66
* (null), Energy   -1000.0000000
Rb    5.171639    5.493462   -3.155229    0.000104   -0.000170   -0.000024
Rb    5.562048   -1.266912   -3.730069    0.000090   -0.000178    0.000304
Rb    5.409031   -1.938073    3.309202   -0.001652    0.000562   -0.002770
Rb    4.900837    4.947405    3.658787   -0.000172   -0.000702   -0.001144
Rb    1.957745   -1.349037   -0.695844   -0.000822    0.004642    0.003900
Rb    5.219379    1.852905   -0.105110   -0.001574    0.000784   -0.000490
Rb    1.979625    2.349444   -4.303465    0.000136   -0.000126    0.000026
Rb    1.844681    1.801960    3.734172   -0.000472    0.003398    0.003052
Rb    1.514913    5.519417    0.065075   -0.000010    0.002056   -0.001506
Rb   -1.599683    2.395290   -0.272357   -0.002564    0.000226   -0.003692
Rb   -1.558912    5.687212   -3.359765    0.000086   -0.000070   -0.000350
Rb   -1.339333   -1.092384   -3.904605    0.000088   -0.000150   -0.000168
Rb   -1.410616   -1.403061    3.145692   -0.000524    0.000564   -0.000984
Rb   -1.930641    5.433379    3.450159   -0.001270    0.001256    0.001186
Br    5.448766    2.177201   -3.644931   -0.000316    0.000276   -0.000076
Br    5.986399   -1.504793   -0.295813    0.000740    0.000992   -0.001320
Br    5.547345    1.538606    3.504508    0.000008    0.001636    0.000238
Br    5.148489    5.467567    0.213718   -0.000560   -0.000198   -0.000458
Br    1.825453    5.787529   -3.475845   -0.000328   -0.000034    0.000338
Br    2.117472   -1.148839   -4.166484   -0.000406    0.000356   -0.000154
Br    1.988013   -1.689773    3.998561   -0.002426    0.002290    0.001688
Br    1.525460    5.680921    3.705754   -0.002480   -0.000586   -0.000726
Br   -1.512676    2.349508   -3.859612   -0.000092    0.000170    0.000520
Br   -1.743293   -1.082055   -0.462212    0.000010    0.001274   -0.000934
Br   -2.169147    1.958242    3.336037    0.000574    0.001724   -0.001572
Br   -1.981525    5.880617   -0.008150    0.000424   -0.000712    0.000710
Br    1.821566    2.142807   -0.961470   -0.003844    0.004112    0.000500
Br   -1.826535    5.106684    6.861710    0.000050   -0.000058   -0.000456
Rb    1.583558    5.095108    7.137986    0.000182   -0.000092    0.000222
Br    5.006506    4.955327    7.048817   -0.000288    0.000110    0.000112
Rb   -1.751108    1.714675    6.770646    0.000192   -0.000256    0.000282
Br    1.693664    1.602400    7.205026   -0.000214    0.000196   -0.000154
Rb    5.151228    1.549030    6.947422    0.000122   -0.000142   -0.000178
Br   -1.634517   -1.730190    6.684625   -0.000096    0.000232    0.000134
Rb    1.837682   -1.897175    7.340017    0.000062   -0.000110    0.000008
Br    5.328823   -1.893546    6.898027   -0.000344    0.000162    0.000274
Rb   -1.349073   -5.047311    6.195227    0.000146   -0.000112    0.000004
Br    1.997024   -5.332850    6.508664   -0.000232    0.000200    0.000238
Rb    5.381316   -5.231526    6.394790    0.000082   -0.000094   -0.000312
Br   -1.333237   -5.018452    2.826355   -0.000712   -0.000606   -0.000834
Rb    2.299811   -5.065502    2.967612    0.000160    0.001650   -0.001456
Br    5.794993   -5.422786    3.042760    0.000290   -0.000404    0.000670
Rb   -1.094783   -4.492199   -0.618186   -0.000438   -0.000722   -0.001638
Br    2.282418   -5.222263   -0.672012   -0.002048   -0.000446   -0.000734
Rb    5.738716   -4.977351   -0.414118   -0.001132    0.001010    0.001062
Br   -1.197155   -4.498547   -4.008120   -0.000278    0.000180    0.000170
Rb    2.225432   -4.641060   -4.105164    0.000136   -0.000058    0.000164
Br    5.636038   -4.658824   -3.825897    0.000006   -0.000090   -0.000382
O     0.452098    0.335831    1.433225   -0.016402    0.037878    0.014590
H     0.940890    0.971977    0.887064    0.466384   -0.878324   -0.632826
H    -0.208253   -0.055831    0.833582   -0.102918   -0.293010    0.330324
O     3.357805    0.117961    1.605028   -0.007000    0.025446    0.016090
H     4.013966    0.512828    2.207249    0.000314   -0.364202    0.268542
H     2.868186   -0.518457    2.150072    0.205470   -0.550106   -0.470814
O     0.216467    3.445708    1.842699   -0.012926   -0.009722    0.004372
H     0.619911    4.098971    2.446352    0.370684   -0.163102   -0.100694
H    -0.478827    2.990119    2.355744    0.169936   -0.003896    0.240954
O     3.593162   -2.987890    1.191593   -0.005950   -0.003102    0.003792
H     4.289785   -2.532360    0.680242    0.154506   -0.086080    0.136930
H     3.190787   -3.641074    0.587171    0.246700   -0.153256   -0.013260
O     3.185062    3.384454    1.661840   -0.014756    0.005594    0.007728
H     3.746777    3.998920    1.156106    0.085168    0.079602    0.209800
H     2.643378    2.928236    0.994142    0.629498   -0.403598   -0.241958
O     0.622476   -2.931070    1.376942   -0.013876    0.000228    0.006196
H     1.164712   -2.474151    2.043758    0.533110   -0.177058   -0.327744
H     0.063720   -3.547489    1.883641    0.129386    0.129180    0.320044
66
* Frequency(169)  618.2200
Rb    5.171651    5.493443   -3.155232    0.000104   -0.000170   -0.000024
Rb    5.562058   -1.266932   -3.730034    0.000090   -0.000178    0.000304
Rb    5.408843   -1.938009    3.308887   -0.001652    0.000562   -0.002770
Rb    4.900817    4.947325    3.658657   -0.000172   -0.000702   -0.001144
Rb    1.957652   -1.348509   -0.695401   -0.000822    0.004642    0.003900
Rb    5.219200    1.852994   -0.105166   -0.001574    0.000784   -0.000490
Rb    1.979640    2.349430   -4.303462    0.000136   -0.000126    0.000026
Rb    1.844627    1.802346    3.734519   -0.000472    0.003398    0.003052
Rb    1.514912    5.519651    0.064904   -0.000010    0.002056   -0.001506
Rb   -1.599974    2.395316   -0.272777   -0.002564    0.000226   -0.003692
Rb   -1.558902    5.687204   -3.359805    0.000086   -0.000070   -0.000350
Rb   -1.339323   -1.092401   -3.904624    0.000088   -0.000150   -0.000168
Rb   -1.410676   -1.402997    3.145580   -0.000524    0.000564   -0.000984
Rb   -1.930785    5.433522    3.450294   -0.001270    0.001256    0.001186
Br    5.448730    2.177232   -3.644940   -0.000316    0.000276   -0.000076
Br    5.986483   -1.504680   -0.295963    0.000740    0.000992   -0.001320
Br    5.547346    1.538792    3.504535    0.000008    0.001636    0.000238
Br    5.148425    5.467544    0.213666   -0.000560   -0.000198   -0.000458
Br    1.825416    5.787525   -3.475807   -0.000328   -0.000034    0.000338
Br    2.117426   -1.148799   -4.166502   -0.000406    0.000356   -0.000154
Br    1.987737   -1.689513    3.998753   -0.002426    0.002290    0.001688
Br    1.525178    5.680854    3.705671   -0.002480   -0.000586   -0.000726
Br   -1.512686    2.349527   -3.859553   -0.000092    0.000170    0.000520
Br   -1.743292   -1.081910   -0.462318    0.000010    0.001274   -0.000934
Br   -2.169082    1.958438    3.335858    0.000574    0.001724   -0.001572
Br   -1.981477    5.880536   -0.008069    0.000424   -0.000712    0.000710
Br    1.821129    2.143274   -0.961413   -0.003844    0.004112    0.000500
Br   -1.826529    5.106677    6.861658    0.000050   -0.000058   -0.000456
Rb    1.583579    5.095098    7.138011    0.000182   -0.000092    0.000222
Br    5.006473    4.955340    7.048830   -0.000288    0.000110    0.000112
Rb   -1.751086    1.714646    6.770678    0.000192   -0.000256    0.000282
Br    1.693640    1.602422    7.205008   -0.000214    0.000196   -0.000154
Rb    5.151242    1.549014    6.947402    0.000122   -0.000142   -0.000178
Br   -1.634528   -1.730164    6.684640   -0.000096    0.000232    0.000134
Rb    1.837689   -1.897188    7.340018    0.000062   -0.000110    0.000008
Br    5.328784   -1.893528    6.898058   -0.000344    0.000162    0.000274
Rb   -1.349056   -5.047324    6.195227    0.000146   -0.000112    0.000004
Br    1.996998   -5.332827    6.508691   -0.000232    0.000200    0.000238
Rb    5.381325   -5.231537    6.394755    0.000082   -0.000094   -0.000312
Br   -1.333318   -5.018521    2.826260   -0.000712   -0.000606   -0.000834
Rb    2.299829   -5.065314    2.967447    0.000160    0.001650   -0.001456
Br    5.795026   -5.422832    3.042836    0.000290   -0.000404    0.000670
Rb   -1.094833   -4.492281   -0.618372   -0.000438   -0.000722   -0.001638
Br    2.282185   -5.222314   -0.672095   -0.002048   -0.000446   -0.000734
Rb    5.738587   -4.977236   -0.413997   -0.001132    0.001010    0.001062
Br   -1.197187   -4.498527   -4.008101   -0.000278    0.000180    0.000170
Rb    2.225447   -4.641067   -4.105145    0.000136   -0.000058    0.000164
Br    5.636039   -4.658834   -3.825940    0.000006   -0.000090   -0.000382
O     0.450234    0.340136    1.434883   -0.016402    0.037878    0.014590
H     0.993892    0.872160    0.815147    0.466384   -0.878324   -0.632826
H    -0.219949   -0.089130    0.871122   -0.102918   -0.293010    0.330324
O     3.357009    0.120853    1.606857   -0.007000    0.025446    0.016090
H     4.014002    0.471438    2.237767    0.000314   -0.364202    0.268542
H     2.891537   -0.580974    2.096566    0.205470   -0.550106   -0.470814
O     0.214998    3.444603    1.843196   -0.012926   -0.009722    0.004372
H     0.662037    4.080435    2.434909    0.370684   -0.163102   -0.100694
H    -0.459515    2.989676    2.383127    0.169936   -0.003896    0.240954
O     3.592486   -2.988243    1.192024   -0.005950   -0.003102    0.003792
H     4.307344   -2.542143    0.695803    0.154506   -0.086080    0.136930
H     3.218823   -3.658491    0.585664    0.246700   -0.153256   -0.013260
O     3.183385    3.385090    1.662718   -0.014756    0.005594    0.007728
H     3.756456    4.007966    1.179949    0.085168    0.079602    0.209800
H     2.714917    2.882369    0.966645    0.629498   -0.403598   -0.241958
O     0.620899   -2.931044    1.377646   -0.013876    0.000228    0.006196
H     1.225297   -2.494273    2.006512    0.533110   -0.177058   -0.327744
H     0.078424   -3.532808    1.920012    0.129386    0.129180    0.320044
66
* Frequency(169)  618.2200
Rb    5.171661    5.493425   -3.155234    0.000104   -0.000170   -0.000024
Rb    5.562067   -1.266950   -3.730004    0.000090   -0.000178    0.000304
Rb    5.408676   -1.937952    3.308607   -0.001652    0.000562   -0.002770
Rb    4.900800    4.947254    3.658541   -0.000172   -0.000702   -0.001144
Rb    1.957568   -1.348039   -0.695006   -0.000822    0.004642    0.003900
Rb    5.219041    1.853074   -0.105215   -0.001574    0.000784   -0.000490
Rb    1.979654    2.349417   -4.303459    0.000136   -0.000126    0.000026
Rb    1.844580    1.802690    3.734828   -0.000472    0.003398    0.003052
Rb    1.514911    5.519859    0.064751   -0.000010    0.002056   -0.001506
Rb   -1.600234    2.395339   -0.273151   -0.002564    0.000226   -0.003692
Rb   -1.558894    5.687197   -3.359840    0.000086   -0.000070   -0.000350
Rb   -1.339314   -1.092416   -3.904641    0.000088   -0.000150   -0.000168
Rb   -1.410729   -1.402940    3.145480   -0.000524    0.000564   -0.000984
Rb   -1.930914    5.433649    3.450414   -0.001270    0.001256    0.001186
Br    5.448698    2.177260   -3.644947   -0.000316    0.000276   -0.000076
Br    5.986558   -1.504580   -0.296097    0.000740    0.000992   -0.001320
Br    5.547347    1.538958    3.504559    0.000008    0.001636    0.000238
Br    5.148369    5.467524    0.213620   -0.000560   -0.000198   -0.000458
Br    1.825382    5.787522   -3.475772   -0.000328   -0.000034    0.000338
Br    2.117385   -1.148762   -4.166517   -0.000406    0.000356   -0.000154
Br    1.987491   -1.689281    3.998924   -0.002426    0.002290    0.001688
Br    1.524927    5.680795    3.705598   -0.002480   -0.000586   -0.000726
Br   -1.512696    2.349545   -3.859500   -0.000092    0.000170    0.000520
Br   -1.743291   -1.081781   -0.462413    0.000010    0.001274   -0.000934
Br   -2.169024    1.958613    3.335699    0.000574    0.001724   -0.001572
Br   -1.981434    5.880464   -0.007997    0.000424   -0.000712    0.000710
Br    1.820740    2.143691   -0.961363   -0.003844    0.004112    0.000500
Br   -1.826524    5.106672    6.861612    0.000050   -0.000058   -0.000456
Rb    1.583597    5.095088    7.138034    0.000182   -0.000092    0.000222
Br    5.006444    4.955351    7.048841   -0.000288    0.000110    0.000112
Rb   -1.751067    1.714620    6.770707    0.000192   -0.000256    0.000282
Br    1.693618    1.602442    7.204993   -0.000214    0.000196   -0.000154
Rb    5.151254    1.548999    6.947384    0.000122   -0.000142   -0.000178
Br   -1.634538   -1.730140    6.684654   -0.000096    0.000232    0.000134
Rb    1.837695   -1.897199    7.340019    0.000062   -0.000110    0.000008
Br    5.328749   -1.893511    6.898086   -0.000344    0.000162    0.000274
Rb   -1.349042   -5.047335    6.195228    0.000146   -0.000112    0.000004
Br    1.996974   -5.332807    6.508715   -0.000232    0.000200    0.000238
Rb    5.381334   -5.231546    6.394723    0.000082   -0.000094   -0.000312
Br   -1.333390   -5.018582    2.826176   -0.000712   -0.000606   -0.000834
Rb    2.299845   -5.065147    2.967299    0.000160    0.001650   -0.001456
Br    5.795055   -5.422873    3.042904    0.000290   -0.000404    0.000670
Rb   -1.094877   -4.492354   -0.618538   -0.000438   -0.000722   -0.001638
Br    2.281978   -5.222359   -0.672170   -0.002048   -0.000446   -0.000734
Rb    5.738473   -4.977134   -0.413890   -0.001132    0.001010    0.001062
Br   -1.197215   -4.498508   -4.008083   -0.000278    0.000180    0.000170
Rb    2.225461   -4.641072   -4.105129    0.000136   -0.000058    0.000164
Br    5.636039   -4.658843   -3.825979    0.000006   -0.000090   -0.000382
O     0.448572    0.343974    1.436361   -0.016402    0.037878    0.014590
H     1.041151    0.783160    0.751023    0.466384   -0.878324   -0.632826
H    -0.230378   -0.118821    0.904593   -0.102918   -0.293010    0.330324
O     3.356300    0.123431    1.608487   -0.007000    0.025446    0.016090
H     4.014034    0.434534    2.264979    0.000314   -0.364202    0.268542
H     2.912357   -0.636716    2.048859    0.205470   -0.550106   -0.470814
O     0.213688    3.443618    1.843639   -0.012926   -0.009722    0.004372
H     0.699599    4.063908    2.424705    0.370684   -0.163102   -0.100694
H    -0.442295    2.989281    2.407543    0.169936   -0.003896    0.240954
O     3.591883   -2.988557    1.192408   -0.005950   -0.003102    0.003792
H     4.323000   -2.550865    0.709678    0.154506   -0.086080    0.136930
H     3.243821   -3.674020    0.584320    0.246700   -0.153256   -0.013260
O     3.181890    3.385657    1.663501   -0.014756    0.005594    0.007728
H     3.765086    4.016032    1.201208    0.085168    0.079602    0.209800
H     2.778704    2.841473    0.942127    0.629498   -0.403598   -0.241958
O     0.619493   -2.931021    1.378274   -0.013876    0.000228    0.006196
H     1.279317   -2.512214    1.973301    0.533110   -0.177058   -0.327744
H     0.091535   -3.519719    1.952442    0.129386    0.129180    0.320044
66
* Frequency(169)  618.2200
Rb    5.171669    5.493412   -3.155236    0.000104   -0.000170   -0.000024
Rb    5.562074   -1.266964   -3.729980    0.000090   -0.000178    0.000304
Rb    5.408547   -1.937908    3.308390   -0.001652    0.000562   -0.002770
Rb    4.900787    4.947199    3.658452   -0.000172   -0.000702   -0.001144
Rb    1.957504   -1.347677   -0.694701   -0.000822    0.004642    0.003900
Rb    5.218918    1.853135   -0.105254   -0.001574    0.000784   -0.000490
Rb    1.979665    2.349407   -4.303457    0.000136   -0.000126    0.000026
Rb    1.844543    1.802956    3.735066   -0.000472    0.003398    0.003052
Rb    1.514910    5.520019    0.064634   -0.000010    0.002056   -0.001506
Rb   -1.600434    2.395356   -0.273439   -0.002564    0.000226   -0.003692
Rb   -1.558887    5.687191   -3.359868    0.000086   -0.000070   -0.000350
Rb   -1.339307   -1.092428   -3.904654    0.000088   -0.000150   -0.000168
Rb   -1.410770   -1.402896    3.145404   -0.000524    0.000564   -0.000984
Rb   -1.931013    5.433747    3.450507   -0.001270    0.001256    0.001186
Br    5.448673    2.177282   -3.644953   -0.000316    0.000276   -0.000076
Br    5.986616   -1.504502   -0.296200    0.000740    0.000992   -0.001320
Br    5.547347    1.539085    3.504578    0.000008    0.001636    0.000238
Br    5.148325    5.467509    0.213584   -0.000560   -0.000198   -0.000458
Br    1.825357    5.787519   -3.475746   -0.000328   -0.000034    0.000338
Br    2.117353   -1.148735   -4.166529   -0.000406    0.000356   -0.000154
Br    1.987302   -1.689102    3.999056   -0.002426    0.002290    0.001688
Br    1.524733    5.680749    3.705541   -0.002480   -0.000586   -0.000726
Br   -1.512703    2.349558   -3.859460   -0.000092    0.000170    0.000520
Br   -1.743290   -1.081682   -0.462486    0.000010    0.001274   -0.000934
Br   -2.168979    1.958747    3.335576    0.000574    0.001724   -0.001572
Br   -1.981401    5.880408   -0.007942    0.000424   -0.000712    0.000710
Br    1.820440    2.144012   -0.961323   -0.003844    0.004112    0.000500
Br   -1.826520    5.106667    6.861576    0.000050   -0.000058   -0.000456
Rb    1.583611    5.095081    7.138051    0.000182   -0.000092    0.000222
Br    5.006422    4.955359    7.048850   -0.000288    0.000110    0.000112
Rb   -1.751052    1.714600    6.770729    0.000192   -0.000256    0.000282
Br    1.693601    1.602457    7.204981   -0.000214    0.000196   -0.000154
Rb    5.151264    1.548988    6.947370    0.000122   -0.000142   -0.000178
Br   -1.634545   -1.730122    6.684664   -0.000096    0.000232    0.000134
Rb    1.837700   -1.897207    7.340019    0.000062   -0.000110    0.000008
Br    5.328722   -1.893499    6.898107   -0.000344    0.000162    0.000274
Rb   -1.349030   -5.047344    6.195228    0.000146   -0.000112    0.000004
Br    1.996956   -5.332791    6.508734   -0.000232    0.000200    0.000238
Rb    5.381340   -5.231554    6.394699    0.000082   -0.000094   -0.000312
Br   -1.333446   -5.018630    2.826111   -0.000712   -0.000606   -0.000834
Rb    2.299858   -5.065019    2.967185    0.000160    0.001650   -0.001456
Br    5.795078   -5.422904    3.042956    0.000290   -0.000404    0.000670
Rb   -1.094911   -4.492411   -0.618666   -0.000438   -0.000722   -0.001638
Br    2.281818   -5.222394   -0.672227   -0.002048   -0.000446   -0.000734
Rb    5.738384   -4.977055   -0.413807   -0.001132    0.001010    0.001062
Br   -1.197236   -4.498494   -4.008070   -0.000278    0.000180    0.000170
Rb    2.225472   -4.641077   -4.105116    0.000136   -0.000058    0.000164
Br    5.636040   -4.658850   -3.826009    0.000006   -0.000090   -0.000382
O     0.447292    0.346930    1.437500   -0.016402    0.037878    0.014590
H     1.077544    0.714621    0.701641    0.466384   -0.878324   -0.632826
H    -0.238409   -0.141685    0.930370   -0.102918   -0.293010    0.330324
O     3.355754    0.125417    1.609743   -0.007000    0.025446    0.016090
H     4.014058    0.406114    2.285934    0.000314   -0.364202    0.268542
H     2.928390   -0.679643    2.012120    0.205470   -0.550106   -0.470814
O     0.212680    3.442859    1.843980   -0.012926   -0.009722    0.004372
H     0.728524    4.051181    2.416848    0.370684   -0.163102   -0.100694
H    -0.429034    2.988977    2.426346    0.169936   -0.003896    0.240954
O     3.591419   -2.988799    1.192704   -0.005950   -0.003102    0.003792
H     4.335057   -2.557582    0.720364    0.154506   -0.086080    0.136930
H     3.263072   -3.685979    0.583286    0.246700   -0.153256   -0.013260
O     3.180738    3.386093    1.664104   -0.014756    0.005594    0.007728
H     3.771732    4.022244    1.217579    0.085168    0.079602    0.209800
H     2.827826    2.809978    0.923246    0.629498   -0.403598   -0.241958
O     0.618410   -2.931003    1.378757   -0.013876    0.000228    0.006196
H     1.320918   -2.526030    1.947726    0.533110   -0.177058   -0.327744
H     0.101631   -3.509638    1.977417    0.129386    0.129180    0.320044
66
* Frequency(169)  618.2200
Rb    5.171674    5.493404   -3.155237    0.000104   -0.000170   -0.000024
Rb    5.562079   -1.266972   -3.729966    0.000090   -0.000178    0.000304
Rb    5.408470   -1.937882    3.308262   -0.001652    0.000562   -0.002770
Rb    4.900779    4.947167    3.658399   -0.000172   -0.000702   -0.001144
Rb    1.957466   -1.347462   -0.694521   -0.000822    0.004642    0.003900
Rb    5.218845    1.853171   -0.105276   -0.001574    0.000784   -0.000490
Rb    1.979671    2.349401   -4.303456    0.000136   -0.000126    0.000026
Rb    1.844521    1.803113    3.735208   -0.000472    0.003398    0.003052
Rb    1.514910    5.520115    0.064564   -0.000010    0.002056   -0.001506
Rb   -1.600553    2.395367   -0.273610   -0.002564    0.000226   -0.003692
Rb   -1.558883    5.687188   -3.359884    0.000086   -0.000070   -0.000350
Rb   -1.339303   -1.092435   -3.904662    0.000088   -0.000150   -0.000168
Rb   -1.410794   -1.402870    3.145358   -0.000524    0.000564   -0.000984
Rb   -1.931072    5.433805    3.450561   -0.001270    0.001256    0.001186
Br    5.448659    2.177295   -3.644957   -0.000316    0.000276   -0.000076
Br    5.986650   -1.504456   -0.296261    0.000740    0.000992   -0.001320
Br    5.547348    1.539161    3.504589    0.000008    0.001636    0.000238
Br    5.148299    5.467500    0.213563   -0.000560   -0.000198   -0.000458
Br    1.825342    5.787517   -3.475730   -0.000328   -0.000034    0.000338
Br    2.117334   -1.148718   -4.166536   -0.000406    0.000356   -0.000154
Br    1.987190   -1.688996    3.999134   -0.002426    0.002290    0.001688
Br    1.524619    5.680722    3.705508   -0.002480   -0.000586   -0.000726
Br   -1.512707    2.349566   -3.859436   -0.000092    0.000170    0.000520
Br   -1.743290   -1.081623   -0.462529    0.000010    0.001274   -0.000934
Br   -2.168952    1.958827    3.335504    0.000574    0.001724   -0.001572
Br   -1.981381    5.880375   -0.007909    0.000424   -0.000712    0.000710
Br    1.820262    2.144202   -0.961300   -0.003844    0.004112    0.000500
Br   -1.826518    5.106664    6.861555    0.000050   -0.000058   -0.000456
Rb    1.583620    5.095077    7.138061    0.000182   -0.000092    0.000222
Br    5.006408    4.955364    7.048855   -0.000288    0.000110    0.000112
Rb   -1.751043    1.714588    6.770742    0.000192   -0.000256    0.000282
Br    1.693591    1.602467    7.204974   -0.000214    0.000196   -0.000154
Rb    5.151269    1.548982    6.947362    0.000122   -0.000142   -0.000178
Br   -1.634550   -1.730111    6.684670   -0.000096    0.000232    0.000134
Rb    1.837703   -1.897212    7.340020    0.000062   -0.000110    0.000008
Br    5.328706   -1.893491    6.898120   -0.000344    0.000162    0.000274
Rb   -1.349023   -5.047349    6.195228    0.000146   -0.000112    0.000004
Br    1.996945   -5.332782    6.508745   -0.000232    0.000200    0.000238
Rb    5.381344   -5.231558    6.394684    0.000082   -0.000094   -0.000312
Br   -1.333479   -5.018658    2.826072   -0.000712   -0.000606   -0.000834
Rb    2.299865   -5.064942    2.967118    0.000160    0.001650   -0.001456
Br    5.795091   -5.422923    3.042987    0.000290   -0.000404    0.000670
Rb   -1.094932   -4.492444   -0.618742   -0.000438   -0.000722   -0.001638
Br    2.281723   -5.222414   -0.672261   -0.002048   -0.000446   -0.000734
Rb    5.738332   -4.977008   -0.413758   -0.001132    0.001010    0.001062
Br   -1.197249   -4.498486   -4.008062   -0.000278    0.000180    0.000170
Rb    2.225478   -4.641080   -4.105108    0.000136   -0.000058    0.000164
Br    5.636040   -4.658855   -3.826027    0.000006   -0.000090   -0.000382
O     0.446533    0.348683    1.438175   -0.016402    0.037878    0.014590
H     1.099129    0.673970    0.672352    0.466384   -0.878324   -0.632826
H    -0.243172   -0.155246    0.945658   -0.102918   -0.293010    0.330324
O     3.355430    0.126595    1.610487   -0.007000    0.025446    0.016090
H     4.014073    0.389258    2.298363    0.000314   -0.364202    0.268542
H     2.937900   -0.705103    1.990329    0.205470   -0.550106   -0.470814
O     0.212081    3.442409    1.844182   -0.012926   -0.009722    0.004372
H     0.745680    4.043632    2.412188    0.370684   -0.163102   -0.100694
H    -0.421169    2.988797    2.437497    0.169936   -0.003896    0.240954
O     3.591143   -2.988942    1.192880   -0.005950   -0.003102    0.003792
H     4.342207   -2.561566    0.726701    0.154506   -0.086080    0.136930
H     3.274490   -3.693072    0.582672    0.246700   -0.153256   -0.013260
O     3.180055    3.386352    1.664462   -0.014756    0.005594    0.007728
H     3.775674    4.025928    1.227289    0.085168    0.079602    0.209800
H     2.856960    2.791299    0.912048    0.629498   -0.403598   -0.241958
O     0.617768   -2.930993    1.379044   -0.013876    0.000228    0.006196
H     1.345591   -2.534225    1.932558    0.533110   -0.177058   -0.327744
H     0.107619   -3.503660    1.992229    0.129386    0.129180    0.320044
66
* Frequency(169)  618.2200
Rb    5.171675    5.493403   -3.155237    0.000104   -0.000170   -0.000024
Rb    5.562079   -1.266974   -3.729963    0.000090   -0.000178    0.000304
Rb    5.408455   -1.937877    3.308236   -0.001652    0.000562   -0.002770
Rb    4.900777    4.947160    3.658388   -0.000172   -0.000702   -0.001144
Rb    1.957458   -1.347418   -0.694484   -0.000822    0.004642    0.003900
Rb    5.218830    1.853178   -0.105281   -0.001574    0.000784   -0.000490
Rb    1.979672    2.349400   -4.303456    0.000136   -0.000126    0.000026
Rb    1.844516    1.803145    3.735237   -0.000472    0.003398    0.003052
Rb    1.514910    5.520134    0.064550   -0.000010    0.002056   -0.001506
Rb   -1.600577    2.395369   -0.273645   -0.002564    0.000226   -0.003692
Rb   -1.558882    5.687188   -3.359887    0.000086   -0.000070   -0.000350
Rb   -1.339302   -1.092436   -3.904664    0.000088   -0.000150   -0.000168
Rb   -1.410799   -1.402864    3.145349   -0.000524    0.000564   -0.000984
Rb   -1.931084    5.433817    3.450573   -0.001270    0.001256    0.001186
Br    5.448656    2.177297   -3.644958   -0.000316    0.000276   -0.000076
Br    5.986657   -1.504447   -0.296273    0.000740    0.000992   -0.001320
Br    5.547348    1.539177    3.504591    0.000008    0.001636    0.000238
Br    5.148294    5.467498    0.213558   -0.000560   -0.000198   -0.000458
Br    1.825339    5.787517   -3.475727   -0.000328   -0.000034    0.000338
Br    2.117330   -1.148715   -4.166538   -0.000406    0.000356   -0.000154
Br    1.987167   -1.688974    3.999150   -0.002426    0.002290    0.001688
Br    1.524595    5.680717    3.705501   -0.002480   -0.000586   -0.000726
Br   -1.512708    2.349567   -3.859431   -0.000092    0.000170    0.000520
Br   -1.743290   -1.081611   -0.462538    0.000010    0.001274   -0.000934
Br   -2.168947    1.958843    3.335489    0.000574    0.001724   -0.001572
Br   -1.981377    5.880369   -0.007902    0.000424   -0.000712    0.000710
Br    1.820225    2.144241   -0.961296   -0.003844    0.004112    0.000500
Br   -1.826518    5.106664    6.861551    0.000050   -0.000058   -0.000456
Rb    1.583621    5.095076    7.138063    0.000182   -0.000092    0.000222
Br    5.006406    4.955365    7.048856   -0.000288    0.000110    0.000112
Rb   -1.751041    1.714586    6.770744    0.000192   -0.000256    0.000282
Br    1.693589    1.602468    7.204972   -0.000214    0.000196   -0.000154
Rb    5.151271    1.548980    6.947360    0.000122   -0.000142   -0.000178
Br   -1.634550   -1.730109    6.684672   -0.000096    0.000232    0.000134
Rb    1.837704   -1.897213    7.340020    0.000062   -0.000110    0.000008
Br    5.328703   -1.893489    6.898123   -0.000344    0.000162    0.000274
Rb   -1.349022   -5.047350    6.195228    0.000146   -0.000112    0.000004
Br    1.996943   -5.332780    6.508747   -0.000232    0.000200    0.000238
Rb    5.381345   -5.231559    6.394681    0.000082   -0.000094   -0.000312
Br   -1.333485   -5.018663    2.826064   -0.000712   -0.000606   -0.000834
Rb    2.299867   -5.064926    2.967104    0.000160    0.001650   -0.001456
Br    5.795094   -5.422927    3.042994    0.000290   -0.000404    0.000670
Rb   -1.094936   -4.492451   -0.618757   -0.000438   -0.000722   -0.001638
Br    2.281704   -5.222419   -0.672268   -0.002048   -0.000446   -0.000734
Rb    5.738321   -4.976999   -0.413748   -0.001132    0.001010    0.001062
Br   -1.197252   -4.498484   -4.008061   -0.000278    0.000180    0.000170
Rb    2.225479   -4.641080   -4.105107    0.000136   -0.000058    0.000164
Br    5.636040   -4.658855   -3.826030    0.000006   -0.000090   -0.000382
O     0.446377    0.349043    1.438314   -0.016402    0.037878    0.014590
H     1.103567    0.665614    0.666331    0.466384   -0.878324   -0.632826
H    -0.244151   -0.158034    0.948801   -0.102918   -0.293010    0.330324
O     3.355363    0.126837    1.610640   -0.007000    0.025446    0.016090
H     4.014076    0.385793    2.300918    0.000314   -0.364202    0.268542
H     2.939855   -0.710336    1.985850    0.205470   -0.550106   -0.470814
O     0.211958    3.442317    1.844224   -0.012926   -0.009722    0.004372
H     0.749207    4.042080    2.411229    0.370684   -0.163102   -0.100694
H    -0.419553    2.988760    2.439790    0.169936   -0.003896    0.240954
O     3.591087   -2.988972    1.192916   -0.005950   -0.003102    0.003792
H     4.343677   -2.562385    0.728004    0.154506   -0.086080    0.136930
H     3.276837   -3.694530    0.582546    0.246700   -0.153256   -0.013260
O     3.179915    3.386405    1.664536   -0.014756    0.005594    0.007728
H     3.776484    4.026686    1.229285    0.085168    0.079602    0.209800
H     2.862950    2.787459    0.909746    0.629498   -0.403598   -0.241958
O     0.617636   -2.930990    1.379103   -0.013876    0.000228    0.006196
H     1.350663   -2.535910    1.929439    0.533110   -0.177058   -0.327744
H     0.108850   -3.502430    1.995274    0.129386    0.129180    0.320044
66
* Frequency(169)  618.2200
Rb    5.171672    5.493408   -3.155237    0.000104   -0.000170   -0.000024
Rb    5.562077   -1.266969   -3.729972    0.000090   -0.000178    0.000304
Rb    5.408501   -1.937893    3.308314   -0.001652    0.000562   -0.002770
Rb    4.900782    4.947180    3.658420   -0.000172   -0.000702   -0.001144
Rb    1.957482   -1.347549   -0.694594   -0.000822    0.004642    0.003900
Rb    5.218875    1.853156   -0.105267   -0.001574    0.000784   -0.000490
Rb    1.979669    2.349404   -4.303457    0.000136   -0.000126    0.000026
Rb    1.844530    1.803049    3.735150   -0.000472    0.003398    0.003052
Rb    1.514910    5.520076    0.064592   -0.000010    0.002056   -0.001506
Rb   -1.600505    2.395362   -0.273540   -0.002564    0.000226   -0.003692
Rb   -1.558884    5.687190   -3.359877    0.000086   -0.000070   -0.000350
Rb   -1.339305   -1.092432   -3.904659    0.000088   -0.000150   -0.000168
Rb   -1.410784   -1.402880    3.145377   -0.000524    0.000564   -0.000984
Rb   -1.931048    5.433782    3.450539   -0.001270    0.001256    0.001186
Br    5.448665    2.177289   -3.644955   -0.000316    0.000276   -0.000076
Br    5.986636   -1.504475   -0.296236    0.000740    0.000992   -0.001320
Br    5.547348    1.539130    3.504584    0.000008    0.001636    0.000238
Br    5.148310    5.467504    0.213571   -0.000560   -0.000198   -0.000458
Br    1.825348    5.787518   -3.475737   -0.000328   -0.000034    0.000338
Br    2.117342   -1.148725   -4.166533   -0.000406    0.000356   -0.000154
Br    1.987235   -1.689039    3.999102   -0.002426    0.002290    0.001688
Br    1.524665    5.680733    3.705521   -0.002480   -0.000586   -0.000726
Br   -1.512705    2.349562   -3.859445   -0.000092    0.000170    0.000520
Br   -1.743290   -1.081647   -0.462511    0.000010    0.001274   -0.000934
Br   -2.168963    1.958795    3.335533    0.000574    0.001724   -0.001572
Br   -1.981389    5.880389   -0.007922    0.000424   -0.000712    0.000710
Br    1.820334    2.144125   -0.961310   -0.003844    0.004112    0.000500
Br   -1.826519    5.106665    6.861564    0.000050   -0.000058   -0.000456
Rb    1.583616    5.095079    7.138057    0.000182   -0.000092    0.000222
Br    5.006414    4.955362    7.048853   -0.000288    0.000110    0.000112
Rb   -1.751046    1.714593    6.770736    0.000192   -0.000256    0.000282
Br    1.693595    1.602463    7.204977   -0.000214    0.000196   -0.000154
Rb    5.151267    1.548984    6.947365    0.000122   -0.000142   -0.000178
Br   -1.634548   -1.730116    6.684668   -0.000096    0.000232    0.000134
Rb    1.837702   -1.897210    7.340020    0.000062   -0.000110    0.000008
Br    5.328713   -1.893494    6.898115   -0.000344    0.000162    0.000274
Rb   -1.349026   -5.047347    6.195228    0.000146   -0.000112    0.000004
Br    1.996950   -5.332786    6.508740   -0.000232    0.000200    0.000238
Rb    5.381342   -5.231556    6.394690    0.000082   -0.000094   -0.000312
Br   -1.333465   -5.018646    2.826088   -0.000712   -0.000606   -0.000834
Rb    2.299862   -5.064973    2.967145    0.000160    0.001650   -0.001456
Br    5.795086   -5.422915    3.042975    0.000290   -0.000404    0.000670
Rb   -1.094923   -4.492430   -0.618711   -0.000438   -0.000722   -0.001638
Br    2.281762   -5.222406   -0.672247   -0.002048   -0.000446   -0.000734
Rb    5.738353   -4.977027   -0.413778   -0.001132    0.001010    0.001062
Br   -1.197244   -4.498489   -4.008066   -0.000278    0.000180    0.000170
Rb    2.225476   -4.641079   -4.105111    0.000136   -0.000058    0.000164
Br    5.636040   -4.658853   -3.826019    0.000006   -0.000090   -0.000382
O     0.446841    0.347972    1.437901   -0.016402    0.037878    0.014590
H     1.090376    0.690456    0.684230    0.466384   -0.878324   -0.632826
H    -0.241240   -0.149747    0.939458   -0.102918   -0.293010    0.330324
O     3.355561    0.126117    1.610185   -0.007000    0.025446    0.016090
H     4.014067    0.396094    2.293322    0.000314   -0.364202    0.268542
H     2.934043   -0.694777    1.999166    0.205470   -0.550106   -0.470814
O     0.212324    3.442592    1.844100   -0.012926   -0.009722    0.004372
H     0.738723    4.046693    2.414077    0.370684   -0.163102   -0.100694
H    -0.424359    2.988870    2.432975    0.169936   -0.003896    0.240954
O     3.591255   -2.988884    1.192808   -0.005950   -0.003102    0.003792
H     4.339307   -2.559950    0.724131    0.154506   -0.086080    0.136930
H     3.269859   -3.690196    0.582921    0.246700   -0.153256   -0.013260
O     3.180332    3.386247    1.664317   -0.014756    0.005594    0.007728
H     3.774075    4.024434    1.223351    0.085168    0.079602    0.209800
H     2.845145    2.798875    0.916589    0.629498   -0.403598   -0.241958
O     0.618028   -2.930997    1.378928   -0.013876    0.000228    0.006196
H     1.335585   -2.530902    1.938709    0.533110   -0.177058   -0.327744
H     0.105191   -3.506084    1.986222    0.129386    0.129180    0.320044
66
* Frequency(169)  618.2200
Rb    5.171666    5.493418   -3.155235    0.000104   -0.000170   -0.000024
Rb    5.562071   -1.266958   -3.729991    0.000090   -0.000178    0.000304
Rb    5.408606   -1.937928    3.308489   -0.001652    0.000562   -0.002770
Rb    4.900793    4.947224    3.658492   -0.000172   -0.000702   -0.001144
Rb    1.957533   -1.347842   -0.694840   -0.000822    0.004642    0.003900
Rb    5.218974    1.853107   -0.105236   -0.001574    0.000784   -0.000490
Rb    1.979660    2.349412   -4.303458    0.000136   -0.000126    0.000026
Rb    1.844559    1.802835    3.734958   -0.000472    0.003398    0.003052
Rb    1.514910    5.519946    0.064687   -0.000010    0.002056   -0.001506
Rb   -1.600343    2.395348   -0.273308   -0.002564    0.000226   -0.003692
Rb   -1.558890    5.687194   -3.359855    0.000086   -0.000070   -0.000350
Rb   -1.339310   -1.092423   -3.904648    0.000088   -0.000150   -0.000168
Rb   -1.410751   -1.402916    3.145439   -0.000524    0.000564   -0.000984
Rb   -1.930968    5.433702    3.450464   -0.001270    0.001256    0.001186
Br    5.448685    2.177272   -3.644951   -0.000316    0.000276   -0.000076
Br    5.986590   -1.504538   -0.296153    0.000740    0.000992   -0.001320
Br    5.547347    1.539027    3.504569    0.000008    0.001636    0.000238
Br    5.148345    5.467516    0.213600   -0.000560   -0.000198   -0.000458
Br    1.825369    5.787520   -3.475758   -0.000328   -0.000034    0.000338
Br    2.117367   -1.148747   -4.166524   -0.000406    0.000356   -0.000154
Br    1.987388   -1.689183    3.998996   -0.002426    0.002290    0.001688
Br    1.524821    5.680770    3.705567   -0.002480   -0.000586   -0.000726
Br   -1.512700    2.349552   -3.859478   -0.000092    0.000170    0.000520
Br   -1.743290   -1.081727   -0.462453    0.000010    0.001274   -0.000934
Br   -2.168999    1.958686    3.335632    0.000574    0.001724   -0.001572
Br   -1.981416    5.880434   -0.007967    0.000424   -0.000712    0.000710
Br    1.820576    2.143866   -0.961341   -0.003844    0.004112    0.000500
Br   -1.826522    5.106669    6.861593    0.000050   -0.000058   -0.000456
Rb    1.583605    5.095084    7.138043    0.000182   -0.000092    0.000222
Br    5.006432    4.955355    7.048846   -0.000288    0.000110    0.000112
Rb   -1.751059    1.714609    6.770719    0.000192   -0.000256    0.000282
Br    1.693609    1.602450    7.204986   -0.000214    0.000196   -0.000154
Rb    5.151259    1.548993    6.947376    0.000122   -0.000142   -0.000178
Br   -1.634542   -1.730130    6.684660   -0.000096    0.000232    0.000134
Rb    1.837698   -1.897203    7.340019    0.000062   -0.000110    0.000008
Br    5.328734   -1.893504    6.898098   -0.000344    0.000162    0.000274
Rb   -1.349035   -5.047340    6.195228    0.000146   -0.000112    0.000004
Br    1.996964   -5.332798    6.508725   -0.000232    0.000200    0.000238
Rb    5.381337   -5.231550    6.394710    0.000082   -0.000094   -0.000312
Br   -1.333420   -5.018608    2.826140   -0.000712   -0.000606   -0.000834
Rb    2.299852   -5.065077    2.967237    0.000160    0.001650   -0.001456
Br    5.795068   -5.422890    3.042933    0.000290   -0.000404    0.000670
Rb   -1.094896   -4.492385   -0.618608   -0.000438   -0.000722   -0.001638
Br    2.281891   -5.222378   -0.672201   -0.002048   -0.000446   -0.000734
Rb    5.738425   -4.977091   -0.413845   -0.001132    0.001010    0.001062
Br   -1.197227   -4.498501   -4.008076   -0.000278    0.000180    0.000170
Rb    2.225467   -4.641075   -4.105122    0.000136   -0.000058    0.000164
Br    5.636040   -4.658847   -3.825995    0.000006   -0.000090   -0.000382
O     0.447874    0.345585    1.436982   -0.016402    0.037878    0.014590
H     1.060985    0.745806    0.724109    0.466384   -0.878324   -0.632826
H    -0.234755   -0.131282    0.918642   -0.102918   -0.293010    0.330324
O     3.356002    0.124513    1.609171   -0.007000    0.025446    0.016090
H     4.014047    0.419045    2.276399    0.000314   -0.364202    0.268542
H     2.921095   -0.660111    2.028836    0.205470   -0.550106   -0.470814
O     0.213139    3.443205    1.843825   -0.012926   -0.009722    0.004372
H     0.715363    4.056972    2.420423    0.370684   -0.163102   -0.100694
H    -0.435068    2.989116    2.417790    0.169936   -0.003896    0.240954
O     3.591630   -2.988689    1.192569   -0.005950   -0.003102    0.003792
H     4.329571   -2.554526    0.715502    0.154506   -0.086080    0.136930
H     3.254313   -3.680538    0.583757    0.246700   -0.153256   -0.013260
O     3.181262    3.385894    1.663830   -0.014756    0.005594    0.007728
H     3.768708    4.019418    1.210130    0.085168    0.079602    0.209800
H     2.805476    2.824308    0.931837    0.629498   -0.403598   -0.241958
O     0.618903   -2.931011    1.378537   -0.013876    0.000228    0.006196
H     1.301990   -2.519744    1.959363    0.533110   -0.177058   -0.327744
H     0.097037   -3.514225    1.966053    0.129386    0.129180    0.320044
66
* Frequency(169)  618.2200
Rb    5.171656    5.493434   -3.155233    0.000104   -0.000170   -0.000024
Rb    5.562063   -1.266942   -3.730018    0.000090   -0.000178    0.000304
Rb    5.408756   -1.937979    3.308741   -0.001652    0.000562   -0.002770
Rb    4.900808    4.947288    3.658596   -0.000172   -0.000702   -0.001144
Rb    1.957608   -1.348264   -0.695194   -0.000822    0.004642    0.003900
Rb    5.219117    1.853036   -0.105192   -0.001574    0.000784   -0.000490
Rb    1.979648    2.349423   -4.303461    0.000136   -0.000126    0.000026
Rb    1.844602    1.802526    3.734680   -0.000472    0.003398    0.003052
Rb    1.514911    5.519759    0.064824   -0.000010    0.002056   -0.001506
Rb   -1.600110    2.395328   -0.272972   -0.002564    0.000226   -0.003692
Rb   -1.558898    5.687200   -3.359823    0.000086   -0.000070   -0.000350
Rb   -1.339318   -1.092409   -3.904633    0.000088   -0.000150   -0.000168
Rb   -1.410703   -1.402967    3.145528   -0.000524    0.000564   -0.000984
Rb   -1.930853    5.433588    3.450357   -0.001270    0.001256    0.001186
Br    5.448713    2.177247   -3.644944   -0.000316    0.000276   -0.000076
Br    5.986522   -1.504628   -0.296033    0.000740    0.000992   -0.001320
Br    5.547346    1.538879    3.504548    0.000008    0.001636    0.000238
Br    5.148396    5.467534    0.213642   -0.000560   -0.000198   -0.000458
Br    1.825398    5.787523   -3.475789   -0.000328   -0.000034    0.000338
Br    2.117404   -1.148780   -4.166510   -0.000406    0.000356   -0.000154
Br    1.987609   -1.689392    3.998842   -0.002426    0.002290    0.001688
Br    1.525047    5.680823    3.705633   -0.002480   -0.000586   -0.000726
Br   -1.512691    2.349536   -3.859525   -0.000092    0.000170    0.000520
Br   -1.743291   -1.081843   -0.462368    0.000010    0.001274   -0.000934
Br   -2.169051    1.958529    3.335775    0.000574    0.001724   -0.001572
Br   -1.981454    5.880498   -0.008032    0.000424   -0.000712    0.000710
Br    1.820926    2.143492   -0.961387   -0.003844    0.004112    0.000500
Br   -1.826527    5.106674    6.861634    0.000050   -0.000058   -0.000456
Rb    1.583588    5.095093    7.138023    0.000182   -0.000092    0.000222
Br    5.006458    4.955345    7.048836   -0.000288    0.000110    0.000112
Rb   -1.751076    1.714632    6.770693    0.000192   -0.000256    0.000282
Br    1.693628    1.602433    7.205000   -0.000214    0.000196   -0.000154
Rb    5.151248    1.549006    6.947392    0.000122   -0.000142   -0.000178
Br   -1.634533   -1.730151    6.684647   -0.000096    0.000232    0.000134
Rb    1.837692   -1.897193    7.340018    0.000062   -0.000110    0.000008
Br    5.328766   -1.893519    6.898073   -0.000344    0.000162    0.000274
Rb   -1.349049   -5.047330    6.195228    0.000146   -0.000112    0.000004
Br    1.996985   -5.332817    6.508704   -0.000232    0.000200    0.000238
Rb    5.381330   -5.231542    6.394738    0.000082   -0.000094   -0.000312
Br   -1.333356   -5.018553    2.826216   -0.000712   -0.000606   -0.000834
Rb    2.299838   -5.065227    2.967369    0.000160    0.001650   -0.001456
Br    5.795041   -5.422853    3.042872    0.000290   -0.000404    0.000670
Rb   -1.094856   -4.492319   -0.618459   -0.000438   -0.000722   -0.001638
Br    2.282077   -5.222337   -0.672134   -0.002048   -0.000446   -0.000734
Rb    5.738527   -4.977183   -0.413941   -0.001132    0.001010    0.001062
Br   -1.197201   -4.498517   -4.008092   -0.000278    0.000180    0.000170
Rb    2.225455   -4.641070   -4.105137    0.000136   -0.000058    0.000164
Br    5.636039   -4.658839   -3.825961    0.000006   -0.000090   -0.000382
O     0.449366    0.342141    1.435655   -0.016402    0.037878    0.014590
H     1.018581    0.825664    0.781647    0.466384   -0.878324   -0.632826
H    -0.225397   -0.104641    0.888608   -0.102918   -0.293010    0.330324
O     3.356639    0.122200    1.607708   -0.007000    0.025446    0.016090
H     4.014018    0.452159    2.251983    0.000314   -0.364202    0.268542
H     2.902414   -0.610095    2.071643    0.205470   -0.550106   -0.470814
O     0.214314    3.444088    1.843427   -0.012926   -0.009722    0.004372
H     0.681660    4.071801    2.429578    0.370684   -0.163102   -0.100694
H    -0.450519    2.989470    2.395882    0.169936   -0.003896    0.240954
O     3.592171   -2.988407    1.192225   -0.005950   -0.003102    0.003792
H     4.315523   -2.546699    0.703052    0.154506   -0.086080    0.136930
H     3.231883   -3.666604    0.584962    0.246700   -0.153256   -0.013260
O     3.182604    3.385386    1.663127   -0.014756    0.005594    0.007728
H     3.760964    4.012180    1.191055    0.085168    0.079602    0.209800
H     2.748241    2.861004    0.953836    0.629498   -0.403598   -0.241958
O     0.620165   -2.931032    1.377974   -0.013876    0.000228    0.006196
H     1.253518   -2.503646    1.989162    0.533110   -0.177058   -0.327744
H     0.085273   -3.525970    1.936954    0.129386    0.129180    0.320044
66
* Frequency(169)  618.2200
Rb    5.171645    5.493452   -3.155230    0.000104   -0.000170   -0.000024
Rb    5.562053   -1.266922   -3.730051    0.000090   -0.000178    0.000304
Rb    5.408936   -1.938041    3.309042   -0.001652    0.000562   -0.002770
Rb    4.900827    4.947365    3.658721   -0.000172   -0.000702   -0.001144
Rb    1.957698   -1.348770   -0.695619   -0.000822    0.004642    0.003900
Rb    5.219288    1.852950   -0.105138   -0.001574    0.000784   -0.000490
Rb    1.979633    2.349437   -4.303464    0.000136   -0.000126    0.000026
Rb    1.844654    1.802156    3.734348   -0.000472    0.003398    0.003052
Rb    1.514912    5.519535    0.064988   -0.000010    0.002056   -0.001506
Rb   -1.599831    2.395303   -0.272570   -0.002564    0.000226   -0.003692
Rb   -1.558907    5.687208   -3.359785    0.000086   -0.000070   -0.000350
Rb   -1.339328   -1.092393   -3.904615    0.000088   -0.000150   -0.000168
Rb   -1.410646   -1.403029    3.145635   -0.000524    0.000564   -0.000984
Rb   -1.930714    5.433451    3.450227   -0.001270    0.001256    0.001186
Br    5.448748    2.177217   -3.644935   -0.000316    0.000276   -0.000076
Br    5.986442   -1.504736   -0.295889    0.000740    0.000992   -0.001320
Br    5.547345    1.538700    3.504522    0.000008    0.001636    0.000238
Br    5.148457    5.467556    0.213692   -0.000560   -0.000198   -0.000458
Br    1.825434    5.787527   -3.475826   -0.000328   -0.000034    0.000338
Br    2.117449   -1.148818   -4.166493   -0.000406    0.000356   -0.000154
Br    1.987873   -1.689641    3.998658   -0.002426    0.002290    0.001688
Br    1.525317    5.680887    3.705712   -0.002480   -0.000586   -0.000726
Br   -1.512681    2.349518   -3.859582   -0.000092    0.000170    0.000520
Br   -1.743292   -1.081982   -0.462266    0.000010    0.001274   -0.000934
Br   -2.169114    1.958341    3.335946    0.000574    0.001724   -0.001572
Br   -1.981501    5.880576   -0.008109    0.000424   -0.000712    0.000710
Br    1.821345    2.143044   -0.961441   -0.003844    0.004112    0.000500
Br   -1.826532    5.106681    6.861684    0.000050   -0.000058   -0.000456
Rb    1.583568    5.095103    7.137999    0.000182   -0.000092    0.000222
Br    5.006489    4.955333    7.048823   -0.000288    0.000110    0.000112
Rb   -1.751097    1.714660    6.770662    0.000192   -0.000256    0.000282
Br    1.693652    1.602411    7.205017   -0.000214    0.000196   -0.000154
Rb    5.151235    1.549022    6.947412    0.000122   -0.000142   -0.000178
Br   -1.634523   -1.730177    6.684633   -0.000096    0.000232    0.000134
Rb    1.837686   -1.897181    7.340017    0.000062   -0.000110    0.000008
Br    5.328803   -1.893537    6.898043   -0.000344    0.000162    0.000274
Rb   -1.349065   -5.047317    6.195227    0.000146   -0.000112    0.000004
Br    1.997011   -5.332838    6.508678   -0.000232    0.000200    0.000238
Rb    5.381321   -5.231531    6.394772    0.000082   -0.000094   -0.000312
Br   -1.333278   -5.018487    2.826307   -0.000712   -0.000606   -0.000834
Rb    2.299820   -5.065407    2.967528    0.000160    0.001650   -0.001456
Br    5.795010   -5.422809    3.042799    0.000290   -0.000404    0.000670
Rb   -1.094808   -4.492241   -0.618280   -0.000438   -0.000722   -0.001638
Br    2.282300   -5.222289   -0.672054   -0.002048   -0.000446   -0.000734
Rb    5.738651   -4.977293   -0.414057   -0.001132    0.001010    0.001062
Br   -1.197171   -4.498537   -4.008110   -0.000278    0.000180    0.000170
Rb    2.225440   -4.641063   -4.105155    0.000136   -0.000058    0.000164
Br    5.636038   -4.658829   -3.825919    0.000006   -0.000090   -0.000382
O     0.451153    0.338013    1.434066   -0.016402    0.037878    0.014590
H     0.967757    0.921378    0.850608    0.466384   -0.878324   -0.632826
H    -0.214182   -0.072711    0.852611   -0.102918   -0.293010    0.330324
O     3.357402    0.119427    1.605955   -0.007000    0.025446    0.016090
H     4.013984    0.491847    2.222719    0.000314   -0.364202    0.268542
H     2.880023   -0.550148    2.122949    0.205470   -0.550106   -0.470814
O     0.215722    3.445148    1.842951   -0.012926   -0.009722    0.004372
H     0.641265    4.089575    2.440551    0.370684   -0.163102   -0.100694
H    -0.469037    2.989895    2.369625    0.169936   -0.003896    0.240954
O     3.592819   -2.988069    1.191811   -0.005950   -0.003102    0.003792
H     4.298686   -2.537319    0.688130    0.154506   -0.086080    0.136930
H     3.204999   -3.649903    0.586407    0.246700   -0.153256   -0.013260
O     3.184212    3.384776    1.662285   -0.014756    0.005594    0.007728
H     3.751683    4.003506    1.168192    0.085168    0.079602    0.209800
H     2.679642    2.904985    0.980203    0.629498   -0.403598   -0.241958
O     0.621677   -2.931057    1.377299   -0.013876    0.000228    0.006196
H     1.195423   -2.484351    2.024877    0.533110   -0.177058   -0.327744
H     0.071174   -3.540047    1.902078    0.129386    0.129180    0.320044
66
* Frequency(169)  618.2200
Rb    5.171633    5.493472   -3.155228    0.000104   -0.000170   -0.000024
Rb    5.562043   -1.266902   -3.730087    0.000090   -0.000178    0.000304
Rb    5.409126   -1.938105    3.309362   -0.001652    0.000562   -0.002770
Rb    4.900847    4.947445    3.658853   -0.000172   -0.000702   -0.001144
Rb    1.957792   -1.349304   -0.696069   -0.000822    0.004642    0.003900
Rb    5.219470    1.852860   -0.105082   -0.001574    0.000784   -0.000490
Rb    1.979617    2.349451   -4.303466    0.000136   -0.000126    0.000026
Rb    1.844708    1.801764    3.733996   -0.000472    0.003398    0.003052
Rb    1.514914    5.519299    0.065162   -0.000010    0.002056   -0.001506
Rb   -1.599535    2.395277   -0.272144   -0.002564    0.000226   -0.003692
Rb   -1.558917    5.687216   -3.359745    0.000086   -0.000070   -0.000350
Rb   -1.339338   -1.092375   -3.904595    0.000088   -0.000150   -0.000168
Rb   -1.410586   -1.403093    3.145749   -0.000524    0.000564   -0.000984
Rb   -1.930568    5.433307    3.450091   -0.001270    0.001256    0.001186
Br    5.448784    2.177185   -3.644927   -0.000316    0.000276   -0.000076
Br    5.986356   -1.504850   -0.295737    0.000740    0.000992   -0.001320
Br    5.547345    1.538512    3.504494    0.000008    0.001636    0.000238
Br    5.148521    5.467578    0.213744   -0.000560   -0.000198   -0.000458
Br    1.825472    5.787531   -3.475864   -0.000328   -0.000034    0.000338
Br    2.117495   -1.148860   -4.166475   -0.000406    0.000356   -0.000154
Br    1.988153   -1.689905    3.998464   -0.002426    0.002290    0.001688
Br    1.525603    5.680955    3.705796   -0.002480   -0.000586   -0.000726
Br   -1.512671    2.349498   -3.859642   -0.000092    0.000170    0.000520
Br   -1.743294   -1.082128   -0.462158    0.000010    0.001274   -0.000934
Br   -2.169180    1.958143    3.336128    0.000574    0.001724   -0.001572
Br   -1.981549    5.880658   -0.008191    0.000424   -0.000712    0.000710
Br    1.821787    2.142570   -0.961499   -0.003844    0.004112    0.000500
Br   -1.826538    5.106687    6.861736    0.000050   -0.000058   -0.000456
Rb    1.583548    5.095113    7.137973    0.000182   -0.000092    0.000222
Br    5.006523    4.955321    7.048811   -0.000288    0.000110    0.000112
Rb   -1.751119    1.714690    6.770630    0.000192   -0.000256    0.000282
Br    1.693676    1.602389    7.205035   -0.000214    0.000196   -0.000154
Rb    5.151221    1.549038    6.947432    0.000122   -0.000142   -0.000178
Br   -1.634511   -1.730203    6.684617   -0.000096    0.000232    0.000134
Rb    1.837678   -1.897169    7.340017    0.000062   -0.000110    0.000008
Br    5.328843   -1.893555    6.898011   -0.000344    0.000162    0.000274
Rb   -1.349081   -5.047305    6.195227    0.000146   -0.000112    0.000004
Br    1.997037   -5.332862    6.508650   -0.000232    0.000200    0.000238
Rb    5.381311   -5.231521    6.394808    0.000082   -0.000094   -0.000312
Br   -1.333196   -5.018417    2.826403   -0.000712   -0.000606   -0.000834
Rb    2.299802   -5.065597    2.967696    0.000160    0.001650   -0.001456
Br    5.794976   -5.422763    3.042721    0.000290   -0.000404    0.000670
Rb   -1.094758   -4.492157   -0.618092   -0.000438   -0.000722   -0.001638
Br    2.282536   -5.222237   -0.671970   -0.002048   -0.000446   -0.000734
Rb    5.738781   -4.977409   -0.414179   -0.001132    0.001010    0.001062
Br   -1.197139   -4.498557   -4.008130   -0.000278    0.000180    0.000170
Rb    2.225424   -4.641057   -4.105173    0.000136   -0.000058    0.000164
Br    5.636038   -4.658819   -3.825875    0.000006   -0.000090   -0.000382
O     0.453043    0.333649    1.432384   -0.016402    0.037878    0.014590
H     0.914023    1.022576    0.923520    0.466384   -0.878324   -0.632826
H    -0.202324   -0.038951    0.814553   -0.102918   -0.293010    0.330324
O     3.358208    0.116495    1.604101   -0.007000    0.025446    0.016090
H     4.013948    0.533809    2.191779    0.000314   -0.364202    0.268542
H     2.856349   -0.486766    2.177195    0.205470   -0.550106   -0.470814
O     0.217212    3.446268    1.842447   -0.012926   -0.009722    0.004372
H     0.598557    4.108367    2.452153    0.370684   -0.163102   -0.100694
H    -0.488617    2.990343    2.341863    0.169936   -0.003896    0.240954
O     3.593505   -2.987711    1.191375   -0.005950   -0.003102    0.003792
H     4.280884   -2.527401    0.672354    0.154506   -0.086080    0.136930
H     3.176575   -3.632245    0.587935    0.246700   -0.153256   -0.013260
O     3.185912    3.384132    1.661395   -0.014756    0.005594    0.007728
H     3.741871    3.994334    1.144020    0.085168    0.079602    0.209800
H     2.607114    2.951487    1.008081    0.629498   -0.403598   -0.241958
O     0.623275   -2.931083    1.376585   -0.013876    0.000228    0.006196
H     1.134001   -2.463951    2.062639    0.533110   -0.177058   -0.327744
H     0.056266   -3.554931    1.865204    0.129386    0.129180    0.320044
66
* Frequency(169)  618.2200
Rb    5.171622    5.493490   -3.155225    0.000104   -0.000170   -0.000024
Rb    5.562033   -1.266882   -3.730120    0.000090   -0.000178    0.000304
Rb    5.409306   -1.938167    3.309663   -0.001652    0.000562   -0.002770
Rb    4.900866    4.947522    3.658978   -0.000172   -0.000702   -0.001144
Rb    1.957882   -1.349810   -0.696494   -0.000822    0.004642    0.003900
Rb    5.219641    1.852774   -0.105028   -0.001574    0.000784   -0.000490
Rb    1.979602    2.349465   -4.303469    0.000136   -0.000126    0.000026
Rb    1.844760    1.801394    3.733664   -0.000472    0.003398    0.003052
Rb    1.514915    5.519075    0.065326   -0.000010    0.002056   -0.001506
Rb   -1.599256    2.395252   -0.271742   -0.002564    0.000226   -0.003692
Rb   -1.558926    5.687224   -3.359707    0.000086   -0.000070   -0.000350
Rb   -1.339348   -1.092359   -3.904577    0.000088   -0.000150   -0.000168
Rb   -1.410529   -1.403155    3.145856   -0.000524    0.000564   -0.000984
Rb   -1.930429    5.433170    3.449961   -0.001270    0.001256    0.001186
Br    5.448819    2.177155   -3.644918   -0.000316    0.000276   -0.000076
Br    5.986276   -1.504958   -0.295593    0.000740    0.000992   -0.001320
Br    5.547344    1.538333    3.504468    0.000008    0.001636    0.000238
Br    5.148582    5.467600    0.213794   -0.000560   -0.000198   -0.000458
Br    1.825508    5.787535   -3.475901   -0.000328   -0.000034    0.000338
Br    2.117540   -1.148898   -4.166458   -0.000406    0.000356   -0.000154
Br    1.988417   -1.690154    3.998280   -0.002426    0.002290    0.001688
Br    1.525873    5.681019    3.705875   -0.002480   -0.000586   -0.000726
Br   -1.512661    2.349480   -3.859699   -0.000092    0.000170    0.000520
Br   -1.743295   -1.082267   -0.462056    0.000010    0.001274   -0.000934
Br   -2.169243    1.957955    3.336299    0.000574    0.001724   -0.001572
Br   -1.981596    5.880736   -0.008268    0.000424   -0.000712    0.000710
Br    1.822206    2.142122   -0.961553   -0.003844    0.004112    0.000500
Br   -1.826543    5.106694    6.861786    0.000050   -0.000058   -0.000456
Rb    1.583528    5.095123    7.137949    0.000182   -0.000092    0.000222
Br    5.006554    4.955309    7.048798   -0.000288    0.000110    0.000112
Rb   -1.751140    1.714718    6.770599    0.000192   -0.000256    0.000282
Br    1.693700    1.602367    7.205052   -0.000214    0.000196   -0.000154
Rb    5.151208    1.549054    6.947452    0.000122   -0.000142   -0.000178
Br   -1.634501   -1.730229    6.684603   -0.000096    0.000232    0.000134
Rb    1.837672   -1.897157    7.340016    0.000062   -0.000110    0.000008
Br    5.328880   -1.893573    6.897981   -0.000344    0.000162    0.000274
Rb   -1.349097   -5.047292    6.195226    0.000146   -0.000112    0.000004
Br    1.997063   -5.332883    6.508624   -0.000232    0.000200    0.000238
Rb    5.381302   -5.231510    6.394842    0.000082   -0.000094   -0.000312
Br   -1.333118   -5.018351    2.826494   -0.000712   -0.000606   -0.000834
Rb    2.299784   -5.065777    2.967855    0.000160    0.001650   -0.001456
Br    5.794945   -5.422719    3.042648    0.000290   -0.000404    0.000670
Rb   -1.094710   -4.492079   -0.617913   -0.000438   -0.000722   -0.001638
Br    2.282759   -5.222189   -0.671890   -0.002048   -0.000446   -0.000734
Rb    5.738905   -4.977519   -0.414295   -0.001132    0.001010    0.001062
Br   -1.197109   -4.498577   -4.008148   -0.000278    0.000180    0.000170
Rb    2.225409   -4.641050   -4.105191    0.000136   -0.000058    0.000164
Br    5.636037   -4.658809   -3.825833    0.000006   -0.000090   -0.000382
O     0.454830    0.329521    1.430795   -0.016402    0.037878    0.014590
H     0.863199    1.118290    0.992481    0.466384   -0.878324   -0.632826
H    -0.191109   -0.007021    0.778556   -0.102918   -0.293010    0.330324
O     3.358971    0.113722    1.602348   -0.007000    0.025446    0.016090
H     4.013914    0.573497    2.162515    0.000314   -0.364202    0.268542
H     2.833958   -0.426819    2.228501    0.205470   -0.550106   -0.470814
O     0.218620    3.447328    1.841971   -0.012926   -0.009722    0.004372
H     0.558162    4.126141    2.463126    0.370684   -0.163102   -0.100694
H    -0.507135    2.990768    2.315606    0.169936   -0.003896    0.240954
O     3.594153   -2.987373    1.190961   -0.005950   -0.003102    0.003792
H     4.264047   -2.518021    0.657432    0.154506   -0.086080    0.136930
H     3.149691   -3.615544    0.589380    0.246700   -0.153256   -0.013260
O     3.187520    3.383522    1.660553   -0.014756    0.005594    0.007728
H     3.732590    3.985660    1.121157    0.085168    0.079602    0.209800
H     2.538515    2.995468    1.034448    0.629498   -0.403598   -0.241958
O     0.624787   -2.931108    1.375910   -0.013876    0.000228    0.006196
H     1.075906   -2.444656    2.098354    0.533110   -0.177058   -0.327744
H     0.042167   -3.569008    1.830328    0.129386    0.129180    0.320044
66
* Frequency(169)  618.2200
Rb    5.171612    5.493506   -3.155223    0.000104   -0.000170   -0.000024
Rb    5.562025   -1.266866   -3.730147    0.000090   -0.000178    0.000304
Rb    5.409456   -1.938218    3.309915   -0.001652    0.000562   -0.002770
Rb    4.900881    4.947586    3.659082   -0.000172   -0.000702   -0.001144
Rb    1.957957   -1.350232   -0.696848   -0.000822    0.004642    0.003900
Rb    5.219784    1.852703   -0.104984   -0.001574    0.000784   -0.000490
Rb    1.979590    2.349476   -4.303472    0.000136   -0.000126    0.000026
Rb    1.844803    1.801085    3.733386   -0.000472    0.003398    0.003052
Rb    1.514916    5.518888    0.065463   -0.000010    0.002056   -0.001506
Rb   -1.599023    2.395232   -0.271406   -0.002564    0.000226   -0.003692
Rb   -1.558934    5.687230   -3.359675    0.000086   -0.000070   -0.000350
Rb   -1.339356   -1.092345   -3.904562    0.000088   -0.000150   -0.000168
Rb   -1.410481   -1.403206    3.145945   -0.000524    0.000564   -0.000984
Rb   -1.930314    5.433056    3.449854   -0.001270    0.001256    0.001186
Br    5.448847    2.177130   -3.644911   -0.000316    0.000276   -0.000076
Br    5.986208   -1.505048   -0.295473    0.000740    0.000992   -0.001320
Br    5.547343    1.538185    3.504447    0.000008    0.001636    0.000238
Br    5.148633    5.467618    0.213836   -0.000560   -0.000198   -0.000458
Br    1.825537    5.787538   -3.475932   -0.000328   -0.000034    0.000338
Br    2.117577   -1.148931   -4.166444   -0.000406    0.000356   -0.000154
Br    1.988638   -1.690363    3.998126   -0.002426    0.002290    0.001688
Br    1.526099    5.681072    3.705941   -0.002480   -0.000586   -0.000726
Br   -1.512652    2.349464   -3.859746   -0.000092    0.000170    0.000520
Br   -1.743296   -1.082383   -0.461971    0.000010    0.001274   -0.000934
Br   -2.169295    1.957798    3.336442    0.000574    0.001724   -0.001572
Br   -1.981634    5.880800   -0.008333    0.000424   -0.000712    0.000710
Br    1.822556    2.141748   -0.961599   -0.003844    0.004112    0.000500
Br   -1.826548    5.106699    6.861827    0.000050   -0.000058   -0.000456
Rb    1.583511    5.095132    7.137929    0.000182   -0.000092    0.000222
Br    5.006580    4.955299    7.048788   -0.000288    0.000110    0.000112
Rb   -1.751157    1.714741    6.770573    0.000192   -0.000256    0.000282
Br    1.693719    1.602350    7.205066   -0.000214    0.000196   -0.000154
Rb    5.151197    1.549067    6.947468    0.000122   -0.000142   -0.000178
Br   -1.634492   -1.730250    6.684590   -0.000096    0.000232    0.000134
Rb    1.837666   -1.897147    7.340015    0.000062   -0.000110    0.000008
Br    5.328912   -1.893588    6.897956   -0.000344    0.000162    0.000274
Rb   -1.349111   -5.047282    6.195226    0.000146   -0.000112    0.000004
Br    1.997084   -5.332902    6.508603   -0.000232    0.000200    0.000238
Rb    5.381295   -5.231502    6.394870    0.000082   -0.000094   -0.000312
Br   -1.333054   -5.018296    2.826570   -0.000712   -0.000606   -0.000834
Rb    2.299770   -5.065927    2.967987    0.000160    0.001650   -0.001456
Br    5.794918   -5.422682    3.042587    0.000290   -0.000404    0.000670
Rb   -1.094670   -4.492013   -0.617764   -0.000438   -0.000722   -0.001638
Br    2.282945   -5.222148   -0.671823   -0.002048   -0.000446   -0.000734
Rb    5.739007   -4.977611   -0.414391   -0.001132    0.001010    0.001062
Br   -1.197083   -4.498593   -4.008164   -0.000278    0.000180    0.000170
Rb    2.225397   -4.641045   -4.105206    0.000136   -0.000058    0.000164
Br    5.636036   -4.658801   -3.825799    0.000006   -0.000090   -0.000382
O     0.456322    0.326077    1.429468   -0.016402    0.037878    0.014590
H     0.820795    1.198148    1.050019    0.466384   -0.878324   -0.632826
H    -0.181751    0.019620    0.748522   -0.102918   -0.293010    0.330324
O     3.359608    0.111409    1.600885   -0.007000    0.025446    0.016090
H     4.013885    0.606611    2.138099    0.000314   -0.364202    0.268542
H     2.815277   -0.376803    2.271308    0.205470   -0.550106   -0.470814
O     0.219795    3.448211    1.841573   -0.012926   -0.009722    0.004372
H     0.524459    4.140970    2.472281    0.370684   -0.163102   -0.100694
H    -0.522586    2.991122    2.293698    0.169936   -0.003896    0.240954
O     3.594694   -2.987091    1.190617   -0.005950   -0.003102    0.003792
H     4.249999   -2.510194    0.644982    0.154506   -0.086080    0.136930
H     3.127261   -3.601610    0.590585    0.246700   -0.153256   -0.013260
O     3.188862    3.383014    1.659850   -0.014756    0.005594    0.007728
H     3.724846    3.978422    1.102082    0.085168    0.079602    0.209800
H     2.481280    3.032164    1.056447    0.629498   -0.403598   -0.241958
O     0.626049   -2.931129    1.375347   -0.013876    0.000228    0.006196
H     1.027434   -2.428558    2.128153    0.533110   -0.177058   -0.327744
H     0.030403   -3.580753    1.801229    0.129386    0.129180    0.320044
66
* Frequency(169)  618.2200
Rb    5.171606    5.493516   -3.155221    0.000104   -0.000170   -0.000024
Rb    5.562019   -1.266855   -3.730166    0.000090   -0.000178    0.000304
Rb    5.409561   -1.938253    3.310090   -0.001652    0.000562   -0.002770
Rb    4.900892    4.947630    3.659154   -0.000172   -0.000702   -0.001144
Rb    1.958008   -1.350525   -0.697094   -0.000822    0.004642    0.003900
Rb    5.219883    1.852654   -0.104953   -0.001574    0.000784   -0.000490
Rb    1.979581    2.349484   -4.303473    0.000136   -0.000126    0.000026
Rb    1.844832    1.800871    3.733194   -0.000472    0.003398    0.003052
Rb    1.514916    5.518758    0.065558   -0.000010    0.002056   -0.001506
Rb   -1.598861    2.395218   -0.271174   -0.002564    0.000226   -0.003692
Rb   -1.558940    5.687234   -3.359653    0.000086   -0.000070   -0.000350
Rb   -1.339361   -1.092336   -3.904551    0.000088   -0.000150   -0.000168
Rb   -1.410448   -1.403242    3.146007   -0.000524    0.000564   -0.000984
Rb   -1.930234    5.432976    3.449779   -0.001270    0.001256    0.001186
Br    5.448867    2.177113   -3.644907   -0.000316    0.000276   -0.000076
Br    5.986162   -1.505111   -0.295390    0.000740    0.000992   -0.001320
Br    5.547342    1.538082    3.504432    0.000008    0.001636    0.000238
Br    5.148668    5.467630    0.213865   -0.000560   -0.000198   -0.000458
Br    1.825558    5.787540   -3.475953   -0.000328   -0.000034    0.000338
Br    2.117602   -1.148953   -4.166435   -0.000406    0.000356   -0.000154
Br    1.988791   -1.690507    3.998020   -0.002426    0.002290    0.001688
Br    1.526255    5.681109    3.705987   -0.002480   -0.000586   -0.000726
Br   -1.512647    2.349454   -3.859779   -0.000092    0.000170    0.000520
Br   -1.743296   -1.082463   -0.461913    0.000010    0.001274   -0.000934
Br   -2.169331    1.957689    3.336541    0.000574    0.001724   -0.001572
Br   -1.981661    5.880845   -0.008378    0.000424   -0.000712    0.000710
Br    1.822798    2.141489   -0.961630   -0.003844    0.004112    0.000500
Br   -1.826551    5.106703    6.861856    0.000050   -0.000058   -0.000456
Rb    1.583500    5.095137    7.137915    0.000182   -0.000092    0.000222
Br    5.006598    4.955292    7.048781   -0.000288    0.000110    0.000112
Rb   -1.751170    1.714757    6.770556    0.000192   -0.000256    0.000282
Br    1.693733    1.602337    7.205075   -0.000214    0.000196   -0.000154
Rb    5.151189    1.549076    6.947479    0.000122   -0.000142   -0.000178
Br   -1.634486   -1.730264    6.684582   -0.000096    0.000232    0.000134
Rb    1.837662   -1.897140    7.340014    0.000062   -0.000110    0.000008
Br    5.328933   -1.893598    6.897939   -0.000344    0.000162    0.000274
Rb   -1.349120   -5.047275    6.195226    0.000146   -0.000112    0.000004
Br    1.997098   -5.332914    6.508588   -0.000232    0.000200    0.000238
Rb    5.381290   -5.231496    6.394890    0.000082   -0.000094   -0.000312
Br   -1.333009   -5.018258    2.826622   -0.000712   -0.000606   -0.000834
Rb    2.299760   -5.066031    2.968079    0.000160    0.001650   -0.001456
Br    5.794900   -5.422657    3.042545    0.000290   -0.000404    0.000670
Rb   -1.094643   -4.491968   -0.617661   -0.000438   -0.000722   -0.001638
Br    2.283074   -5.222120   -0.671777   -0.002048   -0.000446   -0.000734
Rb    5.739079   -4.977675   -0.414458   -0.001132    0.001010    0.001062
Br   -1.197066   -4.498605   -4.008174   -0.000278    0.000180    0.000170
Rb    2.225388   -4.641041   -4.105217    0.000136   -0.000058    0.000164
Br    5.636036   -4.658795   -3.825775    0.000006   -0.000090   -0.000382
O     0.457355    0.323690    1.428549   -0.016402    0.037878    0.014590
H     0.791404    1.253498    1.089898    0.466384   -0.878324   -0.632826
H    -0.175266    0.038085    0.727706   -0.102918   -0.293010    0.330324
O     3.360049    0.109805    1.599871   -0.007000    0.025446    0.016090
H     4.013865    0.629562    2.121176    0.000314   -0.364202    0.268542
H     2.802329   -0.342137    2.300978    0.205470   -0.550106   -0.470814
O     0.220610    3.448824    1.841298   -0.012926   -0.009722    0.004372
H     0.501099    4.151249    2.478627    0.370684   -0.163102   -0.100694
H    -0.533295    2.991368    2.278513    0.169936   -0.003896    0.240954
O     3.595069   -2.986896    1.190378   -0.005950   -0.003102    0.003792
H     4.240263   -2.504770    0.636353    0.154506   -0.086080    0.136930
H     3.111715   -3.591952    0.591421    0.246700   -0.153256   -0.013260
O     3.189792    3.382661    1.659363   -0.014756    0.005594    0.007728
H     3.719479    3.973406    1.088861    0.085168    0.079602    0.209800
H     2.441611    3.057597    1.071695    0.629498   -0.403598   -0.241958
O     0.626924   -2.931143    1.374956   -0.013876    0.000228    0.006196
H     0.993839   -2.417400    2.148807    0.533110   -0.177058   -0.327744
H     0.022249   -3.588894    1.781060    0.129386    0.129180    0.320044
66
* Frequency(169)  618.2200
Rb    5.171603    5.493521   -3.155221    0.000104   -0.000170   -0.000024
Rb    5.562017   -1.266850   -3.730175    0.000090   -0.000178    0.000304
Rb    5.409607   -1.938269    3.310168   -0.001652    0.000562   -0.002770
Rb    4.900897    4.947650    3.659186   -0.000172   -0.000702   -0.001144
Rb    1.958032   -1.350656   -0.697204   -0.000822    0.004642    0.003900
Rb    5.219928    1.852632   -0.104939   -0.001574    0.000784   -0.000490
Rb    1.979578    2.349488   -4.303474    0.000136   -0.000126    0.000026
Rb    1.844846    1.800775    3.733107   -0.000472    0.003398    0.003052
Rb    1.514916    5.518700    0.065600   -0.000010    0.002056   -0.001506
Rb   -1.598789    2.395211   -0.271069   -0.002564    0.000226   -0.003692
Rb   -1.558942    5.687236   -3.359643    0.000086   -0.000070   -0.000350
Rb   -1.339364   -1.092332   -3.904546    0.000088   -0.000150   -0.000168
Rb   -1.410433   -1.403258    3.146035   -0.000524    0.000564   -0.000984
Rb   -1.930198    5.432941    3.449745   -0.001270    0.001256    0.001186
Br    5.448876    2.177105   -3.644904   -0.000316    0.000276   -0.000076
Br    5.986141   -1.505139   -0.295353    0.000740    0.000992   -0.001320
Br    5.547342    1.538035    3.504425    0.000008    0.001636    0.000238
Br    5.148684    5.467636    0.213878   -0.000560   -0.000198   -0.000458
Br    1.825567    5.787541   -3.475963   -0.000328   -0.000034    0.000338
Br    2.117614   -1.148963   -4.166430   -0.000406    0.000356   -0.000154
Br    1.988859   -1.690572    3.997972   -0.002426    0.002290    0.001688
Br    1.526325    5.681125    3.706007   -0.002480   -0.000586   -0.000726
Br   -1.512644    2.349449   -3.859793   -0.000092    0.000170    0.000520
Br   -1.743296   -1.082499   -0.461886    0.000010    0.001274   -0.000934
Br   -2.169347    1.957641    3.336585    0.000574    0.001724   -0.001572
Br   -1.981673    5.880865   -0.008398    0.000424   -0.000712    0.000710
Br    1.822907    2.141373   -0.961644   -0.003844    0.004112    0.000500
Br   -1.826552    5.106704    6.861869    0.000050   -0.000058   -0.000456
Rb    1.583495    5.095140    7.137909    0.000182   -0.000092    0.000222
Br    5.006606    4.955289    7.048778   -0.000288    0.000110    0.000112
Rb   -1.751175    1.714764    6.770548    0.000192   -0.000256    0.000282
Br    1.693739    1.602332    7.205080   -0.000214    0.000196   -0.000154
Rb    5.151185    1.549080    6.947484    0.000122   -0.000142   -0.000178
Br   -1.634484   -1.730271    6.684578   -0.000096    0.000232    0.000134
Rb    1.837660   -1.897137    7.340014    0.000062   -0.000110    0.000008
Br    5.328943   -1.893603    6.897931   -0.000344    0.000162    0.000274
Rb   -1.349124   -5.047272    6.195226    0.000146   -0.000112    0.000004
Br    1.997105   -5.332920    6.508581   -0.000232    0.000200    0.000238
Rb    5.381287   -5.231493    6.394899    0.000082   -0.000094   -0.000312
Br   -1.332989   -5.018241    2.826646   -0.000712   -0.000606   -0.000834
Rb    2.299755   -5.066078    2.968120    0.000160    0.001650   -0.001456
Br    5.794892   -5.422645    3.042526    0.000290   -0.000404    0.000670
Rb   -1.094630   -4.491947   -0.617615   -0.000438   -0.000722   -0.001638
Br    2.283132   -5.222107   -0.671756   -0.002048   -0.000446   -0.000734
Rb    5.739111   -4.977703   -0.414488   -0.001132    0.001010    0.001062
Br   -1.197058   -4.498610   -4.008179   -0.000278    0.000180    0.000170
Rb    2.225385   -4.641040   -4.105221    0.000136   -0.000058    0.000164
Br    5.636036   -4.658793   -3.825764    0.000006   -0.000090   -0.000382
O     0.457819    0.322619    1.428136   -0.016402    0.037878    0.014590
H     0.778213    1.278340    1.107797    0.466384   -0.878324   -0.632826
H    -0.172355    0.046372    0.718363   -0.102918   -0.293010    0.330324
O     3.360247    0.109085    1.599416   -0.007000    0.025446    0.016090
H     4.013856    0.639863    2.113580    0.000314   -0.364202    0.268542
H     2.796517   -0.326578    2.314294    0.205470   -0.550106   -0.470814
O     0.220976    3.449099    1.841174   -0.012926   -0.009722    0.004372
H     0.490615    4.155862    2.481475    0.370684   -0.163102   -0.100694
H    -0.538101    2.991478    2.271698    0.169936   -0.003896    0.240954
O     3.595237   -2.986808    1.190270   -0.005950   -0.003102    0.003792
H     4.235893   -2.502335    0.632480    0.154506   -0.086080    0.136930
H     3.104737   -3.587618    0.591796    0.246700   -0.153256   -0.013260
O     3.190209    3.382503    1.659144   -0.014756    0.005594    0.007728
H     3.717070    3.971154    1.082927    0.085168    0.079602    0.209800
H     2.423806    3.069013    1.078538    0.629498   -0.403598   -0.241958
O     0.627316   -2.931150    1.374781   -0.013876    0.000228    0.006196
H     0.978761   -2.412392    2.158077    0.533110   -0.177058   -0.327744
H     0.018590   -3.592548    1.772008    0.129386    0.129180    0.320044
66
* Frequency(169)  618.2200
Rb    5.171604    5.493520   -3.155221    0.000104   -0.000170   -0.000024
Rb    5.562017   -1.266852   -3.730172    0.000090   -0.000178    0.000304
Rb    5.409592   -1.938264    3.310142   -0.001652    0.000562   -0.002770
Rb    4.900895    4.947643    3.659175   -0.000172   -0.000702   -0.001144
Rb    1.958024   -1.350612   -0.697167   -0.000822    0.004642    0.003900
Rb    5.219913    1.852639   -0.104944   -0.001574    0.000784   -0.000490
Rb    1.979579    2.349487   -4.303474    0.000136   -0.000126    0.000026
Rb    1.844841    1.800807    3.733136   -0.000472    0.003398    0.003052
Rb    1.514916    5.518719    0.065586   -0.000010    0.002056   -0.001506
Rb   -1.598813    2.395213   -0.271104   -0.002564    0.000226   -0.003692
Rb   -1.558941    5.687236   -3.359646    0.000086   -0.000070   -0.000350
Rb   -1.339363   -1.092333   -3.904548    0.000088   -0.000150   -0.000168
Rb   -1.410438   -1.403252    3.146026   -0.000524    0.000564   -0.000984
Rb   -1.930210    5.432953    3.449757   -0.001270    0.001256    0.001186
Br    5.448873    2.177107   -3.644905   -0.000316    0.000276   -0.000076
Br    5.986148   -1.505130   -0.295365    0.000740    0.000992   -0.001320
Br    5.547342    1.538051    3.504427    0.000008    0.001636    0.000238
Br    5.148679    5.467634    0.213873   -0.000560   -0.000198   -0.000458
Br    1.825564    5.787541   -3.475960   -0.000328   -0.000034    0.000338
Br    2.117610   -1.148960   -4.166432   -0.000406    0.000356   -0.000154
Br    1.988836   -1.690550    3.997988   -0.002426    0.002290    0.001688
Br    1.526301    5.681120    3.706000   -0.002480   -0.000586   -0.000726
Br   -1.512645    2.349450   -3.859788   -0.000092    0.000170    0.000520
Br   -1.743296   -1.082487   -0.461895    0.000010    0.001274   -0.000934
Br   -2.169342    1.957657    3.336570    0.000574    0.001724   -0.001572
Br   -1.981669    5.880859   -0.008391    0.000424   -0.000712    0.000710
Br    1.822870    2.141412   -0.961640   -0.003844    0.004112    0.000500
Br   -1.826552    5.106704    6.861865    0.000050   -0.000058   -0.000456
Rb    1.583496    5.095139    7.137911    0.000182   -0.000092    0.000222
Br    5.006604    4.955290    7.048779   -0.000288    0.000110    0.000112
Rb   -1.751173    1.714762    6.770550    0.000192   -0.000256    0.000282
Br    1.693737    1.602333    7.205078   -0.000214    0.000196   -0.000154
Rb    5.151187    1.549078    6.947482    0.000122   -0.000142   -0.000178
Br   -1.634484   -1.730269    6.684580   -0.000096    0.000232    0.000134
Rb    1.837661   -1.897138    7.340014    0.000062   -0.000110    0.000008
Br    5.328940   -1.893601    6.897934   -0.000344    0.000162    0.000274
Rb   -1.349123   -5.047273    6.195226    0.000146   -0.000112    0.000004
Br    1.997103   -5.332918    6.508583   -0.000232    0.000200    0.000238
Rb    5.381288   -5.231494    6.394896    0.000082   -0.000094   -0.000312
Br   -1.332995   -5.018246    2.826638   -0.000712   -0.000606   -0.000834
Rb    2.299757   -5.066062    2.968106    0.000160    0.001650   -0.001456
Br    5.794895   -5.422649    3.042533    0.000290   -0.000404    0.000670
Rb   -1.094634   -4.491954   -0.617630   -0.000438   -0.000722   -0.001638
Br    2.283113   -5.222112   -0.671763   -0.002048   -0.000446   -0.000734
Rb    5.739100   -4.977694   -0.414478   -0.001132    0.001010    0.001062
Br   -1.197061   -4.498608   -4.008178   -0.000278    0.000180    0.000170
Rb    2.225386   -4.641040   -4.105220    0.000136   -0.000058    0.000164
Br    5.636036   -4.658793   -3.825767    0.000006   -0.000090   -0.000382
O     0.457663    0.322979    1.428275   -0.016402    0.037878    0.014590
H     0.782651    1.269984    1.101776    0.466384   -0.878324   -0.632826
H    -0.173334    0.043584    0.721506   -0.102918   -0.293010    0.330324
O     3.360180    0.109327    1.599569   -0.007000    0.025446    0.016090
H     4.013859    0.636398    2.116135    0.000314   -0.364202    0.268542
H     2.798472   -0.331811    2.309815    0.205470   -0.550106   -0.470814
O     0.220853    3.449007    1.841216   -0.012926   -0.009722    0.004372
H     0.494142    4.154310    2.480516    0.370684   -0.163102   -0.100694
H    -0.536485    2.991441    2.273991    0.169936   -0.003896    0.240954
O     3.595181   -2.986838    1.190306   -0.005950   -0.003102    0.003792
H     4.237363   -2.503154    0.633783    0.154506   -0.086080    0.136930
H     3.107084   -3.589076    0.591670    0.246700   -0.153256   -0.013260
O     3.190069    3.382556    1.659218   -0.014756    0.005594    0.007728
H     3.717880    3.971912    1.084923    0.085168    0.079602    0.209800
H     2.429796    3.065173    1.076236    0.629498   -0.403598   -0.241958
O     0.627184   -2.931147    1.374840   -0.013876    0.000228    0.006196
H     0.983833   -2.414077    2.154958    0.533110   -0.177058   -0.327744
H     0.019821   -3.591318    1.775053    0.129386    0.129180    0.320044
66
* Frequency(169)  618.2200
Rb    5.171609    5.493512   -3.155222    0.000104   -0.000170   -0.000024
Rb    5.562022   -1.266860   -3.730158    0.000090   -0.000178    0.000304
Rb    5.409515   -1.938238    3.310014   -0.001652    0.000562   -0.002770
Rb    4.900887    4.947611    3.659122   -0.000172   -0.000702   -0.001144
Rb    1.957986   -1.350397   -0.696987   -0.000822    0.004642    0.003900
Rb    5.219840    1.852675   -0.104966   -0.001574    0.000784   -0.000490
Rb    1.979585    2.349481   -4.303473    0.000136   -0.000126    0.000026
Rb    1.844819    1.800964    3.733278   -0.000472    0.003398    0.003052
Rb    1.514916    5.518815    0.065516   -0.000010    0.002056   -0.001506
Rb   -1.598932    2.395224   -0.271275   -0.002564    0.000226   -0.003692
Rb   -1.558937    5.687233   -3.359662    0.000086   -0.000070   -0.000350
Rb   -1.339359   -1.092340   -3.904556    0.000088   -0.000150   -0.000168
Rb   -1.410462   -1.403226    3.145980   -0.000524    0.000564   -0.000984
Rb   -1.930269    5.433011    3.449811   -0.001270    0.001256    0.001186
Br    5.448859    2.177120   -3.644909   -0.000316    0.000276   -0.000076
Br    5.986182   -1.505084   -0.295426    0.000740    0.000992   -0.001320
Br    5.547343    1.538127    3.504438    0.000008    0.001636    0.000238
Br    5.148653    5.467625    0.213852   -0.000560   -0.000198   -0.000458
Br    1.825549    5.787539   -3.475944   -0.000328   -0.000034    0.000338
Br    2.117591   -1.148943   -4.166439   -0.000406    0.000356   -0.000154
Br    1.988724   -1.690444    3.998066   -0.002426    0.002290    0.001688
Br    1.526187    5.681093    3.705967   -0.002480   -0.000586   -0.000726
Br   -1.512649    2.349458   -3.859764   -0.000092    0.000170    0.000520
Br   -1.743296   -1.082428   -0.461938    0.000010    0.001274   -0.000934
Br   -2.169315    1.957737    3.336498    0.000574    0.001724   -0.001572
Br   -1.981649    5.880826   -0.008358    0.000424   -0.000712    0.000710
Br    1.822692    2.141602   -0.961617   -0.003844    0.004112    0.000500
Br   -1.826550    5.106701    6.861844    0.000050   -0.000058   -0.000456
Rb    1.583505    5.095135    7.137921    0.000182   -0.000092    0.000222
Br    5.006590    4.955295    7.048784   -0.000288    0.000110    0.000112
Rb   -1.751164    1.714750    6.770563    0.000192   -0.000256    0.000282
Br    1.693727    1.602343    7.205071   -0.000214    0.000196   -0.000154
Rb    5.151192    1.549072    6.947474    0.000122   -0.000142   -0.000178
Br   -1.634489   -1.730258    6.684586   -0.000096    0.000232    0.000134
Rb    1.837664   -1.897143    7.340015    0.000062   -0.000110    0.000008
Br    5.328924   -1.893593    6.897947   -0.000344    0.000162    0.000274
Rb   -1.349116   -5.047278    6.195226    0.000146   -0.000112    0.000004
Br    1.997092   -5.332909    6.508594   -0.000232    0.000200    0.000238
Rb    5.381292   -5.231498    6.394881    0.000082   -0.000094   -0.000312
Br   -1.333028   -5.018274    2.826599   -0.000712   -0.000606   -0.000834
Rb    2.299764   -5.065985    2.968039    0.000160    0.001650   -0.001456
Br    5.794908   -5.422668    3.042564    0.000290   -0.000404    0.000670
Rb   -1.094655   -4.491987   -0.617706   -0.000438   -0.000722   -0.001638
Br    2.283018   -5.222132   -0.671797   -0.002048   -0.000446   -0.000734
Rb    5.739048   -4.977647   -0.414429   -0.001132    0.001010    0.001062
Br   -1.197074   -4.498600   -4.008170   -0.000278    0.000180    0.000170
Rb    2.225392   -4.641043   -4.105212    0.000136   -0.000058    0.000164
Br    5.636036   -4.658798   -3.825785    0.000006   -0.000090   -0.000382
O     0.456904    0.324732    1.428950   -0.016402    0.037878    0.014590
H     0.804236    1.229333    1.072487    0.466384   -0.878324   -0.632826
H    -0.178097    0.030023    0.736794   -0.102918   -0.293010    0.330324
O     3.359856    0.110505    1.600313   -0.007000    0.025446    0.016090
H     4.013874    0.619542    2.128564    0.000314   -0.364202    0.268542
H     2.807982   -0.357271    2.288024    0.205470   -0.550106   -0.470814
O     0.220254    3.448557    1.841418   -0.012926   -0.009722    0.004372
H     0.511298    4.146761    2.475856    0.370684   -0.163102   -0.100694
H    -0.528620    2.991261    2.285142    0.169936   -0.003896    0.240954
O     3.594905   -2.986981    1.190482   -0.005950   -0.003102    0.003792
H     4.244513   -2.507138    0.640120    0.154506   -0.086080    0.136930
H     3.118502   -3.596169    0.591056    0.246700   -0.153256   -0.013260
O     3.189386    3.382815    1.659576   -0.014756    0.005594    0.007728
H     3.721822    3.975596    1.094633    0.085168    0.079602    0.209800
H     2.458930    3.046494    1.065038    0.629498   -0.403598   -0.241958
O     0.626542   -2.931137    1.375127   -0.013876    0.000228    0.006196
H     1.008506   -2.422272    2.139790    0.533110   -0.177058   -0.327744
H     0.025809   -3.585340    1.789865    0.129386    0.129180    0.320044
66
* Frequency(169)  618.2200
Rb    5.171617    5.493499   -3.155224    0.000104   -0.000170   -0.000024
Rb    5.562029   -1.266874   -3.730134    0.000090   -0.000178    0.000304
Rb    5.409386   -1.938194    3.309797   -0.001652    0.000562   -0.002770
Rb    4.900874    4.947556    3.659033   -0.000172   -0.000702   -0.001144
Rb    1.957922   -1.350035   -0.696682   -0.000822    0.004642    0.003900
Rb    5.219717    1.852736   -0.105005   -0.001574    0.000784   -0.000490
Rb    1.979596    2.349471   -4.303471    0.000136   -0.000126    0.000026
Rb    1.844782    1.801230    3.733516   -0.000472    0.003398    0.003052
Rb    1.514915    5.518975    0.065399   -0.000010    0.002056   -0.001506
Rb   -1.599132    2.395241   -0.271563   -0.002564    0.000226   -0.003692
Rb   -1.558930    5.687227   -3.359690    0.000086   -0.000070   -0.000350
Rb   -1.339352   -1.092352   -3.904569    0.000088   -0.000150   -0.000168
Rb   -1.410503   -1.403182    3.145904   -0.000524    0.000564   -0.000984
Rb   -1.930368    5.433109    3.449904   -0.001270    0.001256    0.001186
Br    5.448834    2.177142   -3.644915   -0.000316    0.000276   -0.000076
Br    5.986240   -1.505006   -0.295529    0.000740    0.000992   -0.001320
Br    5.547343    1.538254    3.504457    0.000008    0.001636    0.000238
Br    5.148609    5.467610    0.213816   -0.000560   -0.000198   -0.000458
Br    1.825524    5.787536   -3.475918   -0.000328   -0.000034    0.000338
Br    2.117559   -1.148916   -4.166451   -0.000406    0.000356   -0.000154
Br    1.988535   -1.690265    3.998198   -0.002426    0.002290    0.001688
Br    1.525993    5.681047    3.705910   -0.002480   -0.000586   -0.000726
Br   -1.512656    2.349471   -3.859724   -0.000092    0.000170    0.000520
Br   -1.743295   -1.082329   -0.462011    0.000010    0.001274   -0.000934
Br   -2.169270    1.957871    3.336375    0.000574    0.001724   -0.001572
Br   -1.981616    5.880770   -0.008303    0.000424   -0.000712    0.000710
Br    1.822392    2.141923   -0.961577   -0.003844    0.004112    0.000500
Br   -1.826546    5.106696    6.861808    0.000050   -0.000058   -0.000456
Rb    1.583519    5.095128    7.137938    0.000182   -0.000092    0.000222
Br    5.006568    4.955303    7.048793   -0.000288    0.000110    0.000112
Rb   -1.751149    1.714730    6.770585    0.000192   -0.000256    0.000282
Br    1.693710    1.602358    7.205059   -0.000214    0.000196   -0.000154
Rb    5.151202    1.549061    6.947460    0.000122   -0.000142   -0.000178
Br   -1.634496   -1.730240    6.684596   -0.000096    0.000232    0.000134
Rb    1.837669   -1.897151    7.340015    0.000062   -0.000110    0.000008
Br    5.328897   -1.893581    6.897968   -0.000344    0.000162    0.000274
Rb   -1.349104   -5.047287    6.195226    0.000146   -0.000112    0.000004
Br    1.997074   -5.332893    6.508613   -0.000232    0.000200    0.000238
Rb    5.381298   -5.231506    6.394857    0.000082   -0.000094   -0.000312
Br   -1.333084   -5.018322    2.826534   -0.000712   -0.000606   -0.000834
Rb    2.299777   -5.065857    2.967925    0.000160    0.001650   -0.001456
Br    5.794931   -5.422699    3.042616    0.000290   -0.000404    0.000670
Rb   -1.094689   -4.492044   -0.617834   -0.000438   -0.000722   -0.001638
Br    2.282858   -5.222167   -0.671854   -0.002048   -0.000446   -0.000734
Rb    5.738959   -4.977568   -0.414346   -0.001132    0.001010    0.001062
Br   -1.197095   -4.498586   -4.008157   -0.000278    0.000180    0.000170
Rb    2.225403   -4.641048   -4.105199    0.000136   -0.000058    0.000164
Br    5.636037   -4.658805   -3.825815    0.000006   -0.000090   -0.000382
O     0.455624    0.327688    1.430089   -0.016402    0.037878    0.014590
H     0.840629    1.160794    1.023105    0.466384   -0.878324   -0.632826
H    -0.186128    0.007159    0.762571   -0.102918   -0.293010    0.330324
O     3.359310    0.112491    1.601569   -0.007000    0.025446    0.016090
H     4.013898    0.591122    2.149519    0.000314   -0.364202    0.268542
H     2.824015   -0.400198    2.251285    0.205470   -0.550106   -0.470814
O     0.219246    3.447798    1.841759   -0.012926   -0.009722    0.004372
H     0.540223    4.134034    2.467999    0.370684   -0.163102   -0.100694
H    -0.515359    2.990957    2.303945    0.169936   -0.003896    0.240954
O     3.594441   -2.987223    1.190778   -0.005950   -0.003102    0.003792
H     4.256570   -2.513855    0.650806    0.154506   -0.086080    0.136930
H     3.137753   -3.608128    0.590022    0.246700   -0.153256   -0.013260
O     3.188234    3.383251    1.660179   -0.014756    0.005594    0.007728
H     3.728468    3.981808    1.111004    0.085168    0.079602    0.209800
H     2.508052    3.014999    1.046157    0.629498   -0.403598   -0.241958
O     0.625459   -2.931119    1.375610   -0.013876    0.000228    0.006196
H     1.050107   -2.436088    2.114215    0.533110   -0.177058   -0.327744
H     0.035905   -3.575259    1.814840    0.129386    0.129180    0.320044
66
* Frequency(169)  618.2200
Rb    5.171627    5.493481   -3.155226    0.000104   -0.000170   -0.000024
Rb    5.562038   -1.266892   -3.730104    0.000090   -0.000178    0.000304
Rb    5.409219   -1.938137    3.309517   -0.001652    0.000562   -0.002770
Rb    4.900857    4.947485    3.658917   -0.000172   -0.000702   -0.001144
Rb    1.957838   -1.349565   -0.696287   -0.000822    0.004642    0.003900
Rb    5.219558    1.852816   -0.105054   -0.001574    0.000784   -0.000490
Rb    1.979610    2.349458   -4.303468    0.000136   -0.000126    0.000026
Rb    1.844735    1.801574    3.733825   -0.000472    0.003398    0.003052
Rb    1.514914    5.519183    0.065246   -0.000010    0.002056   -0.001506
Rb   -1.599392    2.395264   -0.271937   -0.002564    0.000226   -0.003692
Rb   -1.558922    5.687220   -3.359725    0.000086   -0.000070   -0.000350
Rb   -1.339343   -1.092367   -3.904586    0.000088   -0.000150   -0.000168
Rb   -1.410556   -1.403125    3.145804   -0.000524    0.000564   -0.000984
Rb   -1.930497    5.433236    3.450024   -0.001270    0.001256    0.001186
Br    5.448802    2.177170   -3.644922   -0.000316    0.000276   -0.000076
Br    5.986315   -1.504906   -0.295663    0.000740    0.000992   -0.001320
Br    5.547344    1.538420    3.504481    0.000008    0.001636    0.000238
Br    5.148553    5.467590    0.213770   -0.000560   -0.000198   -0.000458
Br    1.825490    5.787533   -3.475883   -0.000328   -0.000034    0.000338
Br    2.117518   -1.148879   -4.166466   -0.000406    0.000356   -0.000154
Br    1.988289   -1.690033    3.998369   -0.002426    0.002290    0.001688
Br    1.525742    5.680988    3.705837   -0.002480   -0.000586   -0.000726
Br   -1.512666    2.349489   -3.859671   -0.000092    0.000170    0.000520
Br   -1.743294   -1.082200   -0.462106    0.000010    0.001274   -0.000934
Br   -2.169212    1.958046    3.336216    0.000574    0.001724   -0.001572
Br   -1.981573    5.880698   -0.008231    0.000424   -0.000712    0.000710
Br    1.822003    2.142340   -0.961527   -0.003844    0.004112    0.000500
Br   -1.826541    5.106691    6.861762    0.000050   -0.000058   -0.000456
Rb    1.583537    5.095118    7.137961    0.000182   -0.000092    0.000222
Br    5.006539    4.955314    7.048804   -0.000288    0.000110    0.000112
Rb   -1.751130    1.714704    6.770614    0.000192   -0.000256    0.000282
Br    1.693688    1.602378    7.205044   -0.000214    0.000196   -0.000154
Rb    5.151214    1.549046    6.947442    0.000122   -0.000142   -0.000178
Br   -1.634506   -1.730216    6.684610   -0.000096    0.000232    0.000134
Rb    1.837675   -1.897162    7.340016    0.000062   -0.000110    0.000008
Br    5.328862   -1.893564    6.897996   -0.000344    0.000162    0.000274
Rb   -1.349090   -5.047298    6.195227    0.000146   -0.000112    0.000004
Br    1.997050   -5.332873    6.508637   -0.000232    0.000200    0.000238
Rb    5.381307   -5.231515    6.394825    0.000082   -0.000094   -0.000312
Br   -1.333156   -5.018383    2.826450   -0.000712   -0.000606   -0.000834
Rb    2.299793   -5.065690    2.967777    0.000160    0.001650   -0.001456
Br    5.794960   -5.422740    3.042684    0.000290   -0.000404    0.000670
Rb   -1.094733   -4.492117   -0.618000   -0.000438   -0.000722   -0.001638
Br    2.282651   -5.222212   -0.671929   -0.002048   -0.000446   -0.000734
Rb    5.738845   -4.977466   -0.414239   -0.001132    0.001010    0.001062
Br   -1.197123   -4.498567   -4.008139   -0.000278    0.000180    0.000170
Rb    2.225417   -4.641053   -4.105183    0.000136   -0.000058    0.000164
Br    5.636037   -4.658814   -3.825854    0.000006   -0.000090   -0.000382
O     0.453962    0.331526    1.431567   -0.016402    0.037878    0.014590
H     0.887888    1.071794    0.958981    0.466384   -0.878324   -0.632826
H    -0.196557   -0.022532    0.796042   -0.102918   -0.293010    0.330324
O     3.358601    0.115069    1.603199   -0.007000    0.025446    0.016090
H     4.013930    0.554218    2.176731    0.000314   -0.364202    0.268542
H     2.844835   -0.455940    2.203578    0.205470   -0.550106   -0.470814
O     0.217936    3.446813    1.842202   -0.012926   -0.009722    0.004372
H     0.577785    4.117507    2.457795    0.370684   -0.163102   -0.100694
H    -0.498139    2.990562    2.328361    0.169936   -0.003896    0.240954
O     3.593838   -2.987537    1.191162   -0.005950   -0.003102    0.003792
H     4.272226   -2.522577    0.664681    0.154506   -0.086080    0.136930
H     3.162751   -3.623657    0.588678    0.246700   -0.153256   -0.013260
O     3.186739    3.383818    1.660962   -0.014756    0.005594    0.007728
H     3.737098    3.989874    1.132263    0.085168    0.079602    0.209800
H     2.571839    2.974103    1.021639    0.629498   -0.403598   -0.241958
O     0.624053   -2.931096    1.376238   -0.013876    0.000228    0.006196
H     1.104127   -2.454029    2.081004    0.533110   -0.177058   -0.327744
H     0.049016   -3.562170    1.847270    0.129386    0.129180    0.320044
66
* Frequency(169)  618.2200
Rb    5.171639    5.493462   -3.155229    0.000104   -0.000170   -0.000024
Rb    5.562048   -1.266912   -3.730069    0.000090   -0.000178    0.000304
Rb    5.409031   -1.938073    3.309202   -0.001652    0.000562   -0.002770
Rb    4.900837    4.947405    3.658787   -0.000172   -0.000702   -0.001144
Rb    1.957745   -1.349037   -0.695844   -0.000822    0.004642    0.003900
Rb    5.219379    1.852905   -0.105110   -0.001574    0.000784   -0.000490
Rb    1.979625    2.349444   -4.303465    0.000136   -0.000126    0.000026
Rb    1.844681    1.801960    3.734172   -0.000472    0.003398    0.003052
Rb    1.514913    5.519417    0.065075   -0.000010    0.002056   -0.001506
Rb   -1.599683    2.395290   -0.272357   -0.002564    0.000226   -0.003692
Rb   -1.558912    5.687212   -3.359765    0.000086   -0.000070   -0.000350
Rb   -1.339333   -1.092384   -3.904605    0.000088   -0.000150   -0.000168
Rb   -1.410616   -1.403061    3.145692   -0.000524    0.000564   -0.000984
Rb   -1.930641    5.433379    3.450159   -0.001270    0.001256    0.001186
Br    5.448766    2.177201   -3.644931   -0.000316    0.000276   -0.000076
Br    5.986399   -1.504793   -0.295813    0.000740    0.000992   -0.001320
Br    5.547345    1.538606    3.504508    0.000008    0.001636    0.000238
Br    5.148489    5.467567    0.213718   -0.000560   -0.000198   -0.000458
Br    1.825453    5.787529   -3.475845   -0.000328   -0.000034    0.000338
Br    2.117472   -1.148839   -4.166484   -0.000406    0.000356   -0.000154
Br    1.988013   -1.689773    3.998561   -0.002426    0.002290    0.001688
Br    1.525460    5.680921    3.705754   -0.002480   -0.000586   -0.000726
Br   -1.512676    2.349508   -3.859612   -0.000092    0.000170    0.000520
Br   -1.743293   -1.082055   -0.462212    0.000010    0.001274   -0.000934
Br   -2.169147    1.958242    3.336037    0.000574    0.001724   -0.001572
Br   -1.981525    5.880617   -0.008150    0.000424   -0.000712    0.000710
Br    1.821566    2.142807   -0.961470   -0.003844    0.004112    0.000500
Br   -1.826535    5.106684    6.861710    0.000050   -0.000058   -0.000456
Rb    1.583558    5.095108    7.137986    0.000182   -0.000092    0.000222
Br    5.006506    4.955327    7.048817   -0.000288    0.000110    0.000112
Rb   -1.751108    1.714675    6.770646    0.000192   -0.000256    0.000282
Br    1.693664    1.602400    7.205026   -0.000214    0.000196   -0.000154
Rb    5.151228    1.549030    6.947422    0.000122   -0.000142   -0.000178
Br   -1.634517   -1.730190    6.684625   -0.000096    0.000232    0.000134
Rb    1.837682   -1.897175    7.340017    0.000062   -0.000110    0.000008
Br    5.328823   -1.893546    6.898027   -0.000344    0.000162    0.000274
Rb   -1.349073   -5.047311    6.195227    0.000146   -0.000112    0.000004
Br    1.997024   -5.332850    6.508664   -0.000232    0.000200    0.000238
Rb    5.381316   -5.231526    6.394790    0.000082   -0.000094   -0.000312
Br   -1.333237   -5.018452    2.826355   -0.000712   -0.000606   -0.000834
Rb    2.299811   -5.065502    2.967612    0.000160    0.001650   -0.001456
Br    5.794993   -5.422786    3.042760    0.000290   -0.000404    0.000670
Rb   -1.094783   -4.492199   -0.618186   -0.000438   -0.000722   -0.001638
Br    2.282418   -5.222263   -0.672012   -0.002048   -0.000446   -0.000734
Rb    5.738716   -4.977351   -0.414118   -0.001132    0.001010    0.001062
Br   -1.197155   -4.498547   -4.008120   -0.000278    0.000180    0.000170
Rb    2.225432   -4.641060   -4.105164    0.000136   -0.000058    0.000164
Br    5.636038   -4.658824   -3.825897    0.000006   -0.000090   -0.000382
O     0.452098    0.335831    1.433225   -0.016402    0.037878    0.014590
H     0.940890    0.971977    0.887064    0.466384   -0.878324   -0.632826
H    -0.208253   -0.055831    0.833582   -0.102918   -0.293010    0.330324
O     3.357805    0.117961    1.605028   -0.007000    0.025446    0.016090
H     4.013966    0.512828    2.207249    0.000314   -0.364202    0.268542
H     2.868186   -0.518457    2.150072    0.205470   -0.550106   -0.470814
O     0.216467    3.445708    1.842699   -0.012926   -0.009722    0.004372
H     0.619911    4.098971    2.446352    0.370684   -0.163102   -0.100694
H    -0.478827    2.990119    2.355744    0.169936   -0.003896    0.240954
O     3.593162   -2.987890    1.191593   -0.005950   -0.003102    0.003792
H     4.289785   -2.532360    0.680242    0.154506   -0.086080    0.136930
H     3.190787   -3.641074    0.587171    0.246700   -0.153256   -0.013260
O     3.185062    3.384454    1.661840   -0.014756    0.005594    0.007728
H     3.746777    3.998920    1.156106    0.085168    0.079602    0.209800
H     2.643378    2.928236    0.994142    0.629498   -0.403598   -0.241958
O     0.622476   -2.931070    1.376942   -0.013876    0.000228    0.006196
H     1.164712   -2.474151    2.043758    0.533110   -0.177058   -0.327744
H     0.063720   -3.547489    1.883641    0.129386    0.129180    0.320044
