66
* (null), Energy   -1000.0000000
Rb    5.171639    5.493462   -3.155229   -0.000256   -0.000090   -0.000524
Rb    5.562048   -1.266912   -3.730069   -0.000220   -0.000204   -0.000256
Rb    5.409031   -1.938073    3.309202   -0.000052    0.000976    0.001200
Rb    4.900837    4.947405    3.658787    0.001542    0.001268    0.003308
Rb    1.957745   -1.349037   -0.695844   -0.002254    0.000830    0.001672
Rb    5.219379    1.852905   -0.105110    0.002804    0.001898   -0.004406
Rb    1.979625    2.349444   -4.303465   -0.000138   -0.000060   -0.000230
Rb    1.844681    1.801960    3.734172   -0.002160    0.000594    0.001618
Rb    1.514913    5.519417    0.065075    0.000462   -0.000148   -0.001150
Rb   -1.599683    2.395290   -0.272357   -0.000166    0.000848    0.001172
Rb   -1.558912    5.687212   -3.359765   -0.000128   -0.000150   -0.000068
Rb   -1.339333   -1.092384   -3.904605   -0.000292   -0.000228    0.000396
Rb   -1.410616   -1.403061    3.145692    0.002762    0.001430   -0.004002
Rb   -1.930641    5.433379    3.450159    0.000232    0.000342    0.000132
Br    5.448766    2.177201   -3.644931    0.000064    0.000098    0.000478
Br    5.986399   -1.504793   -0.295813   -0.000020    0.002054    0.000734
Br    5.547345    1.538606    3.504508   -0.000588    0.001492   -0.001434
Br    5.148489    5.467567    0.213718    0.000246    0.000194    0.001878
Br    1.825453    5.787529   -3.475845    0.000210    0.000004    0.000182
Br    2.117472   -1.148839   -4.166484    0.000316    0.000266   -0.000218
Br    1.988013   -1.689773    3.998561    0.004278    0.002698    0.000096
Br    1.525460    5.680921    3.705754    0.002428   -0.000146   -0.000762
Br   -1.512676    2.349508   -3.859612    0.000280    0.000256   -0.000142
Br   -1.743293   -1.082055   -0.462212   -0.000242    0.001822   -0.001838
Br   -2.169147    1.958242    3.336037    0.000210    0.002246    0.000684
Br   -1.981525    5.880617   -0.008150    0.000156    0.000100   -0.000060
Br    1.821566    2.142807   -0.961470    0.004022    0.002850   -0.000166
Br   -1.826535    5.106684    6.861710    0.000220    0.000102   -0.000116
Rb    1.583558    5.095108    7.137986   -0.000154   -0.000134    0.000172
Br    5.006506    4.955327    7.048817    0.000056   -0.000186   -0.000570
Rb   -1.751108    1.714675    6.770646   -0.000268   -0.000180   -0.000290
Br    1.693664    1.602400    7.205026    0.000370    0.000098   -0.000418
Rb    5.151228    1.549030    6.947422   -0.000236   -0.000164    0.000444
Br   -1.634517   -1.730190    6.684625    0.000334    0.000130    0.000406
Rb    1.837682   -1.897175    7.340017   -0.000138   -0.000132   -0.000120
Br    5.328823   -1.893546    6.898027   -0.000006    0.000378   -0.000330
Rb   -1.349073   -5.047311    6.195227   -0.000236   -0.000098   -0.000568
Br    1.997024   -5.332850    6.508664    0.000256    0.000266    0.000086
Rb    5.381316   -5.231526    6.394790   -0.000134   -0.000134   -0.000064
Br   -1.333237   -5.018452    2.826355    0.000502    0.000228    0.002132
Rb    2.299811   -5.065502    2.967612    0.000504   -0.000374   -0.001134
Br    5.794993   -5.422786    3.042760    0.000018    0.000128   -0.000014
Rb   -1.094783   -4.492199   -0.618186    0.001538    0.001314    0.003424
Br    2.282418   -5.222263   -0.672012    0.002610    0.000186   -0.000670
Rb    5.738716   -4.977351   -0.414118    0.000228    0.000180   -0.000058
Br   -1.197155   -4.498547   -4.008120    0.000152   -0.000082   -0.000550
Rb    2.225432   -4.641060   -4.105164   -0.000154   -0.000196    0.000130
Br    5.636038   -4.658824   -3.825897    0.000210    0.000146   -0.000030
O     0.452098    0.335831    1.433225    0.010626    0.018890    0.030568
H     0.940890    0.971977    0.887064   -0.211654   -0.266820   -0.524704
H    -0.208253   -0.055831    0.833582   -0.000844   -0.523846    0.391482
O     3.357805    0.117961    1.605028    0.010866    0.015996    0.033500
H     4.013966    0.512828    2.207249   -0.001282   -0.546532    0.409086
H     2.868186   -0.518457    2.150072   -0.244880   -0.252554   -0.532836
O     0.216467    3.445708    1.842699    0.014782    0.013598   -0.001160
H     0.619911    4.098971    2.446352   -0.420196    0.063370    0.238988
H    -0.478827    2.990119    2.355744    0.108584   -0.418298   -0.257158
O     3.593162   -2.987890    1.191593    0.014916    0.014174   -0.001516
H     4.289785   -2.532360    0.680242    0.108874   -0.422332   -0.261318
H     3.190787   -3.641074    0.587171   -0.425862    0.064328    0.241608
O     3.185062    3.384454    1.661840    0.001912   -0.003338   -0.020536
H     3.746777    3.998920    1.156106   -0.180528   -0.178304   -0.424804
H     2.643378    2.928236    0.994142   -0.463154   -0.034514    0.398548
O     0.622476   -2.931070    1.376942    0.002294   -0.003640   -0.020228
H     1.164712   -2.474151    2.043758   -0.498392   -0.020426    0.418892
H     0.063720   -3.547489    1.883641   -0.186232   -0.188886   -0.442162
66
* Frequency(164)  552.5600
Rb    5.171610    5.493452   -3.155289   -0.000256   -0.000090   -0.000524
Rb    5.562023   -1.266935   -3.730098   -0.000220   -0.000204   -0.000256
Rb    5.409025   -1.937962    3.309338   -0.000052    0.000976    0.001200
Rb    4.901012    4.947549    3.659163    0.001542    0.001268    0.003308
Rb    1.957489   -1.348943   -0.695654   -0.002254    0.000830    0.001672
Rb    5.219698    1.853121   -0.105611    0.002804    0.001898   -0.004406
Rb    1.979609    2.349437   -4.303491   -0.000138   -0.000060   -0.000230
Rb    1.844436    1.802028    3.734356   -0.002160    0.000594    0.001618
Rb    1.514966    5.519400    0.064944    0.000462   -0.000148   -0.001150
Rb   -1.599702    2.395386   -0.272224   -0.000166    0.000848    0.001172
Rb   -1.558927    5.687195   -3.359773   -0.000128   -0.000150   -0.000068
Rb   -1.339366   -1.092410   -3.904560   -0.000292   -0.000228    0.000396
Rb   -1.410302   -1.402898    3.145237    0.002762    0.001430   -0.004002
Rb   -1.930615    5.433418    3.450174    0.000232    0.000342    0.000132
Br    5.448773    2.177212   -3.644877    0.000064    0.000098    0.000478
Br    5.986397   -1.504560   -0.295730   -0.000020    0.002054    0.000734
Br    5.547278    1.538776    3.504345   -0.000588    0.001492   -0.001434
Br    5.148517    5.467589    0.213931    0.000246    0.000194    0.001878
Br    1.825477    5.787529   -3.475824    0.000210    0.000004    0.000182
Br    2.117508   -1.148809   -4.166509    0.000316    0.000266   -0.000218
Br    1.988499   -1.689466    3.998572    0.004278    0.002698    0.000096
Br    1.525736    5.680904    3.705667    0.002428   -0.000146   -0.000762
Br   -1.512644    2.349537   -3.859628    0.000280    0.000256   -0.000142
Br   -1.743321   -1.081848   -0.462421   -0.000242    0.001822   -0.001838
Br   -2.169123    1.958497    3.336115    0.000210    0.002246    0.000684
Br   -1.981507    5.880628   -0.008157    0.000156    0.000100   -0.000060
Br    1.822023    2.143131   -0.961489    0.004022    0.002850   -0.000166
Br   -1.826510    5.106696    6.861697    0.000220    0.000102   -0.000116
Rb    1.583540    5.095093    7.138006   -0.000154   -0.000134    0.000172
Br    5.006512    4.955306    7.048752    0.000056   -0.000186   -0.000570
Rb   -1.751138    1.714655    6.770613   -0.000268   -0.000180   -0.000290
Br    1.693706    1.602411    7.204978    0.000370    0.000098   -0.000418
Rb    5.151201    1.549011    6.947472   -0.000236   -0.000164    0.000444
Br   -1.634479   -1.730175    6.684671    0.000334    0.000130    0.000406
Rb    1.837666   -1.897190    7.340003   -0.000138   -0.000132   -0.000120
Br    5.328822   -1.893503    6.897989   -0.000006    0.000378   -0.000330
Rb   -1.349100   -5.047322    6.195162   -0.000236   -0.000098   -0.000568
Br    1.997053   -5.332820    6.508674    0.000256    0.000266    0.000086
Rb    5.381301   -5.231541    6.394783   -0.000134   -0.000134   -0.000064
Br   -1.333180   -5.018426    2.826597    0.000502    0.000228    0.002132
Rb    2.299868   -5.065545    2.967483    0.000504   -0.000374   -0.001134
Br    5.794995   -5.422771    3.042758    0.000018    0.000128   -0.000014
Rb   -1.094608   -4.492050   -0.617797    0.001538    0.001314    0.003424
Br    2.282715   -5.222242   -0.672088    0.002610    0.000186   -0.000670
Rb    5.738742   -4.977331   -0.414125    0.000228    0.000180   -0.000058
Br   -1.197138   -4.498556   -4.008183    0.000152   -0.000082   -0.000550
Rb    2.225414   -4.641082   -4.105149   -0.000154   -0.000196    0.000130
Br    5.636062   -4.658807   -3.825900    0.000210    0.000146   -0.000030
O     0.453306    0.337978    1.436699    0.010626    0.018890    0.030568
H     0.916837    0.941654    0.827434   -0.211654   -0.266820   -0.524704
H    -0.208349   -0.115363    0.878072   -0.000844   -0.523846    0.391482
O     3.359040    0.119779    1.608835    0.010866    0.015996    0.033500
H     4.013820    0.450717    2.253740   -0.001282   -0.546532    0.409086
H     2.840357   -0.547158    2.089518   -0.244880   -0.252554   -0.532836
O     0.218147    3.447253    1.842567    0.014782    0.013598   -0.001160
H     0.572158    4.106173    2.473512   -0.420196    0.063370    0.238988
H    -0.466487    2.942582    2.326519    0.108584   -0.418298   -0.257158
O     3.594857   -2.986279    1.191421    0.014916    0.014174   -0.001516
H     4.302158   -2.580356    0.650545    0.108874   -0.422332   -0.261318
H     3.142390   -3.633763    0.614628   -0.425862    0.064328    0.241608
O     3.185279    3.384075    1.659506    0.001912   -0.003338   -0.020536
H     3.726261    3.978657    1.107829   -0.180528   -0.178304   -0.424804
H     2.590743    2.924314    1.039435   -0.463154   -0.034514    0.398548
O     0.622737   -2.931484    1.374643    0.002294   -0.003640   -0.020228
H     1.108072   -2.476472    2.091363   -0.498392   -0.020426    0.418892
H     0.042556   -3.568955    1.833392   -0.186232   -0.188886   -0.442162
66
* Frequency(164)  552.5600
Rb    5.171584    5.493443   -3.155342   -0.000256   -0.000090   -0.000524
Rb    5.562001   -1.266956   -3.730124   -0.000220   -0.000204   -0.000256
Rb    5.409020   -1.937863    3.309460   -0.000052    0.000976    0.001200
Rb    4.901168    4.947678    3.659498    0.001542    0.001268    0.003308
Rb    1.957260   -1.348859   -0.695485   -0.002254    0.000830    0.001672
Rb    5.219982    1.853313   -0.106057    0.002804    0.001898   -0.004406
Rb    1.979595    2.349431   -4.303514   -0.000138   -0.000060   -0.000230
Rb    1.844217    1.802088    3.734520   -0.002160    0.000594    0.001618
Rb    1.515012    5.519385    0.064828    0.000462   -0.000148   -0.001150
Rb   -1.599719    2.395472   -0.272105   -0.000166    0.000848    0.001172
Rb   -1.558940    5.687180   -3.359780   -0.000128   -0.000150   -0.000068
Rb   -1.339396   -1.092433   -3.904520   -0.000292   -0.000228    0.000396
Rb   -1.410022   -1.402754    3.144832    0.002762    0.001430   -0.004002
Rb   -1.930591    5.433453    3.450187    0.000232    0.000342    0.000132
Br    5.448780    2.177222   -3.644828    0.000064    0.000098    0.000478
Br    5.986395   -1.504351   -0.295655   -0.000020    0.002054    0.000734
Br    5.547219    1.538927    3.504200   -0.000588    0.001492   -0.001434
Br    5.148542    5.467609    0.214122    0.000246    0.000194    0.001878
Br    1.825498    5.787530   -3.475806    0.000210    0.000004    0.000182
Br    2.117540   -1.148782   -4.166531    0.000316    0.000266   -0.000218
Br    1.988933   -1.689193    3.998582    0.004278    0.002698    0.000096
Br    1.525982    5.680890    3.705590    0.002428   -0.000146   -0.000762
Br   -1.512616    2.349563   -3.859643    0.000280    0.000256   -0.000142
Br   -1.743345   -1.081663   -0.462607   -0.000242    0.001822   -0.001838
Br   -2.169102    1.958725    3.336184    0.000210    0.002246    0.000684
Br   -1.981491    5.880638   -0.008163    0.000156    0.000100   -0.000060
Br    1.822431    2.143420   -0.961506    0.004022    0.002850   -0.000166
Br   -1.826488    5.106706    6.861685    0.000220    0.000102   -0.000116
Rb    1.583525    5.095079    7.138023   -0.000154   -0.000134    0.000172
Br    5.006518    4.955287    7.048694    0.000056   -0.000186   -0.000570
Rb   -1.751166    1.714636    6.770584   -0.000268   -0.000180   -0.000290
Br    1.693744    1.602421    7.204936    0.000370    0.000098   -0.000418
Rb    5.151177    1.548995    6.947517   -0.000236   -0.000164    0.000444
Br   -1.634445   -1.730162    6.684712    0.000334    0.000130    0.000406
Rb    1.837652   -1.897203    7.339991   -0.000138   -0.000132   -0.000120
Br    5.328822   -1.893465    6.897956   -0.000006    0.000378   -0.000330
Rb   -1.349124   -5.047332    6.195105   -0.000236   -0.000098   -0.000568
Br    1.997079   -5.332793    6.508682    0.000256    0.000266    0.000086
Rb    5.381287   -5.231555    6.394776   -0.000134   -0.000134   -0.000064
Br   -1.333129   -5.018403    2.826813    0.000502    0.000228    0.002132
Rb    2.299919   -5.065582    2.967368    0.000504   -0.000374   -0.001134
Br    5.794997   -5.422758    3.042757    0.000018    0.000128   -0.000014
Rb   -1.094452   -4.491917   -0.617450    0.001538    0.001314    0.003424
Br    2.282979   -5.222223   -0.672156    0.002610    0.000186   -0.000670
Rb    5.738765   -4.977312   -0.414130    0.000228    0.000180   -0.000058
Br   -1.197122   -4.498565   -4.008238    0.000152   -0.000082   -0.000550
Rb    2.225399   -4.641102   -4.105136   -0.000154   -0.000196    0.000130
Br    5.636083   -4.658793   -3.825903    0.000210    0.000146   -0.000030
O     0.454382    0.339892    1.439796    0.010626    0.018890    0.030568
H     0.895390    0.914618    0.774266   -0.211654   -0.266820   -0.524704
H    -0.208434   -0.168445    0.917741   -0.000844   -0.523846    0.391482
O     3.360141    0.121400    1.612230    0.010866    0.015996    0.033500
H     4.013690    0.395338    2.295192   -0.001282   -0.546532    0.409086
H     2.815543   -0.572750    2.035526   -0.244880   -0.252554   -0.532836
O     0.219645    3.448631    1.842450    0.014782    0.013598   -0.001160
H     0.529580    4.112594    2.497728   -0.420196    0.063370    0.238988
H    -0.455484    2.900196    2.300462    0.108584   -0.418298   -0.257158
O     3.596369   -2.984843    1.191267    0.014916    0.014174   -0.001516
H     4.313190   -2.623151    0.624065    0.108874   -0.422332   -0.261318
H     3.099238   -3.627245    0.639111   -0.425862    0.064328    0.241608
O     3.185473    3.383736    1.657425    0.001912   -0.003338   -0.020536
H     3.707968    3.960589    1.064784   -0.180528   -0.178304   -0.424804
H     2.543812    2.920816    1.079820   -0.463154   -0.034514    0.398548
O     0.622969   -2.931853    1.372593    0.002294   -0.003640   -0.020228
H     1.057570   -2.478542    2.133809   -0.498392   -0.020426    0.418892
H     0.023685   -3.588095    1.788587   -0.186232   -0.188886   -0.442162
66
* Frequency(164)  552.5600
Rb    5.171564    5.493436   -3.155383   -0.000256   -0.000090   -0.000524
Rb    5.561984   -1.266972   -3.730144   -0.000220   -0.000204   -0.000256
Rb    5.409016   -1.937787    3.309554   -0.000052    0.000976    0.001200
Rb    4.901289    4.947777    3.659756    0.001542    0.001268    0.003308
Rb    1.957085   -1.348794   -0.695354   -0.002254    0.000830    0.001672
Rb    5.220201    1.853461   -0.106401    0.002804    0.001898   -0.004406
Rb    1.979585    2.349426   -4.303532   -0.000138   -0.000060   -0.000230
Rb    1.844048    1.802134    3.734646   -0.002160    0.000594    0.001618
Rb    1.515048    5.519374    0.064738    0.000462   -0.000148   -0.001150
Rb   -1.599732    2.395538   -0.272014   -0.000166    0.000848    0.001172
Rb   -1.558950    5.687168   -3.359785   -0.000128   -0.000150   -0.000068
Rb   -1.339419   -1.092451   -3.904489   -0.000292   -0.000228    0.000396
Rb   -1.409807   -1.402642    3.144519    0.002762    0.001430   -0.004002
Rb   -1.930573    5.433479    3.450198    0.000232    0.000342    0.000132
Br    5.448785    2.177230   -3.644791    0.000064    0.000098    0.000478
Br    5.986393   -1.504191   -0.295598   -0.000020    0.002054    0.000734
Br    5.547173    1.539043    3.504088   -0.000588    0.001492   -0.001434
Br    5.148561    5.467624    0.214268    0.000246    0.000194    0.001878
Br    1.825515    5.787530   -3.475792    0.000210    0.000004    0.000182
Br    2.117565   -1.148761   -4.166548    0.000316    0.000266   -0.000218
Br    1.989266   -1.688982    3.998589    0.004278    0.002698    0.000096
Br    1.526171    5.680878    3.705531    0.002428   -0.000146   -0.000762
Br   -1.512594    2.349583   -3.859654    0.000280    0.000256   -0.000142
Br   -1.743364   -1.081521   -0.462751   -0.000242    0.001822   -0.001838
Br   -2.169085    1.958900    3.336237    0.000210    0.002246    0.000684
Br   -1.981479    5.880646   -0.008168    0.000156    0.000100   -0.000060
Br    1.822744    2.143642   -0.961519    0.004022    0.002850   -0.000166
Br   -1.826471    5.106714    6.861676    0.000220    0.000102   -0.000116
Rb    1.583513    5.095069    7.138036   -0.000154   -0.000134    0.000172
Br    5.006522    4.955273    7.048650    0.000056   -0.000186   -0.000570
Rb   -1.751187    1.714622    6.770561   -0.000268   -0.000180   -0.000290
Br    1.693772    1.602429    7.204904    0.000370    0.000098   -0.000418
Rb    5.151159    1.548982    6.947552   -0.000236   -0.000164    0.000444
Br   -1.634419   -1.730152    6.684744    0.000334    0.000130    0.000406
Rb    1.837642   -1.897214    7.339982   -0.000138   -0.000132   -0.000120
Br    5.328821   -1.893435    6.897930   -0.000006    0.000378   -0.000330
Rb   -1.349142   -5.047340    6.195061   -0.000236   -0.000098   -0.000568
Br    1.997099   -5.332772    6.508689    0.000256    0.000266    0.000086
Rb    5.381277   -5.231565    6.394771   -0.000134   -0.000134   -0.000064
Br   -1.333090   -5.018385    2.826980    0.000502    0.000228    0.002132
Rb    2.299959   -5.065612    2.967280    0.000504   -0.000374   -0.001134
Br    5.794998   -5.422748    3.042756    0.000018    0.000128   -0.000014
Rb   -1.094332   -4.491814   -0.617183    0.001538    0.001314    0.003424
Br    2.283183   -5.222209   -0.672208    0.002610    0.000186   -0.000670
Rb    5.738783   -4.977298   -0.414135    0.000228    0.000180   -0.000058
Br   -1.197110   -4.498571   -4.008281    0.000152   -0.000082   -0.000550
Rb    2.225387   -4.641117   -4.105126   -0.000154   -0.000196    0.000130
Br    5.636100   -4.658781   -3.825906    0.000210    0.000146   -0.000030
O     0.455212    0.341366    1.442182    0.010626    0.018890    0.030568
H     0.878874    0.893797    0.733321   -0.211654   -0.266820   -0.524704
H    -0.208500   -0.209322    0.948289   -0.000844   -0.523846    0.391482
O     3.360989    0.122648    1.614844    0.010866    0.015996    0.033500
H     4.013590    0.352690    2.327115   -0.001282   -0.546532    0.409086
H     2.796434   -0.592457    1.993947   -0.244880   -0.252554   -0.532836
O     0.220798    3.449692    1.842359    0.014782    0.013598   -0.001160
H     0.496790    4.117539    2.516377   -0.420196    0.063370    0.238988
H    -0.447011    2.867554    2.280395    0.108584   -0.418298   -0.257158
O     3.597533   -2.983737    1.191149    0.014916    0.014174   -0.001516
H     4.321686   -2.656107    0.603674    0.108874   -0.422332   -0.261318
H     3.066006   -3.622225    0.657964   -0.425862    0.064328    0.241608
O     3.185622    3.383476    1.655823    0.001912   -0.003338   -0.020536
H     3.693881    3.946675    1.031635   -0.180528   -0.178304   -0.424804
H     2.507670    2.918123    1.110920   -0.463154   -0.034514    0.398548
O     0.623148   -2.932137    1.371015    0.002294   -0.003640   -0.020228
H     1.018679   -2.480136    2.166497   -0.498392   -0.020426    0.418892
H     0.009152   -3.602834    1.754084   -0.186232   -0.188886   -0.442162
66
* Frequency(164)  552.5600
Rb    5.171552    5.493431   -3.155407   -0.000256   -0.000090   -0.000524
Rb    5.561973   -1.266981   -3.730156   -0.000220   -0.000204   -0.000256
Rb    5.409013   -1.937742    3.309609   -0.000052    0.000976    0.001200
Rb    4.901360    4.947835    3.659909    0.001542    0.001268    0.003308
Rb    1.956980   -1.348755   -0.695277   -0.002254    0.000830    0.001672
Rb    5.220330    1.853549   -0.106605    0.002804    0.001898   -0.004406
Rb    1.979578    2.349424   -4.303543   -0.000138   -0.000060   -0.000230
Rb    1.843948    1.802162    3.734721   -0.002160    0.000594    0.001618
Rb    1.515070    5.519367    0.064685    0.000462   -0.000148   -0.001150
Rb   -1.599739    2.395578   -0.271959   -0.000166    0.000848    0.001172
Rb   -1.558955    5.687161   -3.359788   -0.000128   -0.000150   -0.000068
Rb   -1.339432   -1.092461   -3.904471   -0.000292   -0.000228    0.000396
Rb   -1.409679   -1.402576    3.144334    0.002762    0.001430   -0.004002
Rb   -1.930562    5.433495    3.450204    0.000232    0.000342    0.000132
Br    5.448788    2.177234   -3.644769    0.000064    0.000098    0.000478
Br    5.986392   -1.504096   -0.295564   -0.000020    0.002054    0.000734
Br    5.547145    1.539112    3.504021   -0.000588    0.001492   -0.001434
Br    5.148572    5.467633    0.214355    0.000246    0.000194    0.001878
Br    1.825524    5.787530   -3.475783    0.000210    0.000004    0.000182
Br    2.117579   -1.148749   -4.166558    0.000316    0.000266   -0.000218
Br    1.989464   -1.688858    3.998594    0.004278    0.002698    0.000096
Br    1.526284    5.680871    3.705495    0.002428   -0.000146   -0.000762
Br   -1.512581    2.349595   -3.859660    0.000280    0.000256   -0.000142
Br   -1.743375   -1.081437   -0.462836   -0.000242    0.001822   -0.001838
Br   -2.169076    1.959004    3.336269    0.000210    0.002246    0.000684
Br   -1.981472    5.880651   -0.008170    0.000156    0.000100   -0.000060
Br    1.822931    2.143774   -0.961526    0.004022    0.002850   -0.000166
Br   -1.826460    5.106719    6.861671    0.000220    0.000102   -0.000116
Rb    1.583506    5.095063    7.138044   -0.000154   -0.000134    0.000172
Br    5.006525    4.955264    7.048624    0.000056   -0.000186   -0.000570
Rb   -1.751199    1.714614    6.770548   -0.000268   -0.000180   -0.000290
Br    1.693790    1.602433    7.204884    0.000370    0.000098   -0.000418
Rb    5.151148    1.548974    6.947573   -0.000236   -0.000164    0.000444
Br   -1.634404   -1.730146    6.684763    0.000334    0.000130    0.000406
Rb    1.837635   -1.897220    7.339976   -0.000138   -0.000132   -0.000120
Br    5.328821   -1.893418    6.897915   -0.000006    0.000378   -0.000330
Rb   -1.349153   -5.047344    6.195034   -0.000236   -0.000098   -0.000568
Br    1.997111   -5.332760    6.508693    0.000256    0.000266    0.000086
Rb    5.381271   -5.231571    6.394768   -0.000134   -0.000134   -0.000064
Br   -1.333067   -5.018375    2.827078    0.000502    0.000228    0.002132
Rb    2.299982   -5.065629    2.967227    0.000504   -0.000374   -0.001134
Br    5.794999   -5.422743    3.042755    0.000018    0.000128   -0.000014
Rb   -1.094261   -4.491753   -0.617024    0.001538    0.001314    0.003424
Br    2.283304   -5.222200   -0.672239    0.002610    0.000186   -0.000670
Rb    5.738793   -4.977290   -0.414138    0.000228    0.000180   -0.000058
Br   -1.197103   -4.498575   -4.008307    0.000152   -0.000082   -0.000550
Rb    2.225380   -4.641127   -4.105120   -0.000154   -0.000196    0.000130
Br    5.636109   -4.658774   -3.825907    0.000210    0.000146   -0.000030
O     0.455703    0.342240    1.443596    0.010626    0.018890    0.030568
H     0.869078    0.881448    0.709037   -0.211654   -0.266820   -0.524704
H    -0.208539   -0.233567    0.966408   -0.000844   -0.523846    0.391482
O     3.361492    0.123388    1.616394    0.010866    0.015996    0.033500
H     4.013531    0.327395    2.346048   -0.001282   -0.546532    0.409086
H     2.785101   -0.604146    1.969286   -0.244880   -0.252554   -0.532836
O     0.221482    3.450322    1.842305    0.014782    0.013598   -0.001160
H     0.477343    4.120472    2.527438   -0.420196    0.063370    0.238988
H    -0.441986    2.848195    2.268493    0.108584   -0.418298   -0.257158
O     3.598223   -2.983081    1.191079    0.014916    0.014174   -0.001516
H     4.326725   -2.675653    0.591579    0.108874   -0.422332   -0.261318
H     3.046296   -3.619248    0.669146   -0.425862    0.064328    0.241608
O     3.185711    3.383321    1.654872    0.001912   -0.003338   -0.020536
H     3.685526    3.938423    1.011974   -0.180528   -0.178304   -0.424804
H     2.486234    2.916526    1.129365   -0.463154   -0.034514    0.398548
O     0.623254   -2.932305    1.370079    0.002294   -0.003640   -0.020228
H     0.995613   -2.481081    2.185884   -0.498392   -0.020426    0.418892
H     0.000533   -3.611576    1.733620   -0.186232   -0.188886   -0.442162
66
* Frequency(164)  552.5600
Rb    5.171550    5.493431   -3.155412   -0.000256   -0.000090   -0.000524
Rb    5.561971   -1.266983   -3.730158   -0.000220   -0.000204   -0.000256
Rb    5.409013   -1.937733    3.309621   -0.000052    0.000976    0.001200
Rb    4.901375    4.947847    3.659941    0.001542    0.001268    0.003308
Rb    1.956959   -1.348747   -0.695261   -0.002254    0.000830    0.001672
Rb    5.220357    1.853567   -0.106647    0.002804    0.001898   -0.004406
Rb    1.979577    2.349423   -4.303545   -0.000138   -0.000060   -0.000230
Rb    1.843928    1.802167    3.734736   -0.002160    0.000594    0.001618
Rb    1.515074    5.519365    0.064674    0.000462   -0.000148   -0.001150
Rb   -1.599741    2.395586   -0.271948   -0.000166    0.000848    0.001172
Rb   -1.558957    5.687160   -3.359789   -0.000128   -0.000150   -0.000068
Rb   -1.339435   -1.092464   -3.904467   -0.000292   -0.000228    0.000396
Rb   -1.409653   -1.402562    3.144296    0.002762    0.001430   -0.004002
Rb   -1.930560    5.433498    3.450205    0.000232    0.000342    0.000132
Br    5.448788    2.177235   -3.644764    0.000064    0.000098    0.000478
Br    5.986392   -1.504077   -0.295557   -0.000020    0.002054    0.000734
Br    5.547140    1.539126    3.504008   -0.000588    0.001492   -0.001434
Br    5.148575    5.467635    0.214373    0.000246    0.000194    0.001878
Br    1.825526    5.787530   -3.475782    0.000210    0.000004    0.000182
Br    2.117582   -1.148746   -4.166560    0.000316    0.000266   -0.000218
Br    1.989505   -1.688832    3.998594    0.004278    0.002698    0.000096
Br    1.526307    5.680870    3.705488    0.002428   -0.000146   -0.000762
Br   -1.512578    2.349597   -3.859662    0.000280    0.000256   -0.000142
Br   -1.743377   -1.081419   -0.462853   -0.000242    0.001822   -0.001838
Br   -2.169074    1.959025    3.336276    0.000210    0.002246    0.000684
Br   -1.981471    5.880652   -0.008171    0.000156    0.000100   -0.000060
Br    1.822969    2.143801   -0.961528    0.004022    0.002850   -0.000166
Br   -1.826458    5.106720    6.861670    0.000220    0.000102   -0.000116
Rb    1.583504    5.095061    7.138046   -0.000154   -0.000134    0.000172
Br    5.006526    4.955262    7.048618    0.000056   -0.000186   -0.000570
Rb   -1.751201    1.714612    6.770545   -0.000268   -0.000180   -0.000290
Br    1.693793    1.602434    7.204880    0.000370    0.000098   -0.000418
Rb    5.151146    1.548973    6.947577   -0.000236   -0.000164    0.000444
Br   -1.634400   -1.730145    6.684767    0.000334    0.000130    0.000406
Rb    1.837634   -1.897221    7.339975   -0.000138   -0.000132   -0.000120
Br    5.328821   -1.893414    6.897912   -0.000006    0.000378   -0.000330
Rb   -1.349155   -5.047345    6.195029   -0.000236   -0.000098   -0.000568
Br    1.997113   -5.332757    6.508694    0.000256    0.000266    0.000086
Rb    5.381269   -5.231573    6.394768   -0.000134   -0.000134   -0.000064
Br   -1.333062   -5.018372    2.827099    0.000502    0.000228    0.002132
Rb    2.299987   -5.065632    2.967216    0.000504   -0.000374   -0.001134
Br    5.794999   -5.422741    3.042755    0.000018    0.000128   -0.000014
Rb   -1.094247   -4.491741   -0.616992    0.001538    0.001314    0.003424
Br    2.283328   -5.222198   -0.672246    0.002610    0.000186   -0.000670
Rb    5.738796   -4.977288   -0.414138    0.000228    0.000180   -0.000058
Br   -1.197102   -4.498576   -4.008312    0.000152   -0.000082   -0.000550
Rb    2.225378   -4.641128   -4.105119   -0.000154   -0.000196    0.000130
Br    5.636111   -4.658773   -3.825907    0.000210    0.000146   -0.000030
O     0.455804    0.342420    1.443887    0.010626    0.018890    0.030568
H     0.867064    0.878909    0.704045   -0.211654   -0.266820   -0.524704
H    -0.208547   -0.238551    0.970133   -0.000844   -0.523846    0.391482
O     3.361595    0.123540    1.616713    0.010866    0.015996    0.033500
H     4.013519    0.322195    2.349940   -0.001282   -0.546532    0.409086
H     2.782771   -0.606549    1.964216   -0.244880   -0.252554   -0.532836
O     0.221623    3.450451    1.842294    0.014782    0.013598   -0.001160
H     0.473345    4.121075    2.529712   -0.420196    0.063370    0.238988
H    -0.440952    2.844215    2.266046    0.108584   -0.418298   -0.257158
O     3.598365   -2.982946    1.191064    0.014916    0.014174   -0.001516
H     4.327761   -2.679671    0.589093    0.108874   -0.422332   -0.261318
H     3.042244   -3.618636    0.671445   -0.425862    0.064328    0.241608
O     3.185729    3.383290    1.654677    0.001912   -0.003338   -0.020536
H     3.683808    3.936727    1.007932   -0.180528   -0.178304   -0.424804
H     2.481828    2.916197    1.133157   -0.463154   -0.034514    0.398548
O     0.623276   -2.932340    1.369886    0.002294   -0.003640   -0.020228
H     0.990871   -2.481276    2.189869   -0.498392   -0.020426    0.418892
H    -0.001239   -3.613373    1.729413   -0.186232   -0.188886   -0.442162
66
* Frequency(164)  552.5600
Rb    5.171557    5.493433   -3.155397   -0.000256   -0.000090   -0.000524
Rb    5.561977   -1.266977   -3.730151   -0.000220   -0.000204   -0.000256
Rb    5.409014   -1.937760    3.309587   -0.000052    0.000976    0.001200
Rb    4.901331    4.947811    3.659847    0.001542    0.001268    0.003308
Rb    1.957023   -1.348771   -0.695308   -0.002254    0.000830    0.001672
Rb    5.220278    1.853513   -0.106522    0.002804    0.001898   -0.004406
Rb    1.979581    2.349425   -4.303539   -0.000138   -0.000060   -0.000230
Rb    1.843989    1.802150    3.734691   -0.002160    0.000594    0.001618
Rb    1.515061    5.519370    0.064706    0.000462   -0.000148   -0.001150
Rb   -1.599736    2.395562   -0.271981   -0.000166    0.000848    0.001172
Rb   -1.558953    5.687164   -3.359787   -0.000128   -0.000150   -0.000068
Rb   -1.339427   -1.092457   -3.904478   -0.000292   -0.000228    0.000396
Rb   -1.409731   -1.402603    3.144409    0.002762    0.001430   -0.004002
Rb   -1.930567    5.433489    3.450201    0.000232    0.000342    0.000132
Br    5.448787    2.177232   -3.644778    0.000064    0.000098    0.000478
Br    5.986393   -1.504135   -0.295578   -0.000020    0.002054    0.000734
Br    5.547157    1.539084    3.504048   -0.000588    0.001492   -0.001434
Br    5.148568    5.467629    0.214320    0.000246    0.000194    0.001878
Br    1.825520    5.787530   -3.475787    0.000210    0.000004    0.000182
Br    2.117573   -1.148754   -4.166554    0.000316    0.000266   -0.000218
Br    1.989384   -1.688908    3.998592    0.004278    0.002698    0.000096
Br    1.526238    5.680874    3.705510    0.002428   -0.000146   -0.000762
Br   -1.512586    2.349590   -3.859658    0.000280    0.000256   -0.000142
Br   -1.743371   -1.081471   -0.462801   -0.000242    0.001822   -0.001838
Br   -2.169080    1.958962    3.336256    0.000210    0.002246    0.000684
Br   -1.981475    5.880649   -0.008169    0.000156    0.000100   -0.000060
Br    1.822855    2.143720   -0.961523    0.004022    0.002850   -0.000166
Br   -1.826464    5.106717    6.861673    0.000220    0.000102   -0.000116
Rb    1.583509    5.095065    7.138041   -0.000154   -0.000134    0.000172
Br    5.006524    4.955267    7.048634    0.000056   -0.000186   -0.000570
Rb   -1.751194    1.714617    6.770553   -0.000268   -0.000180   -0.000290
Br    1.693783    1.602431    7.204892    0.000370    0.000098   -0.000418
Rb    5.151152    1.548977    6.947564   -0.000236   -0.000164    0.000444
Br   -1.634410   -1.730148    6.684755    0.000334    0.000130    0.000406
Rb    1.837638   -1.897217    7.339979   -0.000138   -0.000132   -0.000120
Br    5.328821   -1.893425    6.897921   -0.000006    0.000378   -0.000330
Rb   -1.349149   -5.047342    6.195045   -0.000236   -0.000098   -0.000568
Br    1.997106   -5.332765    6.508692    0.000256    0.000266    0.000086
Rb    5.381273   -5.231569    6.394769   -0.000134   -0.000134   -0.000064
Br   -1.333076   -5.018379    2.827038    0.000502    0.000228    0.002132
Rb    2.299973   -5.065622    2.967249    0.000504   -0.000374   -0.001134
Br    5.794999   -5.422745    3.042756    0.000018    0.000128   -0.000014
Rb   -1.094290   -4.491778   -0.617089    0.001538    0.001314    0.003424
Br    2.283255   -5.222203   -0.672227    0.002610    0.000186   -0.000670
Rb    5.738789   -4.977293   -0.414137    0.000228    0.000180   -0.000058
Br   -1.197106   -4.498573   -4.008296    0.000152   -0.000082   -0.000550
Rb    2.225383   -4.641123   -4.105122   -0.000154   -0.000196    0.000130
Br    5.636105   -4.658777   -3.825907    0.000210    0.000146   -0.000030
O     0.455504    0.341886    1.443023    0.010626    0.018890    0.030568
H     0.873051    0.886456    0.718886   -0.211654   -0.266820   -0.524704
H    -0.208524   -0.223734    0.959060   -0.000844   -0.523846    0.391482
O     3.361288    0.123088    1.615765    0.010866    0.015996    0.033500
H     4.013555    0.337653    2.338370   -0.001282   -0.546532    0.409086
H     2.789697   -0.599406    1.979287   -0.244880   -0.252554   -0.532836
O     0.221205    3.450066    1.842327    0.014782    0.013598   -0.001160
H     0.485229    4.119282    2.522953   -0.420196    0.063370    0.238988
H    -0.444024    2.856046    2.273320    0.108584   -0.418298   -0.257158
O     3.597943   -2.983347    1.191107    0.014916    0.014174   -0.001516
H     4.324681   -2.667726    0.596484    0.108874   -0.422332   -0.261318
H     3.054289   -3.620456    0.664611   -0.425862    0.064328    0.241608
O     3.185675    3.383384    1.655258    0.001912   -0.003338   -0.020536
H     3.688914    3.941770    1.019948   -0.180528   -0.178304   -0.424804
H     2.494928    2.917174    1.121885   -0.463154   -0.034514    0.398548
O     0.623211   -2.932237    1.370459    0.002294   -0.003640   -0.020228
H     1.004967   -2.480698    2.178022   -0.498392   -0.020426    0.418892
H     0.004029   -3.608031    1.741919   -0.186232   -0.188886   -0.442162
66
* Frequency(164)  552.5600
Rb    5.171573    5.493439   -3.155364   -0.000256   -0.000090   -0.000524
Rb    5.561991   -1.266965   -3.730135   -0.000220   -0.000204   -0.000256
Rb    5.409018   -1.937822    3.309511   -0.000052    0.000976    0.001200
Rb    4.901234    4.947732    3.659639    0.001542    0.001268    0.003308
Rb    1.957165   -1.348823   -0.695413   -0.002254    0.000830    0.001672
Rb    5.220101    1.853394   -0.106245    0.002804    0.001898   -0.004406
Rb    1.979589    2.349429   -4.303524   -0.000138   -0.000060   -0.000230
Rb    1.844125    1.802113    3.734589   -0.002160    0.000594    0.001618
Rb    1.515032    5.519379    0.064779    0.000462   -0.000148   -0.001150
Rb   -1.599726    2.395508   -0.272055   -0.000166    0.000848    0.001172
Rb   -1.558945    5.687173   -3.359783   -0.000128   -0.000150   -0.000068
Rb   -1.339408   -1.092443   -3.904503   -0.000292   -0.000228    0.000396
Rb   -1.409905   -1.402693    3.144661    0.002762    0.001430   -0.004002
Rb   -1.930581    5.433467    3.450193    0.000232    0.000342    0.000132
Br    5.448782    2.177226   -3.644808    0.000064    0.000098    0.000478
Br    5.986394   -1.504264   -0.295624   -0.000020    0.002054    0.000734
Br    5.547194    1.538990    3.504139   -0.000588    0.001492   -0.001434
Br    5.148552    5.467617    0.214202    0.000246    0.000194    0.001878
Br    1.825507    5.787530   -3.475798    0.000210    0.000004    0.000182
Br    2.117553   -1.148771   -4.166540    0.000316    0.000266   -0.000218
Br    1.989115   -1.689078    3.998586    0.004278    0.002698    0.000096
Br    1.526085    5.680883    3.705558    0.002428   -0.000146   -0.000762
Br   -1.512604    2.349574   -3.859649    0.000280    0.000256   -0.000142
Br   -1.743355   -1.081586   -0.462685   -0.000242    0.001822   -0.001838
Br   -2.169093    1.958820    3.336213    0.000210    0.002246    0.000684
Br   -1.981485    5.880643   -0.008165    0.000156    0.000100   -0.000060
Br    1.822602    2.143541   -0.961513    0.004022    0.002850   -0.000166
Br   -1.826478    5.106710    6.861680    0.000220    0.000102   -0.000116
Rb    1.583518    5.095073    7.138030   -0.000154   -0.000134    0.000172
Br    5.006520    4.955279    7.048670    0.000056   -0.000186   -0.000570
Rb   -1.751177    1.714629    6.770571   -0.000268   -0.000180   -0.000290
Br    1.693759    1.602425    7.204918    0.000370    0.000098   -0.000418
Rb    5.151167    1.548988    6.947536   -0.000236   -0.000164    0.000444
Br   -1.634431   -1.730157    6.684730    0.000334    0.000130    0.000406
Rb    1.837646   -1.897209    7.339986   -0.000138   -0.000132   -0.000120
Br    5.328821   -1.893449    6.897942   -0.000006    0.000378   -0.000330
Rb   -1.349134   -5.047336    6.195081   -0.000236   -0.000098   -0.000568
Br    1.997090   -5.332782    6.508686    0.000256    0.000266    0.000086
Rb    5.381281   -5.231561    6.394774   -0.000134   -0.000134   -0.000064
Br   -1.333108   -5.018393    2.826904    0.000502    0.000228    0.002132
Rb    2.299941   -5.065598    2.967320    0.000504   -0.000374   -0.001134
Br    5.794998   -5.422753    3.042756    0.000018    0.000128   -0.000014
Rb   -1.094387   -4.491861   -0.617304    0.001538    0.001314    0.003424
Br    2.283090   -5.222215   -0.672185    0.002610    0.000186   -0.000670
Rb    5.738775   -4.977305   -0.414133    0.000228    0.000180   -0.000058
Br   -1.197116   -4.498568   -4.008262    0.000152   -0.000082   -0.000550
Rb    2.225392   -4.641110   -4.105131   -0.000154   -0.000196    0.000130
Br    5.636092   -4.658786   -3.825905    0.000210    0.000146   -0.000030
O     0.454834    0.340695    1.441096    0.010626    0.018890    0.030568
H     0.886388    0.903270    0.751951   -0.211654   -0.266820   -0.524704
H    -0.208470   -0.190723    0.934390   -0.000844   -0.523846    0.391482
O     3.360603    0.122080    1.613654    0.010866    0.015996    0.033500
H     4.013636    0.372094    2.312590   -0.001282   -0.546532    0.409086
H     2.805129   -0.583491    2.012865   -0.244880   -0.252554   -0.532836
O     0.220273    3.449210    1.842400    0.014782    0.013598   -0.001160
H     0.511709    4.115289    2.507892   -0.420196    0.063370    0.238988
H    -0.450866    2.882406    2.289525    0.108584   -0.418298   -0.257158
O     3.597003   -2.984240    1.191203    0.014916    0.014174   -0.001516
H     4.317820   -2.641112    0.612952    0.108874   -0.422332   -0.261318
H     3.081126   -3.624509    0.649386   -0.425862    0.064328    0.241608
O     3.185554    3.383594    1.656552    0.001912   -0.003338   -0.020536
H     3.700290    3.953006    1.046718   -0.180528   -0.178304   -0.424804
H     2.524114    2.919349    1.096769   -0.463154   -0.034514    0.398548
O     0.623067   -2.932007    1.371733    0.002294   -0.003640   -0.020228
H     1.036374   -2.479411    2.151624   -0.498392   -0.020426    0.418892
H     0.015765   -3.596128    1.769783   -0.186232   -0.188886   -0.442162
66
* Frequency(164)  552.5600
Rb    5.171596    5.493447   -3.155316   -0.000256   -0.000090   -0.000524
Rb    5.562011   -1.266946   -3.730112   -0.000220   -0.000204   -0.000256
Rb    5.409022   -1.937910    3.309402   -0.000052    0.000976    0.001200
Rb    4.901094    4.947616    3.659338    0.001542    0.001268    0.003308
Rb    1.957370   -1.348899   -0.695565   -0.002254    0.000830    0.001672
Rb    5.219846    1.853221   -0.105844    0.002804    0.001898   -0.004406
Rb    1.979602    2.349434   -4.303503   -0.000138   -0.000060   -0.000230
Rb    1.844321    1.802059    3.734442   -0.002160    0.000594    0.001618
Rb    1.514990    5.519392    0.064883    0.000462   -0.000148   -0.001150
Rb   -1.599711    2.395431   -0.272162   -0.000166    0.000848    0.001172
Rb   -1.558933    5.687187   -3.359776   -0.000128   -0.000150   -0.000068
Rb   -1.339382   -1.092422   -3.904539   -0.000292   -0.000228    0.000396
Rb   -1.410156   -1.402823    3.145025    0.002762    0.001430   -0.004002
Rb   -1.930602    5.433436    3.450181    0.000232    0.000342    0.000132
Br    5.448777    2.177217   -3.644851    0.000064    0.000098    0.000478
Br    5.986396   -1.504451   -0.295691   -0.000020    0.002054    0.000734
Br    5.547247    1.538855    3.504269   -0.000588    0.001492   -0.001434
Br    5.148530    5.467599    0.214031    0.000246    0.000194    0.001878
Br    1.825488    5.787530   -3.475815    0.000210    0.000004    0.000182
Br    2.117525   -1.148795   -4.166520    0.000316    0.000266   -0.000218
Br    1.988726   -1.689324    3.998577    0.004278    0.002698    0.000096
Br    1.525864    5.680897    3.705627    0.002428   -0.000146   -0.000762
Br   -1.512629    2.349551   -3.859636    0.000280    0.000256   -0.000142
Br   -1.743333   -1.081751   -0.462518   -0.000242    0.001822   -0.001838
Br   -2.169112    1.958616    3.336151    0.000210    0.002246    0.000684
Br   -1.981499    5.880634   -0.008160    0.000156    0.000100   -0.000060
Br    1.822236    2.143282   -0.961498    0.004022    0.002850   -0.000166
Br   -1.826498    5.106701    6.861691    0.000220    0.000102   -0.000116
Rb    1.583532    5.095086    7.138015   -0.000154   -0.000134    0.000172
Br    5.006515    4.955296    7.048722    0.000056   -0.000186   -0.000570
Rb   -1.751153    1.714645    6.770598   -0.000268   -0.000180   -0.000290
Br    1.693726    1.602416    7.204956    0.000370    0.000098   -0.000418
Rb    5.151189    1.549003    6.947496   -0.000236   -0.000164    0.000444
Br   -1.634461   -1.730168    6.684693    0.000334    0.000130    0.000406
Rb    1.837659   -1.897197    7.339997   -0.000138   -0.000132   -0.000120
Br    5.328822   -1.893483    6.897972   -0.000006    0.000378   -0.000330
Rb   -1.349112   -5.047327    6.195132   -0.000236   -0.000098   -0.000568
Br    1.997067   -5.332806    6.508678    0.000256    0.000266    0.000086
Rb    5.381294   -5.231548    6.394779   -0.000134   -0.000134   -0.000064
Br   -1.333153   -5.018414    2.826710    0.000502    0.000228    0.002132
Rb    2.299895   -5.065564    2.967423    0.000504   -0.000374   -0.001134
Br    5.794996   -5.422765    3.042758    0.000018    0.000128   -0.000014
Rb   -1.094527   -4.491980   -0.617616    0.001538    0.001314    0.003424
Br    2.282853   -5.222232   -0.672124    0.002610    0.000186   -0.000670
Rb    5.738754   -4.977321   -0.414128    0.000228    0.000180   -0.000058
Br   -1.197130   -4.498561   -4.008212    0.000152   -0.000082   -0.000550
Rb    2.225406   -4.641093   -4.105142   -0.000154   -0.000196    0.000130
Br    5.636073   -4.658800   -3.825902    0.000210    0.000146   -0.000030
O     0.453868    0.338978    1.438317    0.010626    0.018890    0.030568
H     0.905632    0.927530    0.799658   -0.211654   -0.266820   -0.524704
H    -0.208394   -0.143094    0.898796   -0.000844   -0.523846    0.391482
O     3.359615    0.120626    1.610608    0.010866    0.015996    0.033500
H     4.013752    0.421786    2.275395   -0.001282   -0.546532    0.409086
H     2.827394   -0.560528    2.061311   -0.244880   -0.252554   -0.532836
O     0.218929    3.447973    1.842506    0.014782    0.013598   -0.001160
H     0.549914    4.109527    2.486163   -0.420196    0.063370    0.238988
H    -0.460739    2.920438    2.312906    0.108584   -0.418298   -0.257158
O     3.595647   -2.985529    1.191340    0.014916    0.014174   -0.001516
H     4.307921   -2.602713    0.636711    0.108874   -0.422332   -0.261318
H     3.119846   -3.630358    0.627418   -0.425862    0.064328    0.241608
O     3.185381    3.383898    1.658419    0.001912   -0.003338   -0.020536
H     3.716704    3.969218    1.085341   -0.180528   -0.178304   -0.424804
H     2.566225    2.922487    1.060533   -0.463154   -0.034514    0.398548
O     0.622858   -2.931676    1.373572    0.002294   -0.003640   -0.020228
H     1.081689   -2.477554    2.113538   -0.498392   -0.020426    0.418892
H     0.032697   -3.578954    1.809985   -0.186232   -0.188886   -0.442162
66
* Frequency(164)  552.5600
Rb    5.171624    5.493457   -3.155259   -0.000256   -0.000090   -0.000524
Rb    5.562035   -1.266924   -3.730084   -0.000220   -0.000204   -0.000256
Rb    5.409028   -1.938017    3.309271   -0.000052    0.000976    0.001200
Rb    4.900926    4.947478    3.658978    0.001542    0.001268    0.003308
Rb    1.957615   -1.348989   -0.695748   -0.002254    0.000830    0.001672
Rb    5.219541    1.853014   -0.105364    0.002804    0.001898   -0.004406
Rb    1.979617    2.349441   -4.303478   -0.000138   -0.000060   -0.000230
Rb    1.844557    1.801994    3.734265   -0.002160    0.000594    0.001618
Rb    1.514940    5.519408    0.065009    0.000462   -0.000148   -0.001150
Rb   -1.599693    2.395339   -0.272289   -0.000166    0.000848    0.001172
Rb   -1.558919    5.687203   -3.359769   -0.000128   -0.000150   -0.000068
Rb   -1.339350   -1.092397   -3.904582   -0.000292   -0.000228    0.000396
Rb   -1.410457   -1.402979    3.145461    0.002762    0.001430   -0.004002
Rb   -1.930628    5.433399    3.450167    0.000232    0.000342    0.000132
Br    5.448770    2.177207   -3.644903    0.000064    0.000098    0.000478
Br    5.986398   -1.504675   -0.295771   -0.000020    0.002054    0.000734
Br    5.547311    1.538692    3.504425   -0.000588    0.001492   -0.001434
Br    5.148503    5.467578    0.213826    0.000246    0.000194    0.001878
Br    1.825465    5.787529   -3.475835    0.000210    0.000004    0.000182
Br    2.117490   -1.148824   -4.166497    0.000316    0.000266   -0.000218
Br    1.988259   -1.689618    3.998567    0.004278    0.002698    0.000096
Br    1.525600    5.680913    3.705710    0.002428   -0.000146   -0.000762
Br   -1.512660    2.349523   -3.859620    0.000280    0.000256   -0.000142
Br   -1.743307   -1.081950   -0.462318   -0.000242    0.001822   -0.001838
Br   -2.169135    1.958371    3.336076    0.000210    0.002246    0.000684
Br   -1.981516    5.880623   -0.008153    0.000156    0.000100   -0.000060
Br    1.821798    2.142971   -0.961480    0.004022    0.002850   -0.000166
Br   -1.826522    5.106690    6.861703    0.000220    0.000102   -0.000116
Rb    1.583549    5.095100    7.137996   -0.000154   -0.000134    0.000172
Br    5.006509    4.955316    7.048784    0.000056   -0.000186   -0.000570
Rb   -1.751123    1.714665    6.770629   -0.000268   -0.000180   -0.000290
Br    1.693685    1.602406    7.205002    0.000370    0.000098   -0.000418
Rb    5.151214    1.549021    6.947448   -0.000236   -0.000164    0.000444
Br   -1.634498   -1.730183    6.684648    0.000334    0.000130    0.000406
Rb    1.837674   -1.897183    7.340010   -0.000138   -0.000132   -0.000120
Br    5.328823   -1.893524    6.898008   -0.000006    0.000378   -0.000330
Rb   -1.349087   -5.047317    6.195194   -0.000236   -0.000098   -0.000568
Br    1.997039   -5.332835    6.508669    0.000256    0.000266    0.000086
Rb    5.381308   -5.231534    6.394786   -0.000134   -0.000134   -0.000064
Br   -1.333208   -5.018439    2.826478    0.000502    0.000228    0.002132
Rb    2.299840   -5.065524    2.967547    0.000504   -0.000374   -0.001134
Br    5.794994   -5.422779    3.042759    0.000018    0.000128   -0.000014
Rb   -1.094694   -4.492123   -0.617989    0.001538    0.001314    0.003424
Br    2.282568   -5.222252   -0.672051    0.002610    0.000186   -0.000670
Rb    5.738729   -4.977341   -0.414121    0.000228    0.000180   -0.000058
Br   -1.197146   -4.498552   -4.008152    0.000152   -0.000082   -0.000550
Rb    2.225423   -4.641071   -4.105157   -0.000154   -0.000196    0.000130
Br    5.636050   -4.658816   -3.825899    0.000210    0.000146   -0.000030
O     0.452710    0.336919    1.434986    0.010626    0.018890    0.030568
H     0.928697    0.956606    0.856837   -0.211654   -0.266820   -0.524704
H    -0.208302   -0.086009    0.856135   -0.000844   -0.523846    0.391482
O     3.358431    0.118882    1.606958    0.010866    0.015996    0.033500
H     4.013892    0.481343    2.230816   -0.001282   -0.546532    0.409086
H     2.854079   -0.533006    2.119376   -0.244880   -0.252554   -0.532836
O     0.217319    3.446491    1.842632    0.014782    0.013598   -0.001160
H     0.595704    4.102622    2.460120   -0.420196    0.063370    0.238988
H    -0.472572    2.966022    2.340930    0.108584   -0.418298   -0.257158
O     3.594021   -2.987073    1.191506    0.014916    0.014174   -0.001516
H     4.296057   -2.556690    0.665188    0.108874   -0.422332   -0.261318
H     3.166254   -3.637368    0.601090   -0.425862    0.064328    0.241608
O     3.185172    3.384262    1.660657    0.001912   -0.003338   -0.020536
H     3.736377    3.988648    1.131634   -0.180528   -0.178304   -0.424804
H     2.616697    2.926248    1.017102   -0.463154   -0.034514    0.398548
O     0.622608   -2.931280    1.375777    0.002294   -0.003640   -0.020228
H     1.136001   -2.475328    2.067890   -0.498392   -0.020426    0.418892
H     0.052992   -3.558370    1.858169   -0.186232   -0.188886   -0.442162
66
* Frequency(164)  552.5600
Rb    5.171654    5.493467   -3.155199   -0.000256   -0.000090   -0.000524
Rb    5.562061   -1.266900   -3.730054   -0.000220   -0.000204   -0.000256
Rb    5.409034   -1.938129    3.309133   -0.000052    0.000976    0.001200
Rb    4.900748    4.947332    3.658596    0.001542    0.001268    0.003308
Rb    1.957875   -1.349085   -0.695940   -0.002254    0.000830    0.001672
Rb    5.219217    1.852796   -0.104856    0.002804    0.001898   -0.004406
Rb    1.979633    2.349447   -4.303452   -0.000138   -0.000060   -0.000230
Rb    1.844805    1.801926    3.734079   -0.002160    0.000594    0.001618
Rb    1.514886    5.519426    0.065141    0.000462   -0.000148   -0.001150
Rb   -1.599673    2.395241   -0.272425   -0.000166    0.000848    0.001172
Rb   -1.558905    5.687221   -3.359761   -0.000128   -0.000150   -0.000068
Rb   -1.339316   -1.092371   -3.904628   -0.000292   -0.000228    0.000396
Rb   -1.410775   -1.403143    3.145923    0.002762    0.001430   -0.004002
Rb   -1.930654    5.433359    3.450151    0.000232    0.000342    0.000132
Br    5.448762    2.177195   -3.644959    0.000064    0.000098    0.000478
Br    5.986400   -1.504911   -0.295855   -0.000020    0.002054    0.000734
Br    5.547379    1.538520    3.504591   -0.000588    0.001492   -0.001434
Br    5.148475    5.467556    0.213610    0.000246    0.000194    0.001878
Br    1.825441    5.787529   -3.475855    0.000210    0.000004    0.000182
Br    2.117454   -1.148854   -4.166471    0.000316    0.000266   -0.000218
Br    1.987767   -1.689928    3.998555    0.004278    0.002698    0.000096
Br    1.525320    5.680929    3.705798    0.002428   -0.000146   -0.000762
Br   -1.512692    2.349493   -3.859604    0.000280    0.000256   -0.000142
Br   -1.743279   -1.082160   -0.462106   -0.000242    0.001822   -0.001838
Br   -2.169159    1.958113    3.335998    0.000210    0.002246    0.000684
Br   -1.981534    5.880611   -0.008147    0.000156    0.000100   -0.000060
Br    1.821334    2.142643   -0.961460    0.004022    0.002850   -0.000166
Br   -1.826548    5.106678    6.861717    0.000220    0.000102   -0.000116
Rb    1.583567    5.095116    7.137976   -0.000154   -0.000134    0.000172
Br    5.006503    4.955338    7.048850    0.000056   -0.000186   -0.000570
Rb   -1.751093    1.714685    6.770663   -0.000268   -0.000180   -0.000290
Br    1.693643    1.602394    7.205050    0.000370    0.000098   -0.000418
Rb    5.151242    1.549039    6.947396   -0.000236   -0.000164    0.000444
Br   -1.634536   -1.730197    6.684602    0.000334    0.000130    0.000406
Rb    1.837690   -1.897167    7.340024   -0.000138   -0.000132   -0.000120
Br    5.328823   -1.893568    6.898046   -0.000006    0.000378   -0.000330
Rb   -1.349059   -5.047305    6.195260   -0.000236   -0.000098   -0.000568
Br    1.997009   -5.332865    6.508659    0.000256    0.000266    0.000086
Rb    5.381324   -5.231518    6.394794   -0.000134   -0.000134   -0.000064
Br   -1.333266   -5.018465    2.826232    0.000502    0.000228    0.002132
Rb    2.299782   -5.065480    2.967677    0.000504   -0.000374   -0.001134
Br    5.794992   -5.422793    3.042761    0.000018    0.000128   -0.000014
Rb   -1.094872   -4.492275   -0.618383    0.001538    0.001314    0.003424
Br    2.282268   -5.222274   -0.671973    0.002610    0.000186   -0.000670
Rb    5.738703   -4.977361   -0.414115    0.000228    0.000180   -0.000058
Br   -1.197164   -4.498542   -4.008088    0.000152   -0.000082   -0.000550
Rb    2.225441   -4.641049   -4.105171   -0.000154   -0.000196    0.000130
Br    5.636026   -4.658832   -3.825895    0.000210    0.000146   -0.000030
O     0.451486    0.334743    1.431464    0.010626    0.018890    0.030568
H     0.953083    0.987348    0.917291   -0.211654   -0.266820   -0.524704
H    -0.208204   -0.025653    0.811029   -0.000844   -0.523846    0.391482
O     3.357179    0.117040    1.603098    0.010866    0.015996    0.033500
H     4.014040    0.544313    2.183682   -0.001282   -0.546532    0.409086
H     2.882293   -0.503908    2.180768   -0.244880   -0.252554   -0.532836
O     0.215615    3.444925    1.842766    0.014782    0.013598   -0.001160
H     0.644118    4.095320    2.432584   -0.420196    0.063370    0.238988
H    -0.485082    3.014216    2.370558    0.108584   -0.418298   -0.257158
O     3.592303   -2.988707    1.191680    0.014916    0.014174   -0.001516
H     4.283513   -2.508030    0.695296    0.108874   -0.422332   -0.261318
H     3.215320   -3.644780    0.573252   -0.425862    0.064328    0.241608
O     3.184952    3.384646    1.663023    0.001912   -0.003338   -0.020536
H     3.757177    4.009192    1.180578   -0.180528   -0.178304   -0.424804
H     2.670059    2.930224    0.971182   -0.463154   -0.034514    0.398548
O     0.622344   -2.930860    1.378107    0.002294   -0.003640   -0.020228
H     1.193423   -2.472974    2.019626   -0.498392   -0.020426    0.418892
H     0.074448   -3.536608    1.909113   -0.186232   -0.188886   -0.442162
66
* Frequency(164)  552.5600
Rb    5.171682    5.493477   -3.155142   -0.000256   -0.000090   -0.000524
Rb    5.562085   -1.266878   -3.730026   -0.000220   -0.000204   -0.000256
Rb    5.409040   -1.938236    3.309002   -0.000052    0.000976    0.001200
Rb    4.900580    4.947194    3.658236    0.001542    0.001268    0.003308
Rb    1.958120   -1.349175   -0.696123   -0.002254    0.000830    0.001672
Rb    5.218912    1.852589   -0.104376    0.002804    0.001898   -0.004406
Rb    1.979648    2.349454   -4.303427   -0.000138   -0.000060   -0.000230
Rb    1.845041    1.801861    3.733902   -0.002160    0.000594    0.001618
Rb    1.514836    5.519442    0.065267    0.000462   -0.000148   -0.001150
Rb   -1.599655    2.395149   -0.272552   -0.000166    0.000848    0.001172
Rb   -1.558891    5.687237   -3.359754   -0.000128   -0.000150   -0.000068
Rb   -1.339284   -1.092346   -3.904671   -0.000292   -0.000228    0.000396
Rb   -1.411076   -1.403299    3.146359    0.002762    0.001430   -0.004002
Rb   -1.930680    5.433322    3.450137    0.000232    0.000342    0.000132
Br    5.448755    2.177185   -3.645011    0.000064    0.000098    0.000478
Br    5.986402   -1.505135   -0.295935   -0.000020    0.002054    0.000734
Br    5.547443    1.538357    3.504747   -0.000588    0.001492   -0.001434
Br    5.148448    5.467535    0.213405    0.000246    0.000194    0.001878
Br    1.825418    5.787528   -3.475875    0.000210    0.000004    0.000182
Br    2.117419   -1.148883   -4.166448    0.000316    0.000266   -0.000218
Br    1.987300   -1.690222    3.998545    0.004278    0.002698    0.000096
Br    1.525056    5.680945    3.705881    0.002428   -0.000146   -0.000762
Br   -1.512723    2.349465   -3.859588    0.000280    0.000256   -0.000142
Br   -1.743253   -1.082359   -0.461906   -0.000242    0.001822   -0.001838
Br   -2.169182    1.957868    3.335923    0.000210    0.002246    0.000684
Br   -1.981551    5.880600   -0.008140    0.000156    0.000100   -0.000060
Br    1.820896    2.142332   -0.961442    0.004022    0.002850   -0.000166
Br   -1.826572    5.106667    6.861729    0.000220    0.000102   -0.000116
Rb    1.583584    5.095130    7.137957   -0.000154   -0.000134    0.000172
Br    5.006497    4.955358    7.048912    0.000056   -0.000186   -0.000570
Rb   -1.751063    1.714705    6.770694   -0.000268   -0.000180   -0.000290
Br    1.693602    1.602384    7.205096    0.000370    0.000098   -0.000418
Rb    5.151267    1.549057    6.947348   -0.000236   -0.000164    0.000444
Br   -1.634573   -1.730212    6.684557    0.000334    0.000130    0.000406
Rb    1.837705   -1.897153    7.340037   -0.000138   -0.000132   -0.000120
Br    5.328824   -1.893609    6.898082   -0.000006    0.000378   -0.000330
Rb   -1.349034   -5.047295    6.195322   -0.000236   -0.000098   -0.000568
Br    1.996981   -5.332894    6.508650    0.000256    0.000266    0.000086
Rb    5.381338   -5.231504    6.394801   -0.000134   -0.000134   -0.000064
Br   -1.333321   -5.018490    2.826000    0.000502    0.000228    0.002132
Rb    2.299727   -5.065440    2.967801    0.000504   -0.000374   -0.001134
Br    5.794990   -5.422807    3.042762    0.000018    0.000128   -0.000014
Rb   -1.095039   -4.492418   -0.618756    0.001538    0.001314    0.003424
Br    2.281983   -5.222294   -0.671900    0.002610    0.000186   -0.000670
Rb    5.738678   -4.977381   -0.414108    0.000228    0.000180   -0.000058
Br   -1.197180   -4.498533   -4.008028    0.000152   -0.000082   -0.000550
Rb    2.225458   -4.641027   -4.105186   -0.000154   -0.000196    0.000130
Br    5.636003   -4.658848   -3.825892    0.000210    0.000146   -0.000030
O     0.450328    0.332684    1.428133    0.010626    0.018890    0.030568
H     0.976148    1.016424    0.974470   -0.211654   -0.266820   -0.524704
H    -0.208112    0.031432    0.768368   -0.000844   -0.523846    0.391482
O     3.355995    0.115296    1.599448    0.010866    0.015996    0.033500
H     4.014180    0.603870    2.139103   -0.001282   -0.546532    0.409086
H     2.908978   -0.476386    2.238833   -0.244880   -0.252554   -0.532836
O     0.214005    3.443443    1.842892    0.014782    0.013598   -0.001160
H     0.689908    4.088415    2.406541   -0.420196    0.063370    0.238988
H    -0.496915    3.059800    2.398582    0.108584   -0.418298   -0.257158
O     3.590677   -2.990251    1.191846    0.014916    0.014174   -0.001516
H     4.271649   -2.462007    0.723773    0.108874   -0.422332   -0.261318
H     3.261728   -3.651790    0.546924   -0.425862    0.064328    0.241608
O     3.184743    3.385010    1.665261    0.001912   -0.003338   -0.020536
H     3.776850    4.028622    1.226871   -0.180528   -0.178304   -0.424804
H     2.720531    2.933985    0.927751   -0.463154   -0.034514    0.398548
O     0.622094   -2.930464    1.380312    0.002294   -0.003640   -0.020228
H     1.247735   -2.470748    1.973978   -0.498392   -0.020426    0.418892
H     0.094743   -3.516024    1.957297   -0.186232   -0.188886   -0.442162
66
* Frequency(164)  552.5600
Rb    5.171705    5.493485   -3.155094   -0.000256   -0.000090   -0.000524
Rb    5.562105   -1.266859   -3.730003   -0.000220   -0.000204   -0.000256
Rb    5.409044   -1.938324    3.308893   -0.000052    0.000976    0.001200
Rb    4.900440    4.947078    3.657935    0.001542    0.001268    0.003308
Rb    1.958325   -1.349251   -0.696275   -0.002254    0.000830    0.001672
Rb    5.218657    1.852416   -0.103975    0.002804    0.001898   -0.004406
Rb    1.979661    2.349459   -4.303406   -0.000138   -0.000060   -0.000230
Rb    1.845237    1.801807    3.733755   -0.002160    0.000594    0.001618
Rb    1.514794    5.519455    0.065371    0.000462   -0.000148   -0.001150
Rb   -1.599640    2.395072   -0.272659   -0.000166    0.000848    0.001172
Rb   -1.558879    5.687251   -3.359747   -0.000128   -0.000150   -0.000068
Rb   -1.339258   -1.092325   -3.904707   -0.000292   -0.000228    0.000396
Rb   -1.411327   -1.403429    3.146723    0.002762    0.001430   -0.004002
Rb   -1.930701    5.433291    3.450125    0.000232    0.000342    0.000132
Br    5.448750    2.177176   -3.645054    0.000064    0.000098    0.000478
Br    5.986404   -1.505322   -0.296002   -0.000020    0.002054    0.000734
Br    5.547496    1.538222    3.504877   -0.000588    0.001492   -0.001434
Br    5.148426    5.467517    0.213234    0.000246    0.000194    0.001878
Br    1.825399    5.787528   -3.475892    0.000210    0.000004    0.000182
Br    2.117391   -1.148907   -4.166428    0.000316    0.000266   -0.000218
Br    1.986911   -1.690468    3.998536    0.004278    0.002698    0.000096
Br    1.524835    5.680959    3.705950    0.002428   -0.000146   -0.000762
Br   -1.512748    2.349442   -3.859575    0.000280    0.000256   -0.000142
Br   -1.743231   -1.082524   -0.461739   -0.000242    0.001822   -0.001838
Br   -2.169201    1.957664    3.335861    0.000210    0.002246    0.000684
Br   -1.981565    5.880591   -0.008135    0.000156    0.000100   -0.000060
Br    1.820530    2.142073   -0.961427    0.004022    0.002850   -0.000166
Br   -1.826592    5.106658    6.861740    0.000220    0.000102   -0.000116
Rb    1.583598    5.095143    7.137942   -0.000154   -0.000134    0.000172
Br    5.006492    4.955375    7.048964    0.000056   -0.000186   -0.000570
Rb   -1.751039    1.714721    6.770721   -0.000268   -0.000180   -0.000290
Br    1.693569    1.602375    7.205134    0.000370    0.000098   -0.000418
Rb    5.151289    1.549072    6.947308   -0.000236   -0.000164    0.000444
Br   -1.634603   -1.730223    6.684520    0.000334    0.000130    0.000406
Rb    1.837718   -1.897141    7.340048   -0.000138   -0.000132   -0.000120
Br    5.328825   -1.893643    6.898112   -0.000006    0.000378   -0.000330
Rb   -1.349012   -5.047286    6.195373   -0.000236   -0.000098   -0.000568
Br    1.996958   -5.332918    6.508642    0.000256    0.000266    0.000086
Rb    5.381351   -5.231491    6.394806   -0.000134   -0.000134   -0.000064
Br   -1.333366   -5.018511    2.825806    0.000502    0.000228    0.002132
Rb    2.299681   -5.065406    2.967904    0.000504   -0.000374   -0.001134
Br    5.794988   -5.422819    3.042764    0.000018    0.000128   -0.000014
Rb   -1.095179   -4.492537   -0.619068    0.001538    0.001314    0.003424
Br    2.281746   -5.222311   -0.671839    0.002610    0.000186   -0.000670
Rb    5.738657   -4.977397   -0.414103    0.000228    0.000180   -0.000058
Br   -1.197194   -4.498526   -4.007978    0.000152   -0.000082   -0.000550
Rb    2.225472   -4.641010   -4.105197   -0.000154   -0.000196    0.000130
Br    5.635984   -4.658862   -3.825889    0.000210    0.000146   -0.000030
O     0.449362    0.330967    1.425354    0.010626    0.018890    0.030568
H     0.995392    1.040684    1.022177   -0.211654   -0.266820   -0.524704
H    -0.208036    0.079061    0.732774   -0.000844   -0.523846    0.391482
O     3.355007    0.113842    1.596402    0.010866    0.015996    0.033500
H     4.014296    0.653562    2.101908   -0.001282   -0.546532    0.409086
H     2.931243   -0.453423    2.287279   -0.244880   -0.252554   -0.532836
O     0.212661    3.442206    1.842998    0.014782    0.013598   -0.001160
H     0.728113    4.082653    2.384812   -0.420196    0.063370    0.238988
H    -0.506788    3.097832    2.421963    0.108584   -0.418298   -0.257158
O     3.589321   -2.991540    1.191983    0.014916    0.014174   -0.001516
H     4.261750   -2.423608    0.747532    0.108874   -0.422332   -0.261318
H     3.300448   -3.657639    0.524956   -0.425862    0.064328    0.241608
O     3.184570    3.385314    1.667128    0.001912   -0.003338   -0.020536
H     3.793264    4.044834    1.265494   -0.180528   -0.178304   -0.424804
H     2.762642    2.937123    0.891515   -0.463154   -0.034514    0.398548
O     0.621885   -2.930133    1.382151    0.002294   -0.003640   -0.020228
H     1.293050   -2.468891    1.935892   -0.498392   -0.020426    0.418892
H     0.111675   -3.498850    1.997499   -0.186232   -0.188886   -0.442162
66
* Frequency(164)  552.5600
Rb    5.171721    5.493491   -3.155061   -0.000256   -0.000090   -0.000524
Rb    5.562119   -1.266847   -3.729987   -0.000220   -0.000204   -0.000256
Rb    5.409048   -1.938386    3.308817   -0.000052    0.000976    0.001200
Rb    4.900343    4.946999    3.657727    0.001542    0.001268    0.003308
Rb    1.958467   -1.349303   -0.696380   -0.002254    0.000830    0.001672
Rb    5.218480    1.852297   -0.103698    0.002804    0.001898   -0.004406
Rb    1.979669    2.349463   -4.303391   -0.000138   -0.000060   -0.000230
Rb    1.845373    1.801770    3.733653   -0.002160    0.000594    0.001618
Rb    1.514765    5.519464    0.065444    0.000462   -0.000148   -0.001150
Rb   -1.599630    2.395018   -0.272733   -0.000166    0.000848    0.001172
Rb   -1.558871    5.687260   -3.359743   -0.000128   -0.000150   -0.000068
Rb   -1.339239   -1.092311   -3.904732   -0.000292   -0.000228    0.000396
Rb   -1.411501   -1.403519    3.146975    0.002762    0.001430   -0.004002
Rb   -1.930715    5.433269    3.450117    0.000232    0.000342    0.000132
Br    5.448745    2.177170   -3.645084    0.000064    0.000098    0.000478
Br    5.986405   -1.505451   -0.296048   -0.000020    0.002054    0.000734
Br    5.547533    1.538128    3.504968   -0.000588    0.001492   -0.001434
Br    5.148410    5.467505    0.213116    0.000246    0.000194    0.001878
Br    1.825386    5.787528   -3.475903    0.000210    0.000004    0.000182
Br    2.117371   -1.148924   -4.166414    0.000316    0.000266   -0.000218
Br    1.986642   -1.690638    3.998530    0.004278    0.002698    0.000096
Br    1.524682    5.680968    3.705998    0.002428   -0.000146   -0.000762
Br   -1.512766    2.349426   -3.859566    0.000280    0.000256   -0.000142
Br   -1.743215   -1.082639   -0.461623   -0.000242    0.001822   -0.001838
Br   -2.169214    1.957522    3.335818    0.000210    0.002246    0.000684
Br   -1.981575    5.880585   -0.008131    0.000156    0.000100   -0.000060
Br    1.820277    2.141894   -0.961417    0.004022    0.002850   -0.000166
Br   -1.826606    5.106651    6.861747    0.000220    0.000102   -0.000116
Rb    1.583607    5.095151    7.137931   -0.000154   -0.000134    0.000172
Br    5.006488    4.955387    7.049000    0.000056   -0.000186   -0.000570
Rb   -1.751022    1.714733    6.770739   -0.000268   -0.000180   -0.000290
Br    1.693545    1.602369    7.205160    0.000370    0.000098   -0.000418
Rb    5.151304    1.549083    6.947280   -0.000236   -0.000164    0.000444
Br   -1.634624   -1.730232    6.684495    0.000334    0.000130    0.000406
Rb    1.837726   -1.897133    7.340055   -0.000138   -0.000132   -0.000120
Br    5.328825   -1.893667    6.898133   -0.000006    0.000378   -0.000330
Rb   -1.348997   -5.047280    6.195409   -0.000236   -0.000098   -0.000568
Br    1.996942   -5.332935    6.508636    0.000256    0.000266    0.000086
Rb    5.381359   -5.231483    6.394811   -0.000134   -0.000134   -0.000064
Br   -1.333398   -5.018525    2.825672    0.000502    0.000228    0.002132
Rb    2.299649   -5.065382    2.967975    0.000504   -0.000374   -0.001134
Br    5.794987   -5.422827    3.042764    0.000018    0.000128   -0.000014
Rb   -1.095276   -4.492620   -0.619283    0.001538    0.001314    0.003424
Br    2.281581   -5.222323   -0.671797    0.002610    0.000186   -0.000670
Rb    5.738643   -4.977409   -0.414099    0.000228    0.000180   -0.000058
Br   -1.197204   -4.498521   -4.007944    0.000152   -0.000082   -0.000550
Rb    2.225481   -4.640997   -4.105206   -0.000154   -0.000196    0.000130
Br    5.635971   -4.658871   -3.825887    0.000210    0.000146   -0.000030
O     0.448692    0.329776    1.423427    0.010626    0.018890    0.030568
H     1.008729    1.057498    1.055242   -0.211654   -0.266820   -0.524704
H    -0.207982    0.112072    0.708104   -0.000844   -0.523846    0.391482
O     3.354322    0.112834    1.594291    0.010866    0.015996    0.033500
H     4.014377    0.688003    2.076128   -0.001282   -0.546532    0.409086
H     2.946675   -0.437508    2.320857   -0.244880   -0.252554   -0.532836
O     0.211729    3.441350    1.843071    0.014782    0.013598   -0.001160
H     0.754593    4.078660    2.369751   -0.420196    0.063370    0.238988
H    -0.513630    3.124192    2.438168    0.108584   -0.418298   -0.257158
O     3.588381   -2.992433    1.192079    0.014916    0.014174   -0.001516
H     4.254889   -2.396994    0.764000    0.108874   -0.422332   -0.261318
H     3.327285   -3.661692    0.509731   -0.425862    0.064328    0.241608
O     3.184449    3.385524    1.668422    0.001912   -0.003338   -0.020536
H     3.804640    4.056070    1.292264   -0.180528   -0.178304   -0.424804
H     2.791828    2.939298    0.866399   -0.463154   -0.034514    0.398548
O     0.621741   -2.929903    1.383425    0.002294   -0.003640   -0.020228
H     1.324457   -2.467604    1.909494   -0.498392   -0.020426    0.418892
H     0.123411   -3.486947    2.025363   -0.186232   -0.188886   -0.442162
66
* Frequency(164)  552.5600
Rb    5.171728    5.493493   -3.155046   -0.000256   -0.000090   -0.000524
Rb    5.562125   -1.266841   -3.729980   -0.000220   -0.000204   -0.000256
Rb    5.409049   -1.938413    3.308783   -0.000052    0.000976    0.001200
Rb    4.900299    4.946963    3.657633    0.001542    0.001268    0.003308
Rb    1.958531   -1.349327   -0.696427   -0.002254    0.000830    0.001672
Rb    5.218401    1.852243   -0.103573    0.002804    0.001898   -0.004406
Rb    1.979673    2.349465   -4.303385   -0.000138   -0.000060   -0.000230
Rb    1.845434    1.801753    3.733608   -0.002160    0.000594    0.001618
Rb    1.514752    5.519469    0.065476    0.000462   -0.000148   -0.001150
Rb   -1.599625    2.394994   -0.272766   -0.000166    0.000848    0.001172
Rb   -1.558867    5.687264   -3.359741   -0.000128   -0.000150   -0.000068
Rb   -1.339231   -1.092304   -3.904743   -0.000292   -0.000228    0.000396
Rb   -1.411579   -1.403560    3.147088    0.002762    0.001430   -0.004002
Rb   -1.930722    5.433260    3.450113    0.000232    0.000342    0.000132
Br    5.448744    2.177167   -3.645098    0.000064    0.000098    0.000478
Br    5.986406   -1.505509   -0.296069   -0.000020    0.002054    0.000734
Br    5.547550    1.538086    3.505008   -0.000588    0.001492   -0.001434
Br    5.148403    5.467499    0.213063    0.000246    0.000194    0.001878
Br    1.825380    5.787528   -3.475908    0.000210    0.000004    0.000182
Br    2.117362   -1.148932   -4.166408    0.000316    0.000266   -0.000218
Br    1.986521   -1.690714    3.998528    0.004278    0.002698    0.000096
Br    1.524613    5.680972    3.706020    0.002428   -0.000146   -0.000762
Br   -1.512774    2.349419   -3.859562    0.000280    0.000256   -0.000142
Br   -1.743209   -1.082691   -0.461571   -0.000242    0.001822   -0.001838
Br   -2.169220    1.957459    3.335798    0.000210    0.002246    0.000684
Br   -1.981579    5.880582   -0.008129    0.000156    0.000100   -0.000060
Br    1.820163    2.141813   -0.961412    0.004022    0.002850   -0.000166
Br   -1.826612    5.106648    6.861750    0.000220    0.000102   -0.000116
Rb    1.583612    5.095155    7.137926   -0.000154   -0.000134    0.000172
Br    5.006486    4.955392    7.049016    0.000056   -0.000186   -0.000570
Rb   -1.751015    1.714738    6.770747   -0.000268   -0.000180   -0.000290
Br    1.693535    1.602366    7.205172    0.000370    0.000098   -0.000418
Rb    5.151310    1.549087    6.947267   -0.000236   -0.000164    0.000444
Br   -1.634634   -1.730235    6.684483    0.000334    0.000130    0.000406
Rb    1.837730   -1.897129    7.340059   -0.000138   -0.000132   -0.000120
Br    5.328825   -1.893678    6.898142   -0.000006    0.000378   -0.000330
Rb   -1.348991   -5.047277    6.195425   -0.000236   -0.000098   -0.000568
Br    1.996935   -5.332943    6.508634    0.000256    0.000266    0.000086
Rb    5.381363   -5.231479    6.394812   -0.000134   -0.000134   -0.000064
Br   -1.333412   -5.018532    2.825611    0.000502    0.000228    0.002132
Rb    2.299635   -5.065372    2.968008    0.000504   -0.000374   -0.001134
Br    5.794987   -5.422831    3.042765    0.000018    0.000128   -0.000014
Rb   -1.095319   -4.492657   -0.619380    0.001538    0.001314    0.003424
Br    2.281508   -5.222328   -0.671778    0.002610    0.000186   -0.000670
Rb    5.738636   -4.977414   -0.414098    0.000228    0.000180   -0.000058
Br   -1.197208   -4.498518   -4.007928    0.000152   -0.000082   -0.000550
Rb    2.225486   -4.640992   -4.105209   -0.000154   -0.000196    0.000130
Br    5.635965   -4.658875   -3.825887    0.000210    0.000146   -0.000030
O     0.448392    0.329242    1.422563    0.010626    0.018890    0.030568
H     1.014716    1.065045    1.070083   -0.211654   -0.266820   -0.524704
H    -0.207959    0.126889    0.697031   -0.000844   -0.523846    0.391482
O     3.354015    0.112382    1.593343    0.010866    0.015996    0.033500
H     4.014413    0.703461    2.064558   -0.001282   -0.546532    0.409086
H     2.953601   -0.430365    2.335928   -0.244880   -0.252554   -0.532836
O     0.211311    3.440965    1.843104    0.014782    0.013598   -0.001160
H     0.766477    4.076867    2.362992   -0.420196    0.063370    0.238988
H    -0.516702    3.136023    2.445442    0.108584   -0.418298   -0.257158
O     3.587959   -2.992834    1.192122    0.014916    0.014174   -0.001516
H     4.251809   -2.385049    0.771391    0.108874   -0.422332   -0.261318
H     3.339330   -3.663512    0.502897   -0.425862    0.064328    0.241608
O     3.184395    3.385618    1.669003    0.001912   -0.003338   -0.020536
H     3.809746    4.061113    1.304280   -0.180528   -0.178304   -0.424804
H     2.804928    2.940275    0.855127   -0.463154   -0.034514    0.398548
O     0.621676   -2.929800    1.383998    0.002294   -0.003640   -0.020228
H     1.338553   -2.467026    1.897647   -0.498392   -0.020426    0.418892
H     0.128679   -3.481605    2.037869   -0.186232   -0.188886   -0.442162
66
* Frequency(164)  552.5600
Rb    5.171726    5.493493   -3.155051   -0.000256   -0.000090   -0.000524
Rb    5.562123   -1.266843   -3.729982   -0.000220   -0.000204   -0.000256
Rb    5.409049   -1.938404    3.308795   -0.000052    0.000976    0.001200
Rb    4.900314    4.946975    3.657665    0.001542    0.001268    0.003308
Rb    1.958510   -1.349319   -0.696411   -0.002254    0.000830    0.001672
Rb    5.218428    1.852261   -0.103615    0.002804    0.001898   -0.004406
Rb    1.979672    2.349464   -4.303387   -0.000138   -0.000060   -0.000230
Rb    1.845414    1.801758    3.733623   -0.002160    0.000594    0.001618
Rb    1.514756    5.519467    0.065465    0.000462   -0.000148   -0.001150
Rb   -1.599627    2.395002   -0.272755   -0.000166    0.000848    0.001172
Rb   -1.558869    5.687263   -3.359742   -0.000128   -0.000150   -0.000068
Rb   -1.339234   -1.092307   -3.904739   -0.000292   -0.000228    0.000396
Rb   -1.411553   -1.403546    3.147050    0.002762    0.001430   -0.004002
Rb   -1.930720    5.433263    3.450114    0.000232    0.000342    0.000132
Br    5.448744    2.177168   -3.645093    0.000064    0.000098    0.000478
Br    5.986406   -1.505490   -0.296062   -0.000020    0.002054    0.000734
Br    5.547545    1.538100    3.504995   -0.000588    0.001492   -0.001434
Br    5.148406    5.467501    0.213081    0.000246    0.000194    0.001878
Br    1.825382    5.787528   -3.475907    0.000210    0.000004    0.000182
Br    2.117365   -1.148929   -4.166410    0.000316    0.000266   -0.000218
Br    1.986562   -1.690688    3.998528    0.004278    0.002698    0.000096
Br    1.524636    5.680971    3.706013    0.002428   -0.000146   -0.000762
Br   -1.512771    2.349421   -3.859564    0.000280    0.000256   -0.000142
Br   -1.743211   -1.082673   -0.461588   -0.000242    0.001822   -0.001838
Br   -2.169218    1.957480    3.335805    0.000210    0.002246    0.000684
Br   -1.981578    5.880583   -0.008130    0.000156    0.000100   -0.000060
Br    1.820201    2.141840   -0.961414    0.004022    0.002850   -0.000166
Br   -1.826610    5.106649    6.861749    0.000220    0.000102   -0.000116
Rb    1.583610    5.095153    7.137928   -0.000154   -0.000134    0.000172
Br    5.006487    4.955390    7.049010    0.000056   -0.000186   -0.000570
Rb   -1.751017    1.714736    6.770744   -0.000268   -0.000180   -0.000290
Br    1.693538    1.602367    7.205168    0.000370    0.000098   -0.000418
Rb    5.151308    1.549086    6.947271   -0.000236   -0.000164    0.000444
Br   -1.634630   -1.730234    6.684487    0.000334    0.000130    0.000406
Rb    1.837729   -1.897130    7.340058   -0.000138   -0.000132   -0.000120
Br    5.328825   -1.893674    6.898139   -0.000006    0.000378   -0.000330
Rb   -1.348993   -5.047278    6.195420   -0.000236   -0.000098   -0.000568
Br    1.996937   -5.332940    6.508635    0.000256    0.000266    0.000086
Rb    5.381361   -5.231481    6.394812   -0.000134   -0.000134   -0.000064
Br   -1.333407   -5.018529    2.825632    0.000502    0.000228    0.002132
Rb    2.299640   -5.065375    2.967997    0.000504   -0.000374   -0.001134
Br    5.794987   -5.422829    3.042765    0.000018    0.000128   -0.000014
Rb   -1.095305   -4.492645   -0.619348    0.001538    0.001314    0.003424
Br    2.281532   -5.222326   -0.671785    0.002610    0.000186   -0.000670
Rb    5.738639   -4.977412   -0.414098    0.000228    0.000180   -0.000058
Br   -1.197207   -4.498519   -4.007933    0.000152   -0.000082   -0.000550
Rb    2.225484   -4.640993   -4.105208   -0.000154   -0.000196    0.000130
Br    5.635967   -4.658874   -3.825887    0.000210    0.000146   -0.000030
O     0.448493    0.329422    1.422854    0.010626    0.018890    0.030568
H     1.012702    1.062506    1.065091   -0.211654   -0.266820   -0.524704
H    -0.207967    0.121905    0.700756   -0.000844   -0.523846    0.391482
O     3.354118    0.112534    1.593662    0.010866    0.015996    0.033500
H     4.014401    0.698261    2.068450   -0.001282   -0.546532    0.409086
H     2.951271   -0.432768    2.330858   -0.244880   -0.252554   -0.532836
O     0.211452    3.441094    1.843093    0.014782    0.013598   -0.001160
H     0.762479    4.077470    2.365266   -0.420196    0.063370    0.238988
H    -0.515668    3.132043    2.442995    0.108584   -0.418298   -0.257158
O     3.588101   -2.992699    1.192107    0.014916    0.014174   -0.001516
H     4.252845   -2.389067    0.768905    0.108874   -0.422332   -0.261318
H     3.335278   -3.662900    0.505196   -0.425862    0.064328    0.241608
O     3.184413    3.385587    1.668808    0.001912   -0.003338   -0.020536
H     3.808028    4.059417    1.300238   -0.180528   -0.178304   -0.424804
H     2.800522    2.939946    0.858919   -0.463154   -0.034514    0.398548
O     0.621698   -2.929835    1.383805    0.002294   -0.003640   -0.020228
H     1.333811   -2.467221    1.901632   -0.498392   -0.020426    0.418892
H     0.126907   -3.483402    2.033662   -0.186232   -0.188886   -0.442162
66
* Frequency(164)  552.5600
Rb    5.171714    5.493488   -3.155075   -0.000256   -0.000090   -0.000524
Rb    5.562112   -1.266852   -3.729994   -0.000220   -0.000204   -0.000256
Rb    5.409046   -1.938359    3.308850   -0.000052    0.000976    0.001200
Rb    4.900385    4.947033    3.657818    0.001542    0.001268    0.003308
Rb    1.958405   -1.349280   -0.696334   -0.002254    0.000830    0.001672
Rb    5.218557    1.852349   -0.103819    0.002804    0.001898   -0.004406
Rb    1.979665    2.349462   -4.303398   -0.000138   -0.000060   -0.000230
Rb    1.845314    1.801786    3.733698   -0.002160    0.000594    0.001618
Rb    1.514778    5.519460    0.065412    0.000462   -0.000148   -0.001150
Rb   -1.599634    2.395042   -0.272700   -0.000166    0.000848    0.001172
Rb   -1.558874    5.687256   -3.359745   -0.000128   -0.000150   -0.000068
Rb   -1.339247   -1.092317   -3.904721   -0.000292   -0.000228    0.000396
Rb   -1.411425   -1.403480    3.146865    0.002762    0.001430   -0.004002
Rb   -1.930709    5.433279    3.450120    0.000232    0.000342    0.000132
Br    5.448747    2.177172   -3.645071    0.000064    0.000098    0.000478
Br    5.986405   -1.505395   -0.296028   -0.000020    0.002054    0.000734
Br    5.547517    1.538169    3.504928   -0.000588    0.001492   -0.001434
Br    5.148417    5.467510    0.213168    0.000246    0.000194    0.001878
Br    1.825391    5.787528   -3.475898    0.000210    0.000004    0.000182
Br    2.117379   -1.148917   -4.166420    0.000316    0.000266   -0.000218
Br    1.986760   -1.690564    3.998533    0.004278    0.002698    0.000096
Br    1.524749    5.680964    3.705977    0.002428   -0.000146   -0.000762
Br   -1.512758    2.349433   -3.859570    0.000280    0.000256   -0.000142
Br   -1.743222   -1.082589   -0.461673   -0.000242    0.001822   -0.001838
Br   -2.169209    1.957584    3.335837    0.000210    0.002246    0.000684
Br   -1.981571    5.880588   -0.008132    0.000156    0.000100   -0.000060
Br    1.820388    2.141972   -0.961421    0.004022    0.002850   -0.000166
Br   -1.826599    5.106654    6.861744    0.000220    0.000102   -0.000116
Rb    1.583603    5.095147    7.137936   -0.000154   -0.000134    0.000172
Br    5.006490    4.955381    7.048984    0.000056   -0.000186   -0.000570
Rb   -1.751029    1.714728    6.770731   -0.000268   -0.000180   -0.000290
Br    1.693556    1.602371    7.205148    0.000370    0.000098   -0.000418
Rb    5.151297    1.549078    6.947292   -0.000236   -0.000164    0.000444
Br   -1.634615   -1.730228    6.684506    0.000334    0.000130    0.000406
Rb    1.837722   -1.897136    7.340052   -0.000138   -0.000132   -0.000120
Br    5.328825   -1.893657    6.898124   -0.000006    0.000378   -0.000330
Rb   -1.349004   -5.047282    6.195393   -0.000236   -0.000098   -0.000568
Br    1.996949   -5.332928    6.508639    0.000256    0.000266    0.000086
Rb    5.381355   -5.231487    6.394809   -0.000134   -0.000134   -0.000064
Br   -1.333384   -5.018519    2.825730    0.000502    0.000228    0.002132
Rb    2.299663   -5.065392    2.967944    0.000504   -0.000374   -0.001134
Br    5.794988   -5.422824    3.042764    0.000018    0.000128   -0.000014
Rb   -1.095234   -4.492584   -0.619189    0.001538    0.001314    0.003424
Br    2.281653   -5.222317   -0.671816    0.002610    0.000186   -0.000670
Rb    5.738649   -4.977404   -0.414101    0.000228    0.000180   -0.000058
Br   -1.197200   -4.498523   -4.007959    0.000152   -0.000082   -0.000550
Rb    2.225477   -4.641003   -4.105202   -0.000154   -0.000196    0.000130
Br    5.635976   -4.658867   -3.825888    0.000210    0.000146   -0.000030
O     0.448984    0.330296    1.424268    0.010626    0.018890    0.030568
H     1.002906    1.050157    1.040807   -0.211654   -0.266820   -0.524704
H    -0.208006    0.097660    0.718875   -0.000844   -0.523846    0.391482
O     3.354621    0.113274    1.595212    0.010866    0.015996    0.033500
H     4.014342    0.672966    2.087383   -0.001282   -0.546532    0.409086
H     2.939938   -0.444457    2.306197   -0.244880   -0.252554   -0.532836
O     0.212136    3.441724    1.843039    0.014782    0.013598   -0.001160
H     0.743032    4.080403    2.376327   -0.420196    0.063370    0.238988
H    -0.510643    3.112684    2.431093    0.108584   -0.418298   -0.257158
O     3.588791   -2.992043    1.192037    0.014916    0.014174   -0.001516
H     4.257884   -2.408613    0.756810    0.108874   -0.422332   -0.261318
H     3.315568   -3.659923    0.516378   -0.425862    0.064328    0.241608
O     3.184502    3.385432    1.667857    0.001912   -0.003338   -0.020536
H     3.799673    4.051165    1.280577   -0.180528   -0.178304   -0.424804
H     2.779086    2.938349    0.877364   -0.463154   -0.034514    0.398548
O     0.621804   -2.930003    1.382869    0.002294   -0.003640   -0.020228
H     1.310745   -2.468166    1.921019   -0.498392   -0.020426    0.418892
H     0.118288   -3.492144    2.013198   -0.186232   -0.188886   -0.442162
66
* Frequency(164)  552.5600
Rb    5.171694    5.493481   -3.155116   -0.000256   -0.000090   -0.000524
Rb    5.562095   -1.266868   -3.730014   -0.000220   -0.000204   -0.000256
Rb    5.409042   -1.938283    3.308944   -0.000052    0.000976    0.001200
Rb    4.900506    4.947132    3.658076    0.001542    0.001268    0.003308
Rb    1.958230   -1.349215   -0.696203   -0.002254    0.000830    0.001672
Rb    5.218776    1.852497   -0.104163    0.002804    0.001898   -0.004406
Rb    1.979655    2.349457   -4.303416   -0.000138   -0.000060   -0.000230
Rb    1.845145    1.801832    3.733824   -0.002160    0.000594    0.001618
Rb    1.514814    5.519449    0.065322    0.000462   -0.000148   -0.001150
Rb   -1.599647    2.395108   -0.272609   -0.000166    0.000848    0.001172
Rb   -1.558884    5.687244   -3.359750   -0.000128   -0.000150   -0.000068
Rb   -1.339270   -1.092335   -3.904690   -0.000292   -0.000228    0.000396
Rb   -1.411210   -1.403368    3.146552    0.002762    0.001430   -0.004002
Rb   -1.930691    5.433305    3.450131    0.000232    0.000342    0.000132
Br    5.448752    2.177180   -3.645034    0.000064    0.000098    0.000478
Br    5.986403   -1.505235   -0.295971   -0.000020    0.002054    0.000734
Br    5.547471    1.538285    3.504816   -0.000588    0.001492   -0.001434
Br    5.148436    5.467525    0.213314    0.000246    0.000194    0.001878
Br    1.825408    5.787528   -3.475884    0.000210    0.000004    0.000182
Br    2.117404   -1.148896   -4.166437    0.000316    0.000266   -0.000218
Br    1.987093   -1.690353    3.998540    0.004278    0.002698    0.000096
Br    1.524938    5.680952    3.705918    0.002428   -0.000146   -0.000762
Br   -1.512736    2.349453   -3.859581    0.000280    0.000256   -0.000142
Br   -1.743241   -1.082447   -0.461817   -0.000242    0.001822   -0.001838
Br   -2.169192    1.957759    3.335890    0.000210    0.002246    0.000684
Br   -1.981559    5.880596   -0.008137    0.000156    0.000100   -0.000060
Br    1.820701    2.142194   -0.961434    0.004022    0.002850   -0.000166
Br   -1.826582    5.106662    6.861735    0.000220    0.000102   -0.000116
Rb    1.583591    5.095137    7.137949   -0.000154   -0.000134    0.000172
Br    5.006494    4.955367    7.048940    0.000056   -0.000186   -0.000570
Rb   -1.751050    1.714714    6.770708   -0.000268   -0.000180   -0.000290
Br    1.693584    1.602379    7.205116    0.000370    0.000098   -0.000418
Rb    5.151279    1.549065    6.947327   -0.000236   -0.000164    0.000444
Br   -1.634589   -1.730218    6.684538    0.000334    0.000130    0.000406
Rb    1.837712   -1.897147    7.340043   -0.000138   -0.000132   -0.000120
Br    5.328824   -1.893627    6.898098   -0.000006    0.000378   -0.000330
Rb   -1.349022   -5.047290    6.195349   -0.000236   -0.000098   -0.000568
Br    1.996969   -5.332907    6.508646    0.000256    0.000266    0.000086
Rb    5.381345   -5.231497    6.394804   -0.000134   -0.000134   -0.000064
Br   -1.333345   -5.018501    2.825897    0.000502    0.000228    0.002132
Rb    2.299703   -5.065422    2.967856    0.000504   -0.000374   -0.001134
Br    5.794989   -5.422814    3.042763    0.000018    0.000128   -0.000014
Rb   -1.095114   -4.492481   -0.618922    0.001538    0.001314    0.003424
Br    2.281857   -5.222303   -0.671868    0.002610    0.000186   -0.000670
Rb    5.738667   -4.977390   -0.414106    0.000228    0.000180   -0.000058
Br   -1.197188   -4.498529   -4.008002    0.000152   -0.000082   -0.000550
Rb    2.225465   -4.641018   -4.105192   -0.000154   -0.000196    0.000130
Br    5.635993   -4.658855   -3.825891    0.000210    0.000146   -0.000030
O     0.449814    0.331770    1.426654    0.010626    0.018890    0.030568
H     0.986390    1.029336    0.999862   -0.211654   -0.266820   -0.524704
H    -0.208072    0.056783    0.749423   -0.000844   -0.523846    0.391482
O     3.355469    0.114522    1.597826    0.010866    0.015996    0.033500
H     4.014242    0.630318    2.119306   -0.001282   -0.546532    0.409086
H     2.920829   -0.464164    2.264618   -0.244880   -0.252554   -0.532836
O     0.213289    3.442785    1.842948    0.014782    0.013598   -0.001160
H     0.710242    4.085348    2.394976   -0.420196    0.063370    0.238988
H    -0.502170    3.080042    2.411026    0.108584   -0.418298   -0.257158
O     3.589955   -2.990937    1.191919    0.014916    0.014174   -0.001516
H     4.266380   -2.441569    0.736419    0.108874   -0.422332   -0.261318
H     3.282336   -3.654903    0.535231   -0.425862    0.064328    0.241608
O     3.184651    3.385172    1.666255    0.001912   -0.003338   -0.020536
H     3.785586    4.037251    1.247428   -0.180528   -0.178304   -0.424804
H     2.742944    2.935656    0.908464   -0.463154   -0.034514    0.398548
O     0.621983   -2.930287    1.381291    0.002294   -0.003640   -0.020228
H     1.271854   -2.469760    1.953707   -0.498392   -0.020426    0.418892
H     0.103755   -3.506883    1.978695   -0.186232   -0.188886   -0.442162
66
* Frequency(164)  552.5600
Rb    5.171668    5.493472   -3.155169   -0.000256   -0.000090   -0.000524
Rb    5.562073   -1.266889   -3.730040   -0.000220   -0.000204   -0.000256
Rb    5.409037   -1.938184    3.309066   -0.000052    0.000976    0.001200
Rb    4.900662    4.947261    3.658411    0.001542    0.001268    0.003308
Rb    1.958001   -1.349131   -0.696034   -0.002254    0.000830    0.001672
Rb    5.219060    1.852689   -0.104609    0.002804    0.001898   -0.004406
Rb    1.979641    2.349451   -4.303439   -0.000138   -0.000060   -0.000230
Rb    1.844926    1.801892    3.733988   -0.002160    0.000594    0.001618
Rb    1.514860    5.519434    0.065206    0.000462   -0.000148   -0.001150
Rb   -1.599664    2.395194   -0.272490   -0.000166    0.000848    0.001172
Rb   -1.558897    5.687229   -3.359757   -0.000128   -0.000150   -0.000068
Rb   -1.339300   -1.092358   -3.904650   -0.000292   -0.000228    0.000396
Rb   -1.410930   -1.403224    3.146147    0.002762    0.001430   -0.004002
Rb   -1.930667    5.433340    3.450144    0.000232    0.000342    0.000132
Br    5.448759    2.177190   -3.644985    0.000064    0.000098    0.000478
Br    5.986401   -1.505026   -0.295896   -0.000020    0.002054    0.000734
Br    5.547412    1.538436    3.504671   -0.000588    0.001492   -0.001434
Br    5.148461    5.467545    0.213505    0.000246    0.000194    0.001878
Br    1.825429    5.787529   -3.475866    0.000210    0.000004    0.000182
Br    2.117436   -1.148869   -4.166459    0.000316    0.000266   -0.000218
Br    1.987527   -1.690080    3.998550    0.004278    0.002698    0.000096
Br    1.525184    5.680938    3.705841    0.002428   -0.000146   -0.000762
Br   -1.512708    2.349479   -3.859596    0.000280    0.000256   -0.000142
Br   -1.743265   -1.082262   -0.462003   -0.000242    0.001822   -0.001838
Br   -2.169171    1.957987    3.335959    0.000210    0.002246    0.000684
Br   -1.981543    5.880606   -0.008143    0.000156    0.000100   -0.000060
Br    1.821109    2.142483   -0.961451    0.004022    0.002850   -0.000166
Br   -1.826560    5.106672    6.861723    0.000220    0.000102   -0.000116
Rb    1.583576    5.095123    7.137966   -0.000154   -0.000134    0.000172
Br    5.006500    4.955348    7.048882    0.000056   -0.000186   -0.000570
Rb   -1.751078    1.714695    6.770679   -0.000268   -0.000180   -0.000290
Br    1.693622    1.602389    7.205074    0.000370    0.000098   -0.000418
Rb    5.151255    1.549049    6.947372   -0.000236   -0.000164    0.000444
Br   -1.634555   -1.730205    6.684579    0.000334    0.000130    0.000406
Rb    1.837698   -1.897160    7.340031   -0.000138   -0.000132   -0.000120
Br    5.328824   -1.893589    6.898065   -0.000006    0.000378   -0.000330
Rb   -1.349046   -5.047300    6.195292   -0.000236   -0.000098   -0.000568
Br    1.996995   -5.332880    6.508654    0.000256    0.000266    0.000086
Rb    5.381331   -5.231511    6.394797   -0.000134   -0.000134   -0.000064
Br   -1.333294   -5.018478    2.826113    0.000502    0.000228    0.002132
Rb    2.299754   -5.065459    2.967741    0.000504   -0.000374   -0.001134
Br    5.794991   -5.422801    3.042762    0.000018    0.000128   -0.000014
Rb   -1.094958   -4.492348   -0.618575    0.001538    0.001314    0.003424
Br    2.282121   -5.222284   -0.671936    0.002610    0.000186   -0.000670
Rb    5.738690   -4.977371   -0.414111    0.000228    0.000180   -0.000058
Br   -1.197172   -4.498538   -4.008057    0.000152   -0.000082   -0.000550
Rb    2.225450   -4.641038   -4.105179   -0.000154   -0.000196    0.000130
Br    5.636014   -4.658841   -3.825894    0.000210    0.000146   -0.000030
O     0.450890    0.333684    1.429751    0.010626    0.018890    0.030568
H     0.964943    1.002300    0.946694   -0.211654   -0.266820   -0.524704
H    -0.208157    0.003701    0.789092   -0.000844   -0.523846    0.391482
O     3.356570    0.116143    1.601221    0.010866    0.015996    0.033500
H     4.014112    0.574939    2.160758   -0.001282   -0.546532    0.409086
H     2.896015   -0.489756    2.210626   -0.244880   -0.252554   -0.532836
O     0.214787    3.444163    1.842831    0.014782    0.013598   -0.001160
H     0.667664    4.091769    2.419192   -0.420196    0.063370    0.238988
H    -0.491167    3.037656    2.384969    0.108584   -0.418298   -0.257158
O     3.591467   -2.989501    1.191765    0.014916    0.014174   -0.001516
H     4.277412   -2.484364    0.709939    0.108874   -0.422332   -0.261318
H     3.239184   -3.648385    0.559714   -0.425862    0.064328    0.241608
O     3.184845    3.384833    1.664174    0.001912   -0.003338   -0.020536
H     3.767293    4.019183    1.204383   -0.180528   -0.178304   -0.424804
H     2.696013    2.932158    0.948849   -0.463154   -0.034514    0.398548
O     0.622215   -2.930656    1.379241    0.002294   -0.003640   -0.020228
H     1.221352   -2.471830    1.996153   -0.498392   -0.020426    0.418892
H     0.084884   -3.526023    1.933890   -0.186232   -0.188886   -0.442162
66
* Frequency(164)  552.5600
Rb    5.171639    5.493462   -3.155229   -0.000256   -0.000090   -0.000524
Rb    5.562048   -1.266912   -3.730069   -0.000220   -0.000204   -0.000256
Rb    5.409031   -1.938073    3.309202   -0.000052    0.000976    0.001200
Rb    4.900837    4.947405    3.658787    0.001542    0.001268    0.003308
Rb    1.957745   -1.349037   -0.695844   -0.002254    0.000830    0.001672
Rb    5.219379    1.852905   -0.105110    0.002804    0.001898   -0.004406
Rb    1.979625    2.349444   -4.303465   -0.000138   -0.000060   -0.000230
Rb    1.844681    1.801960    3.734172   -0.002160    0.000594    0.001618
Rb    1.514913    5.519417    0.065075    0.000462   -0.000148   -0.001150
Rb   -1.599683    2.395290   -0.272357   -0.000166    0.000848    0.001172
Rb   -1.558912    5.687212   -3.359765   -0.000128   -0.000150   -0.000068
Rb   -1.339333   -1.092384   -3.904605   -0.000292   -0.000228    0.000396
Rb   -1.410616   -1.403061    3.145692    0.002762    0.001430   -0.004002
Rb   -1.930641    5.433379    3.450159    0.000232    0.000342    0.000132
Br    5.448766    2.177201   -3.644931    0.000064    0.000098    0.000478
Br    5.986399   -1.504793   -0.295813   -0.000020    0.002054    0.000734
Br    5.547345    1.538606    3.504508   -0.000588    0.001492   -0.001434
Br    5.148489    5.467567    0.213718    0.000246    0.000194    0.001878
Br    1.825453    5.787529   -3.475845    0.000210    0.000004    0.000182
Br    2.117472   -1.148839   -4.166484    0.000316    0.000266   -0.000218
Br    1.988013   -1.689773    3.998561    0.004278    0.002698    0.000096
Br    1.525460    5.680921    3.705754    0.002428   -0.000146   -0.000762
Br   -1.512676    2.349508   -3.859612    0.000280    0.000256   -0.000142
Br   -1.743293   -1.082055   -0.462212   -0.000242    0.001822   -0.001838
Br   -2.169147    1.958242    3.336037    0.000210    0.002246    0.000684
Br   -1.981525    5.880617   -0.008150    0.000156    0.000100   -0.000060
Br    1.821566    2.142807   -0.961470    0.004022    0.002850   -0.000166
Br   -1.826535    5.106684    6.861710    0.000220    0.000102   -0.000116
Rb    1.583558    5.095108    7.137986   -0.000154   -0.000134    0.000172
Br    5.006506    4.955327    7.048817    0.000056   -0.000186   -0.000570
Rb   -1.751108    1.714675    6.770646   -0.000268   -0.000180   -0.000290
Br    1.693664    1.602400    7.205026    0.000370    0.000098   -0.000418
Rb    5.151228    1.549030    6.947422   -0.000236   -0.000164    0.000444
Br   -1.634517   -1.730190    6.684625    0.000334    0.000130    0.000406
Rb    1.837682   -1.897175    7.340017   -0.000138   -0.000132   -0.000120
Br    5.328823   -1.893546    6.898027   -0.000006    0.000378   -0.000330
Rb   -1.349073   -5.047311    6.195227   -0.000236   -0.000098   -0.000568
Br    1.997024   -5.332850    6.508664    0.000256    0.000266    0.000086
Rb    5.381316   -5.231526    6.394790   -0.000134   -0.000134   -0.000064
Br   -1.333237   -5.018452    2.826355    0.000502    0.000228    0.002132
Rb    2.299811   -5.065502    2.967612    0.000504   -0.000374   -0.001134
Br    5.794993   -5.422786    3.042760    0.000018    0.000128   -0.000014
Rb   -1.094783   -4.492199   -0.618186    0.001538    0.001314    0.003424
Br    2.282418   -5.222263   -0.672012    0.002610    0.000186   -0.000670
Rb    5.738716   -4.977351   -0.414118    0.000228    0.000180   -0.000058
Br   -1.197155   -4.498547   -4.008120    0.000152   -0.000082   -0.000550
Rb    2.225432   -4.641060   -4.105164   -0.000154   -0.000196    0.000130
Br    5.636038   -4.658824   -3.825897    0.000210    0.000146   -0.000030
O     0.452098    0.335831    1.433225    0.010626    0.018890    0.030568
H     0.940890    0.971977    0.887064   -0.211654   -0.266820   -0.524704
H    -0.208253   -0.055831    0.833582   -0.000844   -0.523846    0.391482
O     3.357805    0.117961    1.605028    0.010866    0.015996    0.033500
H     4.013966    0.512828    2.207249   -0.001282   -0.546532    0.409086
H     2.868186   -0.518457    2.150072   -0.244880   -0.252554   -0.532836
O     0.216467    3.445708    1.842699    0.014782    0.013598   -0.001160
H     0.619911    4.098971    2.446352   -0.420196    0.063370    0.238988
H    -0.478827    2.990119    2.355744    0.108584   -0.418298   -0.257158
O     3.593162   -2.987890    1.191593    0.014916    0.014174   -0.001516
H     4.289785   -2.532360    0.680242    0.108874   -0.422332   -0.261318
H     3.190787   -3.641074    0.587171   -0.425862    0.064328    0.241608
O     3.185062    3.384454    1.661840    0.001912   -0.003338   -0.020536
H     3.746777    3.998920    1.156106   -0.180528   -0.178304   -0.424804
H     2.643378    2.928236    0.994142   -0.463154   -0.034514    0.398548
O     0.622476   -2.931070    1.376942    0.002294   -0.003640   -0.020228
H     1.164712   -2.474151    2.043758   -0.498392   -0.020426    0.418892
H     0.063720   -3.547489    1.883641   -0.186232   -0.188886   -0.442162
