410753   -1.402918    3.145725    0.002370   -0.002486   -0.000574
Rb   -1.930626    5.433378    3.450161   -0.000262    0.000022   -0.000028
Br    5.448766    2.177195   -3.644924   -0.000006    0.000106   -0.000128
Br    5.986378   -1.504727   -0.295757    0.000366   -0.001148   -0.000970
Br    5.547463    1.538521    3.504440   -0.002048    0.001478    0.001174
Br    5.148510    5.467580    0.213745   -0.000358   -0.000230   -0.000468
Br    1.825461    5.787529   -3.475836   -0.000132   -0.000004   -0.000154
Br    2.117479   -1.148827   -4.166455   -0.000114   -0.000216   -0.000510
Br    1.987964   -1.689738    3.998533    0.000842   -0.000606    0.000486
Br    1.525504    5.680927    3.705744   -0.000758   -0.000106    0.000172
Br   -1.512664    2.349501   -3.859616   -0.000206    0.000126    0.000076
Br   -1.743140   -1.082149   -0.462289   -0.002660    0.001626    0.001338
Br   -2.169163    1.958310    3.336100    0.000276   -0.001188   -0.001088
Br   -1.981509    5.880629   -0.008153   -0.000280   -0.000216    0.000058
Br    1.821529    2.142827   -0.961485    0.000634   -0.000348    0.000262
Br   -1.826525    5.106696    6.861717   -0.000174   -0.000210   -0.000116
Rb    1.583560    5.095106    7.137990   -0.000028    0.000030   -0.000070
Br    5.006509    4.955335    7.048814   -0.000060   -0.000140    0.000052
Rb   -1.751106    1.714685    6.770638   -0.000038   -0.000166    0.000144
Br    1.693673    1.602410    7.205049   -0.000156   -0.000182   -0.000398
Rb    5.151224    1.549034    6.947427    0.000064   -0.000066   -0.000084
Br   -1.634513   -1.730195    6.684631   -0.000066    0.000092   -0.000098
Rb    1.837683   -1.897165    7.340020   -0.000022   -0.000180   -0.000044
Br    5.328832   -1.893550    6.898020   -0.000160    0.000070    0.000122
Rb   -1.349070   -5.047310    6.195229   -0.000054   -0.000014   -0.000036
Br    1.997032   -5.332847    6.508673   -0.000136   -0.000044   -0.000158
Rb    5.381317   -5.231524    6.394796   -0.000016   -0.000028   -0.000110
Br   -1.333211   -5.018432    2.826386   -0.000450   -0.000346   -0.000530
Rb    2.299777   -5.065356    2.967539    0.000588   -0.002542    0.001274
Br    5.795008   -5.422776    3.042757   -0.000268   -0.000166    0.000048
Rb   -1.094766   -4.492178   -0.618128   -0.000300   -0.000370   -0.001006
Br    2.282460   -5.222249   -0.672023   -0.000734   -0.000242    0.000188
Rb    5.738731   -4.977352   -0.414115   -0.000254    0.000020   -0.000046
Br   -1.197151   -4.498538   -4.008124   -0.000078   -0.000164    0.000070
Rb    2.225436   -4.641064   -4.105160   -0.000062    0.000070   -0.000068
Br    5.636046   -4.658810   -3.825889   -0.000140   -0.000246   -0.000144
O     0.452723    0.333321    1.432304   -0.010848    0.043564    0.015986
H     0.933140    0.974383    0.884383    0.134536   -0.041758    0.046532
H    -0.255025   -0.009517    0.853303    0.811892   -0.803958   -0.342328
O     3.358427    0.115825    1.604237   -0.010796    0.037080    0.013732
H     3.975385    0.552183    2.222201    0.669722   -0.683152   -0.259540
H     2.862566   -0.516034    2.149054    0.097562   -0.042068    0.017678
O     0.217358    3.446297    1.842670   -0.015474   -0.010232    0.000512
H     0.605025    4.103802    2.452273    0.258394   -0.083864   -0.102784
H    -0.476599    2.979749    2.347534   -0.038680    0.180012    0.142514
O     3.594011   -2.987215    1.191532   -0.014744   -0.011718    0.001052
H     4.292160   -2.543281    0.671697   -0.041222    0.189578    0.148324
H     3.176129   -3.636851    0.593591    0.254438   -0.073298   -0.111438
O     3.184454    3.385691    1.662053    0.010554   -0.021468   -0.003704
H     3.742917    3.993600    1.144745    0.067000    0.092352    0.197212
H     2.665328    2.893638    1.000531   -0.381028    0.600580   -0.110910
O     0.621806   -2.929645    1.377211    0.011628   -0.024730   -0.004664
H     1.188586   -2.512487    2.051306   -0.414428    0.665466   -0.131020
H     0.059887   -3.554369    1.870296    0.066532    0.119426    0.231656
66
* Frequency(172)  671.9700
Rb    5.171650    5.493470   -3.155223   -0.000064   -0.000046   -0.000036
Rb    5.562065   -1.266888   -3.730092   -0.000100   -0.000142    0.000138
Rb    5.409240   -1.938429    3.309533   -0.001254    0.002138   -0.001988
Rb    4.900878    4.947465    3.658936   -0.000244   -0.000358   -0.000892
Rb    1.958390   -1.349439   -0.696318   -0.003874    0.002414    0.002844
Rb    5.219035    1.853237   -0.104998    0.002064   -0.001996   -0.000672
Rb    1.979626    2.349477   -4.303462   -0.000008   -0.000198   -0.000018
Rb    1.845218    1.801616    3.733802   -0.003226    0.002064    0.002222
Rb    1.514818    5.519783    0.064884    0.000568   -0.002196    0.001146
Rb   -1.599434    2.394871   -0.271971   -0.001496    0.002516   -0.002318
Rb   -1.558911    5.687216   -3.359743   -0.000004   -0.000026   -0.000132
Rb   -1.339352   -1.092375   -3.904599    0.000112   -0.000054   -0.000036
Rb   -1.411011   -1.402647    3.145788    0.002370   -0.002486   -0.000574
Rb   -1.930597    5.433375    3.450164   -0.000262    0.000022   -0.000028
Br    5.448767    2.177183   -3.644910   -0.000006    0.000106   -0.000128
Br    5.986338   -1.504602   -0.295651    0.000366   -0.001148   -0.000970
Br    5.547686    1.538360    3.504312   -0.002048    0.001478    0.001174
Br    5.148549    5.467605    0.213796   -0.000358   -0.000230   -0.000468
Br    1.825475    5.787530   -3.475819   -0.000132   -0.000004   -0.000154
Br    2.117491   -1.148803   -4.166399   -0.000114   -0.000216   -0.000510
Br    1.987873   -1.689672    3.998480    0.000842   -0.000606    0.000486
Br    1.525586    5.680939    3.705725   -0.000758   -0.000106    0.000172
Br   -1.512642    2.349487   -3.859625   -0.000206    0.000126    0.000076
Br   -1.742850   -1.082326   -0.462435   -0.002660    0.001626    0.001338
Br   -2.169193    1.958440    3.336218    0.000276   -0.001188   -0.001088
Br   -1.981478    5.880653   -0.008160   -0.000280   -0.000216    0.000058
Br    1.821460    2.142865   -0.961514    0.000634   -0.000348    0.000262
Br   -1.826506    5.106719    6.861729   -0.000174   -0.000210   -0.000116
Rb    1.583563    5.095103    7.137998   -0.000028    0.000030   -0.000070
Br    5.006516    4.955350    7.048808   -0.000060   -0.000140    0.000052
Rb   -1.751102    1.714703    6.770622   -0.000038   -0.000166    0.000144
Br    1.693690    1.602430    7.205092   -0.000156   -0.000182   -0.000398
Rb    5.151217    1.549041    6.947436    0.000064   -0.000066   -0.000084
Br   -1.634506   -1.730205    6.684641   -0.000066    0.000092   -0.000098
Rb    1.837686   -1.897145    7.340024   -0.000022   -0.000180   -0.000044
Br    5.328850   -1.893558    6.898007   -0.000160    0.000070    0.000122
Rb   -1.349064   -5.047309    6.195233   -0.000054   -0.000014   -0.000036
Br    1.997047   -5.332843    6.508690   -0.000136   -0.000044   -0.000158
Rb    5.381319   -5.231521    6.394808   -0.000016   -0.000028   -0.000110
Br   -1.333162   -5.018394    2.826443   -0.000450   -0.000346   -0.000530
Rb    2.299713   -5.065079    2.967400    0.000588   -0.002542    0.001274
Br    5.795038   -5.422758    3.042752   -0.000268   -0.000166    0.000048
Rb   -1.094733   -4.492137   -0.618018   -0.000300   -0.000370   -0.001006
Br    2.282540   -5.222223   -0.672043   -0.000734   -0.000242    0.000188
Rb    5.738758   -4.977354   -0.414110   -0.000254    0.000020   -0.000046
Br   -1.197142   -4.498520   -4.008132   -0.000078   -0.000164    0.000070
Rb    2.225442   -4.641072   -4.105153   -0.000062    0.000070   -0.000068
Br    5.636061   -4.658783   -3.825873   -0.000140   -0.000246   -0.000144
O     0.453905    0.328574    1.430562   -0.010848    0.043564    0.015986
H     0.918479    0.978933    0.879313    0.134536   -0.041758    0.046532
H    -0.343499    0.078094    0.890608    0.811892   -0.803958   -0.342328
O     3.359603    0.111784    1.602741   -0.010796    0.037080    0.013732
H     3.902403    0.626629    2.250484    0.669722   -0.683152   -0.259540
H     2.851934   -0.511449    2.147127    0.097562   -0.042068    0.017678
O     0.219045    3.447412    1.842614   -0.015474   -0.010232    0.000512
H     0.576867    4.112941    2.463474    0.258394   -0.083864   -0.102784
H    -0.472384    2.960132    2.332004   -0.038680    0.180012    0.142514
O     3.595618   -2.985938    1.191418   -0.014744   -0.011718    0.001052
H     4.296652   -2.563940    0.655534   -0.041222    0.189578    0.148324
H     3.148402   -3.628864    0.605735    0.254438   -0.073298   -0.111438
O     3.183304    3.388030    1.662457    0.010554   -0.021468   -0.003704
H     3.735616    3.983536    1.123254    0.067000    0.092352    0.197212
H     2.706850    2.828190    1.012618   -0.381028    0.600580   -0.110910
O     0.620539   -2.926950    1.377719    0.011628   -0.024730   -0.004664
H     1.233748   -2.585005    2.065584   -0.414428    0.665466   -0.131020
H     0.052637   -3.567383    1.845051    0.066532    0.119426    0.231656
66
* Frequency(172)  671.9700
Rb    5.171655    5.493474   -3.155220   -0.000064   -0.000046   -0.000036
Rb    5.562074   -1.266875   -3.730105   -0.000100   -0.000142    0.000138
Rb    5.409354   -1.938624    3.309714   -0.001254    0.002138   -0.001988
Rb    4.900900    4.947497    3.659017   -0.000244   -0.000358   -0.000892
Rb    1.958743   -1.349659   -0.696576   -0.003874    0.002414    0.002844
Rb    5.218848    1.853419   -0.104937    0.002064   -0.001996   -0.000672
Rb    1.979627    2.349495   -4.303460   -0.000008   -0.000198   -0.000018
Rb    1.845512    1.801429    3.733600   -0.003226    0.002064    0.002222
Rb    1.514767    5.519982    0.064780    0.000568   -0.002196    0.001146
Rb   -1.599298    2.394642   -0.271760   -0.001496    0.002516   -0.002318
Rb   -1.558911    5.687219   -3.359731   -0.000004   -0.000026   -0.000132
Rb   -1.339362   -1.092370   -3.904596    0.000112   -0.000054   -0.000036
Rb   -1.411226   -1.402421    3.145840    0.002370   -0.002486   -0.000574
Rb   -1.930574    5.433373    3.450166   -0.000262    0.000022   -0.000028
Br    5.448768    2.177174   -3.644898   -0.000006    0.000106   -0.000128
Br    5.986305   -1.504497   -0.295563    0.000366   -0.001148   -0.000970
Br    5.547872    1.538225    3.504206   -0.002048    0.001478    0.001174
Br    5.148581    5.467626    0.213839   -0.000358   -0.000230   -0.000468
Br    1.825487    5.787530   -3.475805   -0.000132   -0.000004   -0.000154
Br    2.117501   -1.148783   -4.166353   -0.000114   -0.000216   -0.000510
Br    1.987796   -1.689617    3.998436    0.000842   -0.000606    0.000486
Br    1.525655    5.680948    3.705710   -0.000758   -0.000106    0.000172
Br   -1.512623    2.349476   -3.859632   -0.000206    0.000126    0.000076
Br   -1.742608   -1.082474   -0.462557   -0.002660    0.001626    0.001338
Br   -2.169218    1.958548    3.336317    0.000276   -0.001188   -0.001088
Br   -1.981453    5.880673   -0.008165   -0.000280   -0.000216    0.000058
Br    1.821403    2.142897   -0.961537    0.000634   -0.000348    0.000262
Br   -1.826490    5.106738    6.861740   -0.000174   -0.000210   -0.000116
Rb    1.583565    5.095100    7.138004   -0.000028    0.000030   -0.000070
Br    5.006521    4.955363    7.048804   -0.000060   -0.000140    0.000052
Rb   -1.751098    1.714718    6.770609   -0.000038   -0.000166    0.000144
Br    1.693704    1.602447    7.205128   -0.000156   -0.000182   -0.000398
Rb    5.151212    1.549047    6.947444    0.000064   -0.000066   -0.000084
Br   -1.634500   -1.730214    6.684650   -0.000066    0.000092   -0.000098
Rb    1.837688   -1.897129    7.340028   -0.000022   -0.000180   -0.000044
Br    5.328864   -1.893564    6.897996   -0.000160    0.000070    0.000122
Rb   -1.349059   -5.047307    6.195236   -0.000054   -0.000014   -0.000036
Br    1.997059   -5.332839    6.508705   -0.000136   -0.000044   -0.000158
Rb    5.381320   -5.231519    6.394818   -0.000016   -0.000028   -0.000110
Br   -1.333121   -5.018363    2.826491   -0.000450   -0.000346   -0.000530
Rb    2.299660   -5.064847    2.967284    0.000588   -0.002542    0.001274
Br    5.795062   -5.422743    3.042748   -0.000268   -0.000166    0.000048
Rb   -1.094706   -4.492104   -0.617927   -0.000300   -0.000370   -0.001006
Br    2.282607   -5.222201   -0.672060   -0.000734   -0.000242    0.000188
Rb    5.738781   -4.977356   -0.414106   -0.000254    0.000020   -0.000046
Br   -1.197135   -4.498505   -4.008138   -0.000078   -0.000164    0.000070
Rb    2.225448   -4.641078   -4.105146   -0.000062    0.000070   -0.000068
Br    5.636074   -4.658761   -3.825860   -0.000140   -0.000246   -0.000144
O     0.454891    0.324613    1.429109   -0.010848    0.043564    0.015986
H     0.906247    0.982730    0.875082    0.134536   -0.041758    0.046532
H    -0.417318    0.151191    0.921733    0.811892   -0.803958   -0.342328
O     3.360585    0.108413    1.601492   -0.010796    0.037080    0.013732
H     3.841510    0.688742    2.274081    0.669722   -0.683152   -0.259540
H     2.843063   -0.507624    2.145520    0.097562   -0.042068    0.017678
O     0.220452    3.448343    1.842567   -0.015474   -0.010232    0.000512
H     0.553374    4.120566    2.472819    0.258394   -0.083864   -0.102784
H    -0.468867    2.943765    2.319046   -0.038680    0.180012    0.142514
O     3.596959   -2.984873    1.191322   -0.014744   -0.011718    0.001052
H     4.300400   -2.581177    0.642048   -0.041222    0.189578    0.148324
H     3.125268   -3.622200    0.615867    0.254438   -0.073298   -0.111438
O     3.182344    3.389982    1.662794    0.010554   -0.021468   -0.003704
H     3.729524    3.975139    1.105323    0.067000    0.092352    0.197212
H     2.741494    2.773585    1.022702   -0.381028    0.600580   -0.110910
O     0.619482   -2.924702    1.378143    0.011628   -0.024730   -0.004664
H     1.271429   -2.645511    2.077496   -0.414428    0.665466   -0.131020
H     0.046588   -3.578242    1.823989    0.066532    0.119426    0.231656
66
* Frequency(172)  671.9700
Rb    5.171660    5.493477   -3.155217   -0.000064   -0.000046   -0.000036
Rb    5.562080   -1.266866   -3.730113   -0.000100   -0.000142    0.000138
Rb    5.409433   -1.938758    3.309839   -0.001254    0.002138   -0.001988
Rb    4.900915    4.947520    3.659073   -0.000244   -0.000358   -0.000892
Rb    1.958987   -1.349811   -0.696756   -0.003874    0.002414    0.002844
Rb    5.218717    1.853545   -0.104895    0.002064   -0.001996   -0.000672
Rb    1.979628    2.349507   -4.303459   -0.000008   -0.000198   -0.000018
Rb    1.845715    1.801298    3.733460   -0.003226    0.002064    0.002222
Rb    1.514731    5.520121    0.064708    0.000568   -0.002196    0.001146
Rb   -1.599204    2.394484   -0.271614   -0.001496    0.002516   -0.002318
Rb   -1.558911    5.687220   -3.359723   -0.000004   -0.000026   -0.000132
Rb   -1.339369   -1.092367   -3.904593    0.000112   -0.000054   -0.000036
Rb   -1.411376   -1.402264    3.145876    0.002370   -0.002486   -0.000574
Rb   -1.930557    5.433372    3.450168   -0.000262    0.000022   -0.000028
Br    5.448768    2.177167   -3.644890   -0.000006    0.000106   -0.000128
Br    5.986282   -1.504425   -0.295502    0.000366   -0.001148   -0.000970
Br    5.548001    1.538132    3.504132   -0.002048    0.001478    0.001174
Br    5.148604    5.467641    0.213868   -0.000358   -0.000230   -0.000468
Br    1.825495    5.787530   -3.475796   -0.000132   -0.000004   -0.000154
Br    2.117509   -1.148770   -4.166321   -0.000114   -0.000216   -0.000510
Br    1.987743   -1.689579    3.998405    0.000842   -0.000606    0.000486
Br    1.525703    5.680955    3.705699   -0.000758   -0.000106    0.000172
Br   -1.512610    2.349468   -3.859636   -0.000206    0.000126    0.000076
Br   -1.742440   -1.082576   -0.462641   -0.002660    0.001626    0.001338
Br   -2.169235    1.958623    3.336386    0.000276   -0.001188   -0.001088
Br   -1.981435    5.880686   -0.008169   -0.000280   -0.000216    0.000058
Br    1.821363    2.142919   -0.961554    0.000634   -0.000348    0.000262
Br   -1.826479    5.106751    6.861747   -0.000174   -0.000210   -0.000116
Rb    1.583567    5.095098    7.138008   -0.000028    0.000030   -0.000070
Br    5.006525    4.955372    7.048800   -0.000060   -0.000140    0.000052
Rb   -1.751096    1.714728    6.770600   -0.000038   -0.000166    0.000144
Br    1.693714    1.602458    7.205154   -0.000156   -0.000182   -0.000398
Rb    5.151207    1.549051    6.947449    0.000064   -0.000066   -0.000084
Br   -1.634496   -1.730219    6.684656   -0.000066    0.000092   -0.000098
Rb    1.837689   -1.897117    7.340031   -0.000022   -0.000180   -0.000044
Br    5.328874   -1.893568    6.897988   -0.000160    0.000070    0.000122
Rb   -1.349056   -5.047307    6.195239   -0.000054   -0.000014   -0.000036
Br    1.997068   -5.332836    6.508715   -0.000136   -0.000044   -0.000158
Rb    5.381321   -5.231517    6.394825   -0.000016   -0.000028   -0.000110
Br   -1.333093   -5.018341    2.826525   -0.000450   -0.000346   -0.000530
Rb    2.299623   -5.064687    2.967204    0.000588   -0.002542    0.001274
Br    5.795079   -5.422733    3.042745   -0.000268   -0.000166    0.000048
Rb   -1.094687   -4.492080   -0.617864   -0.000300   -0.000370   -0.001006
Br    2.282653   -5.222185   -0.672072   -0.000734   -0.000242    0.000188
Rb    5.738797   -4.977357   -0.414103   -0.000254    0.000020   -0.000046
Br   -1.197130   -4.498494   -4.008142   -0.000078   -0.000164    0.000070
Rb    2.225452   -4.641082   -4.105142   -0.000062    0.000070   -0.000068
Br    5.636083   -4.658745   -3.825851   -0.000140   -0.000246   -0.000144
O     0.455575    0.321868    1.428101   -0.010848    0.043564    0.015986
H     0.897768    0.985361    0.872150    0.134536   -0.041758    0.046532
H    -0.468481    0.201854    0.943305    0.811892   -0.803958   -0.342328
O     3.361265    0.106076    1.600627   -0.010796    0.037080    0.013732
H     3.799306    0.731792    2.290437    0.669722   -0.683152   -0.259540
H     2.836915   -0.504973    2.144406    0.097562   -0.042068    0.017678
O     0.221427    3.448988    1.842535   -0.015474   -0.010232    0.000512
H     0.537090    4.125851    2.479296    0.258394   -0.083864   -0.102784
H    -0.466429    2.932421    2.310065   -0.038680    0.180012    0.142514
O     3.597888   -2.984134    1.191256   -0.014744   -0.011718    0.001052
H     4.302998   -2.593124    0.632701   -0.041222    0.189578    0.148324
H     3.109234   -3.617580    0.622889    0.254438   -0.073298   -0.111438
O     3.181679    3.391335    1.663027    0.010554   -0.021468   -0.003704
H     3.725302    3.969319    1.092895    0.067000    0.092352    0.197212
H     2.765505    2.735738    1.029691   -0.381028    0.600580   -0.110910
O     0.618749   -2.923144    1.378437    0.011628   -0.024730   -0.004664
H     1.297545   -2.687447    2.085753   -0.414428    0.665466   -0.131020
H     0.042395   -3.585768    1.809390    0.066532    0.119426    0.231656
66
* Frequency(172)  671.9700
Rb    5.171661    5.493478   -3.155216   -0.000064   -0.000046   -0.000036
Rb    5.562083   -1.266862   -3.730117   -0.000100   -0.000142    0.000138
Rb    5.409468   -1.938819    3.309895   -0.001254    0.002138   -0.001988
Rb    4.900922    4.947530    3.659098   -0.000244   -0.000358   -0.000892
Rb    1.959096   -1.349879   -0.696836   -0.003874    0.002414    0.002844
Rb    5.218659    1.853601   -0.104876    0.002064   -0.001996   -0.000672
Rb    1.979628    2.349513   -4.303459   -0.000008   -0.000198   -0.000018
Rb    1.845806    1.801240    3.733397   -0.003226    0.002064    0.002222
Rb    1.514715    5.520183    0.064675    0.000568   -0.002196    0.001146
Rb   -1.599161    2.394412   -0.271548   -0.001496    0.002516   -0.002318
Rb   -1.558911    5.687221   -3.359719   -0.000004   -0.000026   -0.000132
Rb   -1.339372   -1.092365   -3.904592    0.000112   -0.000054   -0.000036
Rb   -1.411443   -1.402194    3.145892    0.002370   -0.002486   -0.000574
Rb   -1.930550    5.433371    3.450169   -0.000262    0.000022   -0.000028
Br    5.448768    2.177164   -3.644886   -0.000006    0.000106   -0.000128
Br    5.986271   -1.504393   -0.295475    0.000366   -0.001148   -0.000970
Br    5.548059    1.538090    3.504099   -0.002048    0.001478    0.001174
Br    5.148614    5.467647    0.213881   -0.000358   -0.000230   -0.000468
Br    1.825499    5.787530   -3.475791   -0.000132   -0.000004   -0.000154
Br    2.117512   -1.148764   -4.166306   -0.000114   -0.000216   -0.000510
Br    1.987719   -1.689562    3.998391    0.000842   -0.000606    0.000486
Br    1.525724    5.680958    3.705694   -0.000758   -0.000106    0.000172
Br   -1.512604    2.349464   -3.859639   -0.000206    0.000126    0.000076
Br   -1.742365   -1.082622   -0.462679   -0.002660    0.001626    0.001338
Br   -2.169243    1.958656    3.336416    0.000276   -0.001188   -0.001088
Br   -1.981427    5.880692   -0.008170   -0.000280   -0.000216    0.000058
Br    1.821345    2.142928   -0.961561    0.000634   -0.000348    0.000262
Br   -1.826474    5.106757    6.861750   -0.000174   -0.000210   -0.000116
Rb    1.583568    5.095098    7.138010   -0.000028    0.000030   -0.000070
Br    5.006527    4.955376    7.048799   -0.000060   -0.000140    0.000052
Rb   -1.751095    1.714733    6.770596   -0.000038   -0.000166    0.000144
Br    1.693718    1.602463    7.205165   -0.000156   -0.000182   -0.000398
Rb    5.151206    1.549053    6.947451    0.000064   -0.000066   -0.000084
Br   -1.634494   -1.730222    6.684659   -0.000066    0.000092   -0.000098
Rb    1.837690   -1.897112    7.340032   -0.000022   -0.000180   -0.000044
Br    5.328879   -1.893570    6.897984   -0.000160    0.000070    0.000122
Rb   -1.349054   -5.047306    6.195240   -0.000054   -0.000014   -0.000036
Br    1.997071   -5.332835    6.508719   -0.000136   -0.000044   -0.000158
Rb    5.381322   -5.231516    6.394828   -0.000016   -0.000028   -0.000110
Br   -1.333080   -5.018331    2.826540   -0.000450   -0.000346   -0.000530
Rb    2.299606   -5.064615    2.967168    0.000588   -0.002542    0.001274
Br    5.795086   -5.422728    3.042743   -0.000268   -0.000166    0.000048
Rb   -1.094678   -4.492070   -0.617835   -0.000300   -0.000370   -0.001006
Br    2.282674   -5.222179   -0.672078   -0.000734   -0.000242    0.000188
Rb    5.738805   -4.977358   -0.414102   -0.000254    0.000020   -0.000046
Br   -1.197128   -4.498490   -4.008144   -0.000078   -0.000164    0.000070
Rb    2.225454   -4.641084   -4.105140   -0.000062    0.000070   -0.000068
Br    5.636087   -4.658738   -3.825847   -0.000140   -0.000246   -0.000144
O     0.455882    0.320636    1.427649   -0.010848    0.043564    0.015986
H     0.893963    0.986542    0.870833    0.134536   -0.041758    0.046532
H    -0.491445    0.224593    0.952988    0.811892   -0.803958   -0.342328
O     3.361571    0.105027    1.600238   -0.010796    0.037080    0.013732
H     3.780364    0.751115    2.297778    0.669722   -0.683152   -0.259540
H     2.834156   -0.503783    2.143906    0.097562   -0.042068    0.017678
O     0.221864    3.449277    1.842520   -0.015474   -0.010232    0.000512
H     0.529782    4.128223    2.482204    0.258394   -0.083864   -0.102784
H    -0.465335    2.927330    2.306034   -0.038680    0.180012    0.142514
O     3.598305   -2.983803    1.191226   -0.014744   -0.011718    0.001052
H     4.304163   -2.598486    0.628506   -0.041222    0.189578    0.148324
H     3.102038   -3.615507    0.626041    0.254438   -0.073298   -0.111438
O     3.181381    3.391942    1.663132    0.010554   -0.021468   -0.003704
H     3.723407    3.966707    1.087318    0.067000    0.092352    0.197212
H     2.776282    2.718751    1.032828   -0.381028    0.600580   -0.110910
O     0.618420   -2.922444    1.378569    0.011628   -0.024730   -0.004664
H     1.309266   -2.706269    2.089458   -0.414428    0.665466   -0.131020
H     0.040513   -3.589145    1.802838    0.066532    0.119426    0.231656
66
* Frequency(172)  671.9700
Rb    5.171661    5.493478   -3.155217   -0.000064   -0.000046   -0.000036
Rb    5.562082   -1.266864   -3.730116   -0.000100   -0.000142    0.000138
Rb    5.409456   -1.938798    3.309877   -0.001254    0.002138   -0.001988
Rb    4.900920    4.947526    3.659090   -0.000244   -0.000358   -0.000892
Rb    1.959059   -1.349856   -0.696809   -0.003874    0.002414    0.002844
Rb    5.218679    1.853582   -0.104882    0.002064   -0.001996   -0.000672
Rb    1.979628    2.349511   -4.303459   -0.000008   -0.000198   -0.000018
Rb    1.845776    1.801260    3.733418   -0.003226    0.002064    0.002222
Rb    1.514720    5.520162    0.064686    0.000568   -0.002196    0.001146
Rb   -1.599175    2.394436   -0.271571   -0.001496    0.002516   -0.002318
Rb   -1.558911    5.687221   -3.359720   -0.000004   -0.000026   -0.000132
Rb   -1.339371   -1.092366   -3.904593    0.000112   -0.000054   -0.000036
Rb   -1.411420   -1.402218    3.145887    0.002370   -0.002486   -0.000574
Rb   -1.930552    5.433372    3.450169   -0.000262    0.000022   -0.000028
Br    5.448768    2.177165   -3.644888   -0.000006    0.000106   -0.000128
Br    5.986275   -1.504403   -0.295484    0.000366   -0.001148   -0.000970
Br    5.548040    1.538105    3.504110   -0.002048    0.001478    0.001174
Br    5.148610    5.467645    0.213877   -0.000358   -0.000230   -0.000468
Br    1.825498    5.787530   -3.475793   -0.000132   -0.000004   -0.000154
Br    2.117511   -1.148766   -4.166311   -0.000114   -0.000216   -0.000510
Br    1.987727   -1.689567    3.998396    0.000842   -0.000606    0.000486
Br    1.525717    5.680957    3.705696   -0.000758   -0.000106    0.000172
Br   -1.512606    2.349465   -3.859638   -0.000206    0.000126    0.000076
Br   -1.742390   -1.082607   -0.462666   -0.002660    0.001626    0.001338
Br   -2.169241    1.958645    3.336406    0.000276   -0.001188   -0.001088
Br   -1.981430    5.880690   -0.008170   -0.000280   -0.000216    0.000058
Br    1.821351    2.142925   -0.961559    0.000634   -0.000348    0.000262
Br   -1.826476    5.106755    6.861749   -0.000174   -0.000210   -0.000116
Rb    1.583568    5.095098    7.138010   -0.000028    0.000030   -0.000070
Br    5.006526    4.955375    7.048799   -0.000060   -0.000140    0.000052
Rb   -1.751095    1.714731    6.770597   -0.000038   -0.000166    0.000144
Br    1.693717    1.602462    7.205161   -0.000156   -0.000182   -0.000398
Rb    5.151206    1.549052    6.947451    0.000064   -0.000066   -0.000084
Br   -1.634495   -1.730221    6.684658   -0.000066    0.000092   -0.000098
Rb    1.837689   -1.897114    7.340032   -0.000022   -0.000180   -0.000044
Br    5.328877   -1.893570    6.897986   -0.000160    0.000070    0.000122
Rb   -1.349055   -5.047306    6.195239   -0.000054   -0.000014   -0.000036
Br    1.997070   -5.332835    6.508718   -0.000136   -0.000044   -0.000158
Rb    5.381321   -5.231516    6.394827   -0.000016   -0.000028   -0.000110
Br   -1.333084   -5.018335    2.826535   -0.000450   -0.000346   -0.000530
Rb    2.299611   -5.064640    2.967180    0.000588   -0.002542    0.001274
Br    5.795084   -5.422730    3.042744   -0.000268   -0.000166    0.000048
Rb   -1.094681   -4.492073   -0.617845   -0.000300   -0.000370   -0.001006
Br    2.282667   -5.222181   -0.672076   -0.000734   -0.000242    0.000188
Rb    5.738802   -4.977358   -0.414102   -0.000254    0.000020   -0.000046
Br   -1.197129   -4.498491   -4.008144   -0.000078   -0.000164    0.000070
Rb    2.225453   -4.641084   -4.105141   -0.000062    0.000070   -0.000068
Br    5.636086   -4.658741   -3.825848   -0.000140   -0.000246   -0.000144
O     0.455779    0.321050    1.427801   -0.010848    0.043564    0.015986
H     0.895243    0.986145    0.871276    0.134536   -0.041758    0.046532
H    -0.483720    0.216944    0.949730    0.811892   -0.803958   -0.342328
O     3.361468    0.105380    1.600369   -0.010796    0.037080    0.013732
H     3.786736    0.744615    2.295308    0.669722   -0.683152   -0.259540
H     2.835084   -0.504184    2.144074    0.097562   -0.042068    0.017678
O     0.221717    3.449180    1.842525   -0.015474   -0.010232    0.000512
H     0.532240    4.127425    2.481226    0.258394   -0.083864   -0.102784
H    -0.465703    2.929043    2.307390   -0.038680    0.180012    0.142514
O     3.598164   -2.983914    1.191236   -0.014744   -0.011718    0.001052
H     4.303771   -2.596682    0.629917   -0.041222    0.189578    0.148324
H     3.104459   -3.616205    0.624981    0.254438   -0.073298   -0.111438
O     3.181481    3.391738    1.663097    0.010554   -0.021468   -0.003704
H     3.724045    3.967586    1.089194    0.067000    0.092352    0.197212
H     2.772657    2.724465    1.031773   -0.381028    0.600580   -0.110910
O     0.618531   -2.922679    1.378524    0.011628   -0.024730   -0.004664
H     1.305323   -2.699937    2.088212   -0.414428    0.665466   -0.131020
H     0.041146   -3.588009    1.805042    0.066532    0.119426    0.231656
66
* Frequency(172)  671.9700
Rb    5.171658    5.493475   -3.155218   -0.000064   -0.000046   -0.000036
Rb    5.562077   -1.266870   -3.730109   -0.000100   -0.000142    0.000138
Rb    5.409398   -1.938699    3.309785   -0.001254    0.002138   -0.001988
Rb    4.900908    4.947510    3.659048   -0.000244   -0.000358   -0.000892
Rb    1.958880   -1.349744   -0.696677   -0.003874    0.002414    0.002844
Rb    5.218774    1.853490   -0.104913    0.002064   -0.001996   -0.000672
Rb    1.979627    2.349502   -4.303460   -0.000008   -0.000198   -0.000018
Rb    1.845626    1.801355    3.733521   -0.003226    0.002064    0.002222
Rb    1.514747    5.520060    0.064739    0.000568   -0.002196    0.001146
Rb   -1.599245    2.394553   -0.271678   -0.001496    0.002516   -0.002318
Rb   -1.558911    5.687220   -3.359726   -0.000004   -0.000026   -0.000132
Rb   -1.339366   -1.092368   -3.904594    0.000112   -0.000054   -0.000036
Rb   -1.411310   -1.402333    3.145860    0.002370   -0.002486   -0.000574
Rb   -1.930564    5.433373    3.450167   -0.000262    0.000022   -0.000028
Br    5.448768    2.177170   -3.644893   -0.000006    0.000106   -0.000128
Br    5.986292   -1.504457   -0.295529    0.000366   -0.001148   -0.000970
Br    5.547945    1.538173    3.504164   -0.002048    0.001478    0.001174
Br    5.148594    5.467634    0.213855   -0.000358   -0.000230   -0.000468
Br    1.825492    5.787530   -3.475800   -0.000132   -0.000004   -0.000154
Br    2.117505   -1.148776   -4.166335   -0.000114   -0.000216   -0.000510
Br    1.987766   -1.689595    3.998419    0.000842   -0.000606    0.000486
Br    1.525682    5.680952    3.705704   -0.000758   -0.000106    0.000172
Br   -1.512616    2.349471   -3.859634   -0.000206    0.000126    0.000076
Br   -1.742514   -1.082531   -0.462604   -0.002660    0.001626    0.001338
Br   -2.169228    1.958590    3.336356    0.000276   -0.001188   -0.001088
Br   -1.981443    5.880680   -0.008167   -0.000280   -0.000216    0.000058
Br    1.821380    2.142909   -0.961547    0.000634   -0.000348    0.000262
Br   -1.826484    5.106746    6.861744   -0.000174   -0.000210   -0.000116
Rb    1.583566    5.095099    7.138007   -0.000028    0.000030   -0.000070
Br    5.006524    4.955368    7.048802   -0.000060   -0.000140    0.000052
Rb   -1.751097    1.714724    6.770604   -0.000038   -0.000166    0.000144
Br    1.693710    1.602453    7.205143   -0.000156   -0.000182   -0.000398
Rb    5.151209    1.549049    6.947447    0.000064   -0.000066   -0.000084
Br   -1.634498   -1.730217    6.684654   -0.000066    0.000092   -0.000098
Rb    1.837688   -1.897122    7.340030   -0.000022   -0.000180   -0.000044
Br    5.328870   -1.893567    6.897991   -0.000160    0.000070    0.000122
Rb   -1.349057   -5.047307    6.195238   -0.000054   -0.000014   -0.000036
Br    1.997064   -5.332837    6.508710   -0.000136   -0.000044   -0.000158
Rb    5.381321   -5.231518    6.394822   -0.000016   -0.000028   -0.000110
Br   -1.333105   -5.018351    2.826510   -0.000450   -0.000346   -0.000530
Rb    2.299639   -5.064757    2.967239    0.000588   -0.002542    0.001274
Br    5.795072   -5.422737    3.042746   -0.000268   -0.000166    0.000048
Rb   -1.094695   -4.492091   -0.617891   -0.000300   -0.000370   -0.001006
Br    2.282633   -5.222192   -0.672067   -0.000734   -0.000242    0.000188
Rb    5.738790   -4.977357   -0.414105   -0.000254    0.000020   -0.000046
Br   -1.197132   -4.498499   -4.008141   -0.000078   -0.000164    0.000070
Rb    2.225450   -4.641081   -4.105144   -0.000062    0.000070   -0.000068
Br    5.636079   -4.658752   -3.825855   -0.000140   -0.000246   -0.000144
O     0.455277    0.323066    1.428541   -0.010848    0.043564    0.015986
H     0.901470    0.984212    0.873430    0.134536   -0.041758    0.046532
H    -0.446144    0.179735    0.933887    0.811892   -0.803958   -0.342328
O     3.360968    0.107096    1.601004   -0.010796    0.037080    0.013732
H     3.817732    0.712997    2.283296    0.669722   -0.683152   -0.259540
H     2.839600   -0.506131    2.144892    0.097562   -0.042068    0.017678
O     0.221001    3.448706    1.842549   -0.015474   -0.010232    0.000512
H     0.544199    4.123544    2.476469    0.258394   -0.083864   -0.102784
H    -0.467493    2.937374    2.313986   -0.038680    0.180012    0.142514
O     3.597482   -2.984457    1.191285   -0.014744   -0.011718    0.001052
H     4.301863   -2.587908    0.636782   -0.041222    0.189578    0.148324
H     3.116235   -3.619597    0.619823    0.254438   -0.073298   -0.111438
O     3.181970    3.390744    1.662925    0.010554   -0.021468   -0.003704
H     3.727145    3.971860    1.098321    0.067000    0.092352    0.197212
H     2.755022    2.752261    1.026640   -0.381028    0.600580   -0.110910
O     0.619069   -2.923824    1.378309    0.011628   -0.024730   -0.004664
H     1.286143   -2.669138    2.082148   -0.414428    0.665466   -0.131020
H     0.044226   -3.582482    1.815764    0.066532    0.119426    0.231656
66
* Frequency(172)  671.9700
Rb    5.171653    5.493472   -3.155221   -0.000064   -0.000046   -0.000036
Rb    5.562069   -1.266881   -3.730099   -0.000100   -0.000142    0.000138
Rb    5.409301   -1.938533    3.309629   -0.001254    0.002138   -0.001988
Rb    4.900889    4.947482    3.658979   -0.000244   -0.000358   -0.000892
Rb    1.958578   -1.349556   -0.696455   -0.003874    0.002414    0.002844
Rb    5.218935    1.853334   -0.104966    0.002064   -0.001996   -0.000672
Rb    1.979627    2.349487   -4.303461   -0.000008   -0.000198   -0.000018
Rb    1.845375    1.801516    3.733694   -0.003226    0.002064    0.002222
Rb    1.514791    5.519889    0.064829    0.000568   -0.002196    0.001146
Rb   -1.599361    2.394749   -0.271859   -0.001496    0.002516   -0.002318
Rb   -1.558911    5.687218   -3.359737   -0.000004   -0.000026   -0.000132
Rb   -1.339357   -1.092372   -3.904597    0.000112   -0.000054   -0.000036
Rb   -1.411125   -1.402527    3.145815    0.002370   -0.002486   -0.000574
Rb   -1.930585    5.433374    3.450165   -0.000262    0.000022   -0.000028
Br    5.448767    2.177178   -3.644903   -0.000006    0.000106   -0.000128
Br    5.986320   -1.504546   -0.295604    0.000366   -0.001148   -0.000970
Br    5.547785    1.538288    3.504256   -0.002048    0.001478    0.001174
Br    5.148566    5.467616    0.213819   -0.000358   -0.000230   -0.000468
Br    1.825481    5.787530   -3.475812   -0.000132   -0.000004   -0.000154
Br    2.117497   -1.148793   -4.166374   -0.000114   -0.000216   -0.000510
Br    1.987832   -1.689643    3.998457    0.000842   -0.000606    0.000486
Br    1.525623    5.680944    3.705717   -0.000758   -0.000106    0.000172
Br   -1.512632    2.349481   -3.859628   -0.000206    0.000126    0.000076
Br   -1.742721   -1.082405   -0.462500   -0.002660    0.001626    0.001338
Br   -2.169206    1.958497    3.336271    0.000276   -0.001188   -0.001088
Br   -1.981465    5.880663   -0.008162   -0.000280   -0.000216    0.000058
Br    1.821430    2.142882   -0.961526    0.000634   -0.000348    0.000262
Br   -1.826498    5.106729    6.861735   -0.000174   -0.000210   -0.000116
Rb    1.583564    5.095102    7.138001   -0.000028    0.000030   -0.000070
Br    5.006519    4.955357    7.048806   -0.000060   -0.000140    0.000052
Rb   -1.751100    1.714711    6.770615   -0.000038   -0.000166    0.000144
Br    1.693698    1.602439    7.205112   -0.000156   -0.000182   -0.000398
Rb    5.151214    1.549044    6.947440    0.000064   -0.000066   -0.000084
Br   -1.634503   -1.730210    6.684646   -0.000066    0.000092   -0.000098
Rb    1.837687   -1.897136    7.340026   -0.000022   -0.000180   -0.000044
Br    5.328857   -1.893561    6.898001   -0.000160    0.000070    0.000122
Rb   -1.349061   -5.047308    6.195235   -0.000054   -0.000014   -0.000036
Br    1.997053   -5.332841    6.508698   -0.000136   -0.000044   -0.000158
Rb    5.381319   -5.231520    6.394814   -0.000016   -0.000028   -0.000110
Br   -1.333140   -5.018378    2.826469   -0.000450   -0.000346   -0.000530
Rb    2.299685   -5.064956    2.967338    0.000588   -0.002542    0.001274
Br    5.795051   -5.422750    3.042750   -0.000268   -0.000166    0.000048
Rb   -1.094719   -4.492119   -0.617970   -0.000300   -0.000370   -0.001006
Br    2.282576   -5.222211   -0.672052   -0.000734   -0.000242    0.000188
Rb    5.738771   -4.977355   -0.414108   -0.000254    0.000020   -0.000046
Br   -1.197138   -4.498512   -4.008135   -0.000078   -0.000164    0.000070
Rb    2.225445   -4.641075   -4.105149   -0.000062    0.000070   -0.000068
Br    5.636068   -4.658771   -3.825866   -0.000140   -0.000246   -0.000144
O     0.454430    0.326466    1.429788   -0.010848    0.043564    0.015986
H     0.911968    0.980954    0.877061    0.134536   -0.041758    0.046532
H    -0.382789    0.116999    0.907174    0.811892   -0.803958   -0.342328
O     3.360126    0.109990    1.602076   -0.010796    0.037080    0.013732
H     3.869993    0.659688    2.263043    0.669722   -0.683152   -0.259540
H     2.847213   -0.509413    2.146272    0.097562   -0.042068    0.017678
O     0.219794    3.447908    1.842589   -0.015474   -0.010232    0.000512
H     0.564363    4.117000    2.468448    0.258394   -0.083864   -0.102784
H    -0.470512    2.951421    2.325107   -0.038680    0.180012    0.142514
O     3.596332   -2.985371    1.191367   -0.014744   -0.011718    0.001052
H     4.298647   -2.573114    0.648356   -0.041222    0.189578    0.148324
H     3.136089   -3.625317    0.611127    0.254438   -0.073298   -0.111438
O     3.182793    3.389069    1.662636    0.010554   -0.021468   -0.003704
H     3.732374    3.979067    1.113710    0.067000    0.092352    0.197212
H     2.725289    2.799127    1.017985   -0.381028    0.600580   -0.110910
O     0.619976   -2.925754    1.377945    0.011628   -0.024730   -0.004664
H     1.253803   -2.617209    2.071924   -0.414428    0.665466   -0.131020
H     0.049417   -3.573163    1.833841    0.066532    0.119426    0.231656
66
* Frequency(172)  671.9700
Rb    5.171646    5.493467   -3.155225   -0.000064   -0.000046   -0.000036
Rb    5.562059   -1.266896   -3.730085   -0.000100   -0.000142    0.000138
Rb    5.409174   -1.938316    3.309428   -0.001254    0.002138   -0.001988
Rb    4.900865    4.947446    3.658888   -0.000244   -0.000358   -0.000892
Rb    1.958185   -1.349311   -0.696167   -0.003874    0.002414    0.002844
Rb    5.219144    1.853132   -0.105034    0.002064   -0.001996   -0.000672
Rb    1.979626    2.349467   -4.303463   -0.000008   -0.000198   -0.000018
Rb    1.845048    1.801725    3.733919   -0.003226    0.002064    0.002222
Rb    1.514848    5.519667    0.064945    0.000568   -0.002196    0.001146
Rb   -1.599513    2.395004   -0.272094   -0.001496    0.002516   -0.002318
Rb   -1.558912    5.687215   -3.359750   -0.000004   -0.000026   -0.000132
Rb   -1.339346   -1.092378   -3.904601    0.000112   -0.000054   -0.000036
Rb   -1.410885   -1.402778    3.145757    0.002370   -0.002486   -0.000574
Rb   -1.930611    5.433376    3.450162   -0.000262    0.000022   -0.000028
Br    5.448767    2.177189   -3.644916   -0.000006    0.000106   -0.000128
Br    5.986357   -1.504663   -0.295703    0.000366   -0.001148   -0.000970
Br    5.547578    1.538438    3.504375   -0.002048    0.001478    0.001174
Br    5.148530    5.467593    0.213771   -0.000358   -0.000230   -0.000468
Br    1.825468    5.787529   -3.475827   -0.000132   -0.000004   -0.000154
Br    2.117485   -1.148814   -4.166426   -0.000114   -0.000216   -0.000510
Br    1.987917   -1.689704    3.998506    0.000842   -0.000606    0.000486
Br    1.525546    5.680933    3.705734   -0.000758   -0.000106    0.000172
Br   -1.512653    2.349494   -3.859621   -0.000206    0.000126    0.000076
Br   -1.742991   -1.082240   -0.462364   -0.002660    0.001626    0.001338
Br   -2.169178    1.958377    3.336161    0.000276   -0.001188   -0.001088
Br   -1.981493    5.880642   -0.008157   -0.000280   -0.000216    0.000058
Br    1.821494    2.142847   -0.961500    0.000634   -0.000348    0.000262
Br   -1.826515    5.106708    6.861723   -0.000174   -0.000210   -0.000116
Rb    1.583561    5.095105    7.137994   -0.000028    0.000030   -0.000070
Br    5.006513    4.955343    7.048811   -0.000060   -0.000140    0.000052
Rb   -1.751104    1.714694    6.770630   -0.000038   -0.000166    0.000144
Br    1.693682    1.602421    7.205071   -0.000156   -0.000182   -0.000398
Rb    5.151221    1.549038    6.947432    0.000064   -0.000066   -0.000084
Br   -1.634509   -1.730200    6.684636   -0.000066    0.000092   -0.000098
Rb    1.837685   -1.897155    7.340022   -0.000022   -0.000180   -0.000044
Br    5.328841   -1.893554    6.898013   -0.000160    0.000070    0.000122
Rb   -1.349067   -5.047309    6.195231   -0.000054   -0.000014   -0.000036
Br    1.997039   -5.332845    6.508682   -0.000136   -0.000044   -0.000158
Rb    5.381318   -5.231523    6.394803   -0.000016   -0.000028   -0.000110
Br   -1.333186   -5.018413    2.826415   -0.000450   -0.000346   -0.000530
Rb    2.299744   -5.065213    2.967467    0.000588   -0.002542    0.001274
Br    5.795023   -5.422767    3.042755   -0.000268   -0.000166    0.000048
Rb   -1.094749   -4.492157   -0.618072   -0.000300   -0.000370   -0.001006
Br    2.282501   -5.222235   -0.672033   -0.000734   -0.000242    0.000188
Rb    5.738745   -4.977353   -0.414113   -0.000254    0.000020   -0.000046
Br   -1.197146   -4.498528   -4.008128   -0.000078   -0.000164    0.000070
Rb    2.225439   -4.641068   -4.105156   -0.000062    0.000070   -0.000068
Br    5.636054   -4.658796   -3.825881   -0.000140   -0.000246   -0.000144
O     0.453331    0.330880    1.431408   -0.010848    0.043564    0.015986
H     0.925601    0.976723    0.881776    0.134536   -0.041758    0.046532
H    -0.300520    0.035535    0.872486    0.811892   -0.803958   -0.342328
O     3.359032    0.113747    1.603467   -0.010796    0.037080    0.013732
H     3.937856    0.590465    2.236744    0.669722   -0.683152   -0.259540
H     2.857099   -0.513676    2.148063    0.097562   -0.042068    0.017678
O     0.218226    3.446871    1.842641   -0.015474   -0.010232    0.000512
H     0.590546    4.108502    2.458033    0.258394   -0.083864   -0.102784
H    -0.474431    2.969662    2.339548   -0.038680    0.180012    0.142514
O     3.594838   -2.986558    1.191473   -0.014744   -0.011718    0.001052
H     4.294470   -2.553905    0.663386   -0.041222    0.189578    0.148324
H     3.161871   -3.632744    0.599835    0.254438   -0.073298   -0.111438
O     3.183863    3.386894    1.662261    0.010554   -0.021468   -0.003704
H     3.739163    3.988425    1.133694    0.067000    0.092352    0.197212
H     2.686680    2.859983    1.006746   -0.381028    0.600580   -0.110910
O     0.621155   -2.928260    1.377472    0.011628   -0.024730   -0.004664
H     1.211810   -2.549778    2.058648   -0.414428    0.665466   -0.131020
H     0.056159   -3.561061    1.857314    0.066532    0.119426    0.231656
66
* Frequency(172)  671.9700
Rb    5.171639    5.493462   -3.155229   -0.000064   -0.000046   -0.000036
Rb    5.562048   -1.266912   -3.730069   -0.000100   -0.000142    0.000138
Rb    5.409031   -1.938073    3.309202   -0.001254    0.002138   -0.001988
Rb    4.900837    4.947405    3.658787   -0.000244   -0.000358   -0.000892
Rb    1.957745   -1.349037   -0.695844   -0.003874    0.002414    0.002844
Rb    5.219379    1.852905   -0.105110    0.002064   -0.001996   -0.000672
Rb    1.979625    2.349444   -4.303465   -0.000008   -0.000198   -0.000018
Rb    1.844681    1.801960    3.734172   -0.003226    0.002064    0.002222
Rb    1.514913    5.519417    0.065075    0.000568   -0.002196    0.001146
Rb   -1.599683    2.395290   -0.272357   -0.001496    0.002516   -0.002318
Rb   -1.558912    5.687212   -3.359765   -0.000004   -0.000026   -0.000132
Rb   -1.339333   -1.092384   -3.904605    0.000112   -0.000054   -0.000036
Rb   -1.410616   -1.403061    3.145692    0.002370   -0.002486   -0.000574
Rb   -1.930641    5.433379    3.450159   -0.000262    0.000022   -0.000028
Br    5.448766    2.177201   -3.644931   -0.000006    0.000106   -0.000128
Br    5.986399   -1.504793   -0.295813    0.000366   -0.001148   -0.000970
Br    5.547345    1.538606    3.504508   -0.002048    0.001478    0.001174
Br    5.148489    5.467567    0.213718   -0.000358   -0.000230   -0.000468
Br    1.825453    5.787529   -3.475845   -0.000132   -0.000004   -0.000154
Br    2.117472   -1.148839   -4.166484   -0.000114   -0.000216   -0.000510
Br    1.988013   -1.689773    3.998561    0.000842   -0.000606    0.000486
Br    1.525460    5.680921    3.705754   -0.000758   -0.000106    0.000172
Br   -1.512676    2.349508   -3.859612   -0.000206    0.000126    0.000076
Br   -1.743293   -1.082055   -0.462212   -0.002660    0.001626    0.001338
Br   -2.169147    1.958242    3.336037    0.000276   -0.001188   -0.001088
Br   -1.981525    5.880617   -0.008150   -0.000280   -0.000216    0.000058
Br    1.821566    2.142807   -0.961470    0.000634   -0.000348    0.000262
Br   -1.826535    5.106684    6.861710   -0.000174   -0.000210   -0.000116
Rb    1.583558    5.095108    7.137986   -0.000028    0.000030   -0.000070
Br    5.006506    4.955327    7.048817   -0.000060   -0.000140    0.000052
Rb   -1.751108    1.714675    6.770646   -0.000038   -0.000166    0.000144
Br    1.693664    1.602400    7.205026   -0.000156   -0.000182   -0.000398
Rb    5.151228    1.549030    6.947422    0.000064   -0.000066   -0.000084
Br   -1.634517   -1.730190    6.684625   -0.000066    0.000092   -0.000098
Rb    1.837682   -1.897175    7.340017   -0.000022   -0.000180   -0.000044
Br    5.328823   -1.893546    6.898027   -0.000160    0.000070    0.000122
Rb   -1.349073   -5.047311    6.195227   -0.000054   -0.000014   -0.000036
Br    1.997024   -5.332850    6.508664   -0.000136   -0.000044   -0.000158
Rb    5.381316   -5.231526    6.394790   -0.000016   -0.000028   -0.000110
Br   -1.333237   -5.018452    2.826355   -0.000450   -0.000346   -0.000530
Rb    2.299811   -5.065502    2.967612    0.000588   -0.002542    0.001274
Br    5.794993   -5.422786    3.042760   -0.000268   -0.000166    0.000048
Rb   -1.094783   -4.492199   -0.618186   -0.000300   -0.000370   -0.001006
Br    2.282418   -5.222263   -0.672012   -0.000734   -0.000242    0.000188
Rb    5.738716   -4.977351   -0.414118   -0.000254    0.000020   -0.000046
Br   -1.197155   -4.498547   -4.008120   -0.000078   -0.000164    0.000070
Rb    2.225432   -4.641060   -4.105164   -0.000062    0.000070   -0.000068
Br    5.636038   -4.658824   -3.825897   -0.000140   -0.000246   -0.000144
O     0.452098    0.335831    1.433225   -0.010848    0.043564    0.015986
H     0.940890    0.971977    0.887064    0.134536   -0.041758    0.046532
H    -0.208253   -0.055831    0.833582    0.811892   -0.803958   -0.342328
O     3.357805    0.117961    1.605028   -0.010796    0.037080    0.013732
H     4.013966    0.512828    2.207249    0.669722   -0.683152   -0.259540
H     2.868186   -0.518457    2.150072    0.097562   -0.042068    0.017678
O     0.216467    3.445708    1.842699   -0.015474   -0.010232    0.000512
H     0.619911    4.098971    2.446352    0.258394   -0.083864   -0.102784
H    -0.478827    2.990119    2.355744   -0.038680    0.180012    0.142514
O     3.593162   -2.987890    1.191593   -0.014744   -0.011718    0.001052
H     4.289785   -2.532360    0.680242   -0.041222    0.189578    0.148324
H     3.190787   -3.641074    0.587171    0.254438   -0.073298   -0.111438
O     3.185062    3.384454    1.661840    0.010554   -0.021468   -0.003704
H     3.746777    3.998920    1.156106    0.067000    0.092352    0.197212
H     2.643378    2.928236    0.994142   -0.381028    0.600580   -0.110910
O     0.622476   -2.931070    1.376942    0.011628   -0.024730   -0.004664
H     1.164712   -2.474151    2.043758   -0.414428    0.665466   -0.131020
H     0.063720   -3.547489    1.883641    0.066532    0.119426    0.231656
