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c2h6.out
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c2h6.out
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*** Program ReadXYZ ***
Input file:c2h6.inp
Numat : 8
*Geo
C1 -0.57453 2.47623 -0.48026
C2 0.57453 2.39220 0.48026
H3 0.33673 2.98495 1.37585
H4 1.47709 2.79176 -0.00525
H5 0.73278 1.33972 0.75814
H6 -1.36100 3.10909 -0.04330
H7 -0.96496 1.46386 -0.66102
H8 -0.22065 2.91592 -1.42441
Molecular mass : 30.04695
Center of masses: -0.0000003019 2.4342155031 0.0000004025
Molecular coordinates reduced to mass center:
*Geo
C1 -0.574530 0.042014 -0.480260
C2 0.574530 -0.042016 0.480260
H3 0.336732 0.550731 1.375853
H4 1.477086 0.357549 -0.005252
H5 0.732783 -1.094493 0.758141
H6 -1.361000 0.674874 -0.043300
H7 -0.964960 -0.970356 -0.661020
H8 -0.220650 0.481704 -1.424410
Tensor of inertia:
13.835762 0.757600 -8.660168
0.757600 24.140410 0.633306
-8.660168 0.633306 16.956661
Principal moments of inertia (aem*A**2):
6.541178 24.195808 24.195847
Principal axes:
0.766041 0.243540 -0.594870
-0.056019 0.947219 0.315654
0.640346 -0.208480 0.739251
Molecule reduced to principal axes:
*Geo
C1 -0.750000 0.000001 -0.000001
C2 0.750000 -0.000001 -0.000001
H3 1.108122 0.316833 0.990630
H4 1.108115 0.699502 -0.769695
H5 1.108127 -1.016319 -0.220935
H6 -1.108114 0.316823 0.990635
H7 -1.108122 -1.016336 -0.220932
H8 -1.108127 0.699504 -0.769687
Rotated molecule:
*Geo
C1 -0.747146 -0.065366 -0.000001
C2 0.747146 0.065365 -0.000001
H3 1.076291 0.412207 0.990630
H4 1.042933 0.793419 -0.769695
H5 1.192488 -0.915872 -0.220935
H6 -1.131510 0.219039 0.990635
H7 -1.015326 -1.109048 -0.220932
H8 -1.164876 0.600262 -0.769687
Rotated molecule:
*Geo
C1 -0.738606 -0.130235 -0.000001
C2 0.738606 0.130235 -0.000001
H3 1.036269 0.504443 0.990630
H4 0.969813 0.881298 -0.769695
H5 1.267774 -0.808455 -0.220935
H6 -1.146295 0.119588 0.990635
H7 -0.914802 -1.193319 -0.220932
H8 -1.212760 0.496453 -0.769687
Rotated molecule:
*Geo
C1 -0.724444 -0.194114 -0.000001
C2 0.724444 0.194113 -0.000001
H3 0.988361 0.592841 0.990630
H4 0.889313 0.962469 -0.769695
H5 1.333411 -0.694885 -0.220935
H6 -1.152356 0.019227 0.990635
H7 -0.807317 -1.268509 -0.220932
H8 -1.251414 0.388864 -0.769687
Rotated molecule:
*Geo
C1 -0.704769 -0.256514 -0.000001
C2 0.704770 0.256514 -0.000001
H3 0.932930 0.676726 0.990630
H4 0.802044 1.036315 -0.769695
H5 1.388900 -0.576026 -0.220935
H6 -1.149647 -0.081281 0.990635
H7 -0.693687 -1.334044 -0.220932
H8 -1.280544 0.278317 -0.769687
Rotated molecule:
*Geo
C1 -0.679731 -0.316963 -0.000001
C2 0.679731 0.316962 -0.000001
H3 0.870400 0.755461 0.990630
H4 0.708671 1.102274 -0.769695
H5 1.433819 -0.452784 -0.220935
H6 -1.138188 -0.181170 0.990635
H7 -0.574778 -1.389426 -0.220932
H8 -1.299928 0.165651 -0.769687
Rotated molecule:
*Geo
C1 -0.649519 -0.374999 -0.000001
C2 0.649520 0.374999 -0.000001
H3 0.801245 0.828447 0.990630
H4 0.609905 1.159845 -0.769695
H5 1.467826 -0.326095 -0.220935
H6 -1.118067 -0.279680 0.990635
H7 -0.451494 -1.434234 -0.220932
H8 -1.309418 0.051724 -0.769687
Rotated molecule:
*Geo
C1 -0.614364 -0.430182 -0.000001
C2 0.614365 0.430181 -0.000001
H3 0.725992 0.895127 0.990630
H4 0.506497 1.208588 -0.769695
H5 1.490661 -0.196925 -0.220935
H6 -1.089436 -0.376062 0.990635
H7 -0.324774 -1.468127 -0.220932
H8 -1.308944 -0.062596 -0.769687
Rotated molecule:
*Geo
C1 -0.574534 -0.482090 -0.000001
C2 0.574534 0.482090 -0.000001
H3 0.645214 0.954995 0.990630
H4 0.399234 1.248133 -0.769695
H5 1.502152 -0.066256 -0.220935
H6 -1.052515 -0.469581 0.990635
H7 -0.195583 -1.490846 -0.220932
H8 -1.298507 -0.176439 -0.769687
Rotated molecule:
*Geo
C1 -0.530330 -0.530329 -0.000001
C2 0.530331 0.530329 -0.000001
H3 0.559525 1.007595 0.990630
H4 0.288933 1.278179 -0.769695
H5 1.502210 0.064917 -0.220935
H6 -1.007583 -0.559527 0.990635
H7 -0.064903 -1.502219 -0.220932
H8 -1.278188 -0.288940 -0.769687
Rotated molecule:
*Geo
C1 -0.482091 -0.574533 -0.000001
C2 0.482092 0.574532 -0.000001
H3 0.469578 1.052527 0.990630
H4 0.176433 1.298497 -0.769695
H5 1.490836 0.195597 -0.220935
H6 -0.954983 -0.645214 0.990635
H7 0.066271 -1.502159 -0.220932
H8 -1.248142 -0.399242 -0.769687
Rotated molecule:
*Geo
C1 -0.430183 -0.614363 -0.000001
C2 0.430183 0.614363 -0.000001
H3 0.376058 1.089448 0.990630
H4 0.062590 1.308933 -0.769695
H5 1.468116 0.324787 -0.220935
H6 -0.895115 -0.725991 0.990635
H7 0.196941 -1.490667 -0.220932
H8 -1.208596 -0.506506 -0.769687
Rotated molecule:
*Geo
C1 -0.375000 -0.649519 -0.000001
C2 0.375001 0.649518 -0.000001
H3 0.279675 1.118078 0.990630
H4 -0.051729 1.309407 -0.769695
H5 1.434222 0.451506 -0.220935
H6 -0.828434 -0.801243 0.990635
H7 0.326112 -1.467830 -0.220932
H8 -1.159852 -0.609914 -0.769687
Rotated molecule:
*Geo
C1 -0.316964 -0.679730 -0.000001
C2 0.316965 0.679730 -0.000001
H3 0.181164 1.138199 0.990630
H4 -0.165655 1.299916 -0.769695
H5 1.389413 0.574789 -0.220935
H6 -0.755449 -0.870397 0.990635
H7 0.452801 -1.433822 -0.220932
H8 -1.102281 -0.708681 -0.769687
Rotated molecule:
*Geo
C1 -0.256516 -0.704769 -0.000001
C2 0.256516 0.704769 -0.000001
H3 0.081274 1.149657 0.990630
H4 -0.278320 1.280532 -0.769695
H5 1.334030 0.693697 -0.220935
H6 -0.676714 -0.932927 0.990635
H7 0.576043 -1.388902 -0.220932
H8 -1.036321 -0.802055 -0.769687
Rotated molecule:
*Geo
C1 -0.194115 -0.724444 -0.000001
C2 0.194115 0.724444 -0.000001
H3 -0.019235 1.152366 0.990630
H4 -0.388866 1.251402 -0.769695
H5 1.268494 0.807325 -0.220935
H6 -0.592829 -0.988356 0.990635
H7 0.694902 -1.333411 -0.220932
H8 -0.962473 -0.889324 -0.769687
Rotated molecule:
*Geo
C1 -0.130237 -0.738605 -0.000001
C2 0.130237 0.738605 -0.000001
H3 -0.119597 1.146304 0.990630
H4 -0.496453 1.212748 -0.769695
H5 1.193303 0.914810 -0.220935
H6 -0.504432 -1.036263 0.990635
H7 0.808472 -1.267772 -0.220932
H8 -0.881301 -0.969825 -0.769687
Rotated molecule:
*Geo
C1 -0.065367 -0.747146 -0.000001
C2 0.065368 0.747146 -0.000001
H3 -0.219049 1.131519 0.990630
H4 -0.600262 1.164864 -0.769695
H5 1.109032 1.015332 -0.220935
H6 -0.412196 -1.076284 0.990635
H7 0.915889 -1.192485 -0.220932
H8 -0.793422 -1.042945 -0.769687
Rotated molecule:
*Geo
C1 -0.000001 -0.750000 -0.000001
C2 0.000001 0.750000 -0.000001
H3 -0.316833 1.108122 0.990630
H4 -0.699502 1.108115 -0.769695
H5 1.016319 1.108127 -0.220935
H6 -0.316823 -1.108114 0.990635
H7 1.016336 -1.108122 -0.220932
H8 -0.699504 -1.108127 -0.769687
Rotated molecule:
*Geo
C1 0.065366 -0.747146 -0.000001
C2 -0.065365 0.747146 -0.000001
H3 -0.412207 1.076291 0.990630
H4 -0.793419 1.042933 -0.769695
H5 0.915872 1.192488 -0.220935
H6 -0.219039 -1.131510 0.990635
H7 1.109048 -1.015326 -0.220932
H8 -0.600262 -1.164876 -0.769687
Rotated molecule:
*Geo
C1 0.130235 -0.738606 -0.000001
C2 -0.130235 0.738606 -0.000001
H3 -0.504443 1.036269 0.990630
H4 -0.881298 0.969813 -0.769695
H5 0.808455 1.267774 -0.220935
H6 -0.119588 -1.146295 0.990635
H7 1.193319 -0.914802 -0.220932
H8 -0.496453 -1.212760 -0.769687
Rotated molecule:
*Geo
C1 0.194114 -0.724444 -0.000001
C2 -0.194113 0.724444 -0.000001
H3 -0.592841 0.988361 0.990630
H4 -0.962469 0.889313 -0.769695
H5 0.694885 1.333411 -0.220935
H6 -0.019227 -1.152356 0.990635
H7 1.268509 -0.807317 -0.220932
H8 -0.388864 -1.251414 -0.769687
Rotated molecule:
*Geo
C1 0.256514 -0.704769 -0.000001
C2 -0.256514 0.704770 -0.000001
H3 -0.676726 0.932930 0.990630
H4 -1.036315 0.802044 -0.769695
H5 0.576026 1.388900 -0.220935
H6 0.081281 -1.149647 0.990635
H7 1.334044 -0.693687 -0.220932
H8 -0.278317 -1.280544 -0.769687
Rotated molecule:
*Geo
C1 0.316963 -0.679731 -0.000001
C2 -0.316962 0.679731 -0.000001
H3 -0.755461 0.870400 0.990630
H4 -1.102274 0.708671 -0.769695
H5 0.452784 1.433819 -0.220935
H6 0.181170 -1.138188 0.990635
H7 1.389426 -0.574778 -0.220932
H8 -0.165651 -1.299928 -0.769687
Rotated molecule:
*Geo
C1 0.374999 -0.649519 -0.000001
C2 -0.374999 0.649520 -0.000001
H3 -0.828447 0.801245 0.990630
H4 -1.159845 0.609905 -0.769695
H5 0.326095 1.467826 -0.220935
H6 0.279680 -1.118067 0.990635
H7 1.434234 -0.451494 -0.220932
H8 -0.051724 -1.309418 -0.769687
Rotated molecule:
*Geo
C1 0.430182 -0.614364 -0.000001
C2 -0.430181 0.614365 -0.000001
H3 -0.895127 0.725992 0.990630
H4 -1.208588 0.506497 -0.769695
H5 0.196925 1.490661 -0.220935
H6 0.376062 -1.089436 0.990635
H7 1.468127 -0.324774 -0.220932
H8 0.062596 -1.308944 -0.769687
Rotated molecule:
*Geo
C1 0.482090 -0.574534 -0.000001
C2 -0.482090 0.574534 -0.000001
H3 -0.954995 0.645214 0.990630
H4 -1.248133 0.399234 -0.769695
H5 0.066256 1.502152 -0.220935
H6 0.469581 -1.052515 0.990635
H7 1.490846 -0.195583 -0.220932
H8 0.176439 -1.298507 -0.769687
Rotated molecule:
*Geo
C1 0.530329 -0.530330 -0.000001
C2 -0.530329 0.530331 -0.000001
H3 -1.007595 0.559525 0.990630
H4 -1.278179 0.288933 -0.769695
H5 -0.064917 1.502210 -0.220935
H6 0.559527 -1.007583 0.990635
H7 1.502219 -0.064903 -0.220932
H8 0.288940 -1.278188 -0.769687
Rotated molecule:
*Geo
C1 0.574533 -0.482091 -0.000001
C2 -0.574532 0.482092 -0.000001
H3 -1.052527 0.469578 0.990630
H4 -1.298497 0.176433 -0.769695
H5 -0.195597 1.490836 -0.220935
H6 0.645214 -0.954983 0.990635
H7 1.502159 0.066271 -0.220932
H8 0.399242 -1.248142 -0.769687
Rotated molecule:
*Geo
C1 0.614363 -0.430183 -0.000001
C2 -0.614363 0.430183 -0.000001
H3 -1.089448 0.376058 0.990630
H4 -1.308933 0.062590 -0.769695
H5 -0.324787 1.468116 -0.220935
H6 0.725991 -0.895115 0.990635
H7 1.490667 0.196941 -0.220932
H8 0.506506 -1.208596 -0.769687
Rotated molecule:
*Geo
C1 0.649519 -0.375000 -0.000001
C2 -0.649518 0.375001 -0.000001
H3 -1.118078 0.279675 0.990630
H4 -1.309407 -0.051729 -0.769695
H5 -0.451506 1.434222 -0.220935
H6 0.801243 -0.828434 0.990635
H7 1.467830 0.326112 -0.220932
H8 0.609914 -1.159852 -0.769687
Rotated molecule:
*Geo
C1 0.679730 -0.316964 -0.000001
C2 -0.679730 0.316965 -0.000001
H3 -1.138199 0.181164 0.990630
H4 -1.299916 -0.165655 -0.769695
H5 -0.574789 1.389413 -0.220935
H6 0.870397 -0.755449 0.990635
H7 1.433822 0.452801 -0.220932
H8 0.708681 -1.102281 -0.769687
Rotated molecule:
*Geo
C1 0.704769 -0.256516 -0.000001
C2 -0.704769 0.256516 -0.000001
H3 -1.149657 0.081274 0.990630
H4 -1.280532 -0.278320 -0.769695
H5 -0.693697 1.334030 -0.220935
H6 0.932927 -0.676714 0.990635
H7 1.388902 0.576043 -0.220932
H8 0.802055 -1.036321 -0.769687
Rotated molecule:
*Geo
C1 0.724444 -0.194115 -0.000001
C2 -0.724444 0.194115 -0.000001
H3 -1.152366 -0.019235 0.990630
H4 -1.251402 -0.388866 -0.769695
H5 -0.807325 1.268494 -0.220935
H6 0.988356 -0.592829 0.990635
H7 1.333411 0.694902 -0.220932
H8 0.889324 -0.962473 -0.769687
Rotated molecule:
*Geo
C1 0.738605 -0.130237 -0.000001
C2 -0.738605 0.130237 -0.000001
H3 -1.146304 -0.119597 0.990630
H4 -1.212748 -0.496453 -0.769695
H5 -0.914810 1.193303 -0.220935
H6 1.036263 -0.504432 0.990635
H7 1.267772 0.808472 -0.220932
H8 0.969825 -0.881301 -0.769687
Rotated molecule:
*Geo
C1 0.747146 -0.065367 -0.000001
C2 -0.747146 0.065368 -0.000001
H3 -1.131519 -0.219049 0.990630
H4 -1.164864 -0.600262 -0.769695
H5 -1.015332 1.109032 -0.220935
H6 1.076284 -0.412196 0.990635
H7 1.192485 0.915889 -0.220932
H8 1.042945 -0.793422 -0.769687
Rotated molecule:
*Geo
C1 0.750000 -0.000001 -0.000001
C2 -0.750000 0.000001 -0.000001
H3 -1.108122 -0.316833 0.990630
H4 -1.108115 -0.699502 -0.769695
H5 -1.108127 1.016319 -0.220935
H6 1.108114 -0.316823 0.990635
H7 1.108122 1.016336 -0.220932
H8 1.108127 -0.699504 -0.769687
Rotated molecule:
*Geo
C1 0.747146 0.065366 -0.000001
C2 -0.747146 -0.065365 -0.000001
H3 -1.076291 -0.412207 0.990630
H4 -1.042933 -0.793419 -0.769695
H5 -1.192488 0.915872 -0.220935
H6 1.131510 -0.219039 0.990635
H7 1.015326 1.109048 -0.220932
H8 1.164876 -0.600262 -0.769687
Rotated molecule:
*Geo
C1 0.738606 0.130235 -0.000001
C2 -0.738606 -0.130235 -0.000001
H3 -1.036269 -0.504443 0.990630
H4 -0.969813 -0.881298 -0.769695
H5 -1.267774 0.808455 -0.220935
H6 1.146295 -0.119588 0.990635
H7 0.914802 1.193319 -0.220932
H8 1.212760 -0.496453 -0.769687
Rotated molecule:
*Geo
C1 0.724444 0.194114 -0.000001
C2 -0.724444 -0.194113 -0.000001
H3 -0.988361 -0.592841 0.990630
H4 -0.889313 -0.962469 -0.769695
H5 -1.333411 0.694885 -0.220935
H6 1.152356 -0.019227 0.990635
H7 0.807317 1.268509 -0.220932
H8 1.251414 -0.388864 -0.769687
Rotated molecule:
*Geo
C1 0.704769 0.256514 -0.000001
C2 -0.704770 -0.256514 -0.000001
H3 -0.932930 -0.676726 0.990630
H4 -0.802044 -1.036315 -0.769695
H5 -1.388900 0.576026 -0.220935
H6 1.149647 0.081281 0.990635
H7 0.693687 1.334044 -0.220932
H8 1.280544 -0.278317 -0.769687
Rotated molecule:
*Geo
C1 0.679731 0.316963 -0.000001
C2 -0.679731 -0.316962 -0.000001
H3 -0.870400 -0.755461 0.990630
H4 -0.708671 -1.102274 -0.769695
H5 -1.433819 0.452784 -0.220935
H6 1.138188 0.181170 0.990635
H7 0.574778 1.389426 -0.220932
H8 1.299928 -0.165651 -0.769687
Rotated molecule:
*Geo
C1 0.649519 0.374999 -0.000001
C2 -0.649520 -0.374999 -0.000001
H3 -0.801245 -0.828447 0.990630
H4 -0.609905 -1.159845 -0.769695
H5 -1.467826 0.326095 -0.220935
H6 1.118067 0.279680 0.990635
H7 0.451494 1.434234 -0.220932
H8 1.309418 -0.051724 -0.769687
Rotated molecule:
*Geo
C1 0.614364 0.430182 -0.000001
C2 -0.614365 -0.430181 -0.000001
H3 -0.725992 -0.895127 0.990630
H4 -0.506497 -1.208588 -0.769695
H5 -1.490661 0.196925 -0.220935
H6 1.089436 0.376062 0.990635
H7 0.324774 1.468127 -0.220932
H8 1.308944 0.062596 -0.769687
Rotated molecule:
*Geo
C1 0.574534 0.482090 -0.000001
C2 -0.574534 -0.482090 -0.000001
H3 -0.645214 -0.954995 0.990630
H4 -0.399234 -1.248133 -0.769695
H5 -1.502152 0.066256 -0.220935
H6 1.052515 0.469581 0.990635
H7 0.195583 1.490846 -0.220932
H8 1.298507 0.176439 -0.769687
Rotated molecule:
*Geo
C1 0.530330 0.530329 -0.000001
C2 -0.530331 -0.530329 -0.000001
H3 -0.559525 -1.007595 0.990630
H4 -0.288933 -1.278179 -0.769695
H5 -1.502210 -0.064917 -0.220935
H6 1.007583 0.559527 0.990635
H7 0.064903 1.502219 -0.220932
H8 1.278188 0.288940 -0.769687
Rotated molecule:
*Geo
C1 0.482091 0.574533 -0.000001
C2 -0.482092 -0.574532 -0.000001
H3 -0.469578 -1.052527 0.990630
H4 -0.176433 -1.298497 -0.769695
H5 -1.490836 -0.195597 -0.220935
H6 0.954983 0.645214 0.990635
H7 -0.066271 1.502159 -0.220932
H8 1.248142 0.399242 -0.769687
Rotated molecule:
*Geo
C1 0.430183 0.614363 -0.000001
C2 -0.430183 -0.614363 -0.000001
H3 -0.376058 -1.089448 0.990630
H4 -0.062590 -1.308933 -0.769695
H5 -1.468116 -0.324787 -0.220935
H6 0.895115 0.725991 0.990635
H7 -0.196941 1.490667 -0.220932
H8 1.208596 0.506506 -0.769687
Rotated molecule:
*Geo
C1 0.375000 0.649519 -0.000001
C2 -0.375001 -0.649518 -0.000001
H3 -0.279675 -1.118078 0.990630
H4 0.051729 -1.309407 -0.769695
H5 -1.434222 -0.451506 -0.220935
H6 0.828434 0.801243 0.990635
H7 -0.326112 1.467830 -0.220932
H8 1.159852 0.609914 -0.769687
Rotated molecule:
*Geo
C1 0.316964 0.679730 -0.000001
C2 -0.316965 -0.679730 -0.000001
H3 -0.181164 -1.138199 0.990630
H4 0.165655 -1.299916 -0.769695
H5 -1.389413 -0.574789 -0.220935
H6 0.755449 0.870397 0.990635
H7 -0.452801 1.433822 -0.220932
H8 1.102281 0.708681 -0.769687
Rotated molecule:
*Geo
C1 0.256516 0.704769 -0.000001
C2 -0.256516 -0.704769 -0.000001
H3 -0.081274 -1.149657 0.990630
H4 0.278320 -1.280532 -0.769695
H5 -1.334030 -0.693697 -0.220935
H6 0.676714 0.932927 0.990635
H7 -0.576043 1.388902 -0.220932
H8 1.036321 0.802055 -0.769687
Rotated molecule:
*Geo
C1 0.194115 0.724444 -0.000001
C2 -0.194115 -0.724444 -0.000001
H3 0.019235 -1.152366 0.990630
H4 0.388866 -1.251402 -0.769695
H5 -1.268494 -0.807325 -0.220935
H6 0.592829 0.988356 0.990635
H7 -0.694902 1.333411 -0.220932
H8 0.962473 0.889324 -0.769687
Rotated molecule:
*Geo
C1 0.130237 0.738605 -0.000001
C2 -0.130237 -0.738605 -0.000001
H3 0.119597 -1.146304 0.990630
H4 0.496453 -1.212748 -0.769695
H5 -1.193303 -0.914810 -0.220935
H6 0.504432 1.036263 0.990635
H7 -0.808472 1.267772 -0.220932
H8 0.881301 0.969825 -0.769687
Rotated molecule:
*Geo
C1 0.065367 0.747146 -0.000001
C2 -0.065368 -0.747146 -0.000001
H3 0.219049 -1.131519 0.990630
H4 0.600262 -1.164864 -0.769695
H5 -1.109032 -1.015332 -0.220935
H6 0.412196 1.076284 0.990635
H7 -0.915889 1.192485 -0.220932
H8 0.793422 1.042945 -0.769687
Rotated molecule:
*Geo
C1 0.000001 0.750000 -0.000001
C2 -0.000001 -0.750000 -0.000001
H3 0.316833 -1.108122 0.990630
H4 0.699502 -1.108115 -0.769695
H5 -1.016319 -1.108127 -0.220935
H6 0.316823 1.108114 0.990635
H7 -1.016336 1.108122 -0.220932
H8 0.699504 1.108127 -0.769687
Rotated molecule:
*Geo
C1 -0.065366 0.747146 -0.000001
C2 0.065365 -0.747146 -0.000001
H3 0.412207 -1.076291 0.990630
H4 0.793419 -1.042933 -0.769695
H5 -0.915872 -1.192488 -0.220935
H6 0.219039 1.131510 0.990635
H7 -1.109048 1.015326 -0.220932
H8 0.600262 1.164876 -0.769687
Rotated molecule:
*Geo
C1 -0.130235 0.738606 -0.000001
C2 0.130235 -0.738606 -0.000001
H3 0.504443 -1.036269 0.990630
H4 0.881298 -0.969813 -0.769695
H5 -0.808455 -1.267774 -0.220935
H6 0.119588 1.146295 0.990635
H7 -1.193319 0.914802 -0.220932
H8 0.496453 1.212760 -0.769687
Rotated molecule:
*Geo
C1 -0.194114 0.724444 -0.000001
C2 0.194113 -0.724444 -0.000001
H3 0.592841 -0.988361 0.990630
H4 0.962469 -0.889313 -0.769695
H5 -0.694885 -1.333411 -0.220935
H6 0.019227 1.152356 0.990635
H7 -1.268509 0.807317 -0.220932
H8 0.388864 1.251414 -0.769687
Rotated molecule:
*Geo
C1 -0.256514 0.704769 -0.000001
C2 0.256514 -0.704770 -0.000001
H3 0.676726 -0.932930 0.990630
H4 1.036315 -0.802044 -0.769695
H5 -0.576026 -1.388900 -0.220935
H6 -0.081281 1.149647 0.990635
H7 -1.334044 0.693687 -0.220932
H8 0.278317 1.280544 -0.769687
Rotated molecule:
*Geo
C1 -0.316963 0.679731 -0.000001
C2 0.316962 -0.679731 -0.000001
H3 0.755461 -0.870400 0.990630
H4 1.102274 -0.708671 -0.769695
H5 -0.452784 -1.433819 -0.220935
H6 -0.181170 1.138188 0.990635
H7 -1.389426 0.574778 -0.220932
H8 0.165651 1.299928 -0.769687
Rotated molecule:
*Geo
C1 -0.374999 0.649519 -0.000001
C2 0.374999 -0.649520 -0.000001
H3 0.828447 -0.801245 0.990630
H4 1.159845 -0.609905 -0.769695
H5 -0.326095 -1.467826 -0.220935
H6 -0.279680 1.118067 0.990635
H7 -1.434234 0.451494 -0.220932
H8 0.051724 1.309418 -0.769687
Rotated molecule:
*Geo
C1 -0.430182 0.614364 -0.000001
C2 0.430181 -0.614365 -0.000001
H3 0.895127 -0.725992 0.990630
H4 1.208588 -0.506497 -0.769695
H5 -0.196925 -1.490661 -0.220935
H6 -0.376062 1.089436 0.990635
H7 -1.468127 0.324774 -0.220932
H8 -0.062596 1.308944 -0.769687
Rotated molecule:
*Geo
C1 -0.482090 0.574534 -0.000001
C2 0.482090 -0.574534 -0.000001
H3 0.954995 -0.645214 0.990630
H4 1.248133 -0.399234 -0.769695
H5 -0.066256 -1.502152 -0.220935
H6 -0.469581 1.052515 0.990635
H7 -1.490846 0.195583 -0.220932
H8 -0.176439 1.298507 -0.769687
Rotated molecule:
*Geo
C1 -0.530329 0.530330 -0.000001
C2 0.530329 -0.530331 -0.000001
H3 1.007595 -0.559525 0.990630
H4 1.278179 -0.288933 -0.769695
H5 0.064917 -1.502210 -0.220935
H6 -0.559527 1.007583 0.990635
H7 -1.502219 0.064903 -0.220932
H8 -0.288940 1.278188 -0.769687
Rotated molecule:
*Geo
C1 -0.574533 0.482091 -0.000001
C2 0.574532 -0.482092 -0.000001
H3 1.052527 -0.469578 0.990630
H4 1.298497 -0.176433 -0.769695
H5 0.195597 -1.490836 -0.220935
H6 -0.645214 0.954983 0.990635
H7 -1.502159 -0.066271 -0.220932
H8 -0.399242 1.248142 -0.769687
Rotated molecule:
*Geo
C1 -0.614363 0.430183 -0.000001
C2 0.614363 -0.430183 -0.000001
H3 1.089448 -0.376058 0.990630
H4 1.308933 -0.062590 -0.769695
H5 0.324787 -1.468116 -0.220935
H6 -0.725991 0.895115 0.990635
H7 -1.490667 -0.196941 -0.220932
H8 -0.506506 1.208596 -0.769687
Rotated molecule:
*Geo
C1 -0.649519 0.375000 -0.000001
C2 0.649518 -0.375001 -0.000001
H3 1.118078 -0.279675 0.990630
H4 1.309407 0.051729 -0.769695
H5 0.451506 -1.434222 -0.220935
H6 -0.801243 0.828434 0.990635
H7 -1.467830 -0.326112 -0.220932
H8 -0.609914 1.159852 -0.769687
Rotated molecule:
*Geo
C1 -0.679730 0.316964 -0.000001
C2 0.679730 -0.316965 -0.000001
H3 1.138199 -0.181164 0.990630
H4 1.299916 0.165655 -0.769695
H5 0.574789 -1.389413 -0.220935
H6 -0.870397 0.755449 0.990635
H7 -1.433822 -0.452801 -0.220932
H8 -0.708681 1.102281 -0.769687
Rotated molecule:
*Geo
C1 -0.704769 0.256516 -0.000001
C2 0.704769 -0.256516 -0.000001
H3 1.149657 -0.081274 0.990630
H4 1.280532 0.278320 -0.769695
H5 0.693697 -1.334030 -0.220935
H6 -0.932927 0.676714 0.990635
H7 -1.388902 -0.576043 -0.220932
H8 -0.802055 1.036321 -0.769687
Rotated molecule:
*Geo
C1 -0.724444 0.194115 -0.000001
C2 0.724444 -0.194115 -0.000001
H3 1.152366 0.019235 0.990630
H4 1.251402 0.388866 -0.769695
H5 0.807325 -1.268494 -0.220935
H6 -0.988356 0.592829 0.990635
H7 -1.333411 -0.694902 -0.220932
H8 -0.889324 0.962473 -0.769687
Rotated molecule:
*Geo
C1 -0.738605 0.130237 -0.000001
C2 0.738605 -0.130237 -0.000001
H3 1.146304 0.119597 0.990630
H4 1.212748 0.496453 -0.769695
H5 0.914810 -1.193303 -0.220935
H6 -1.036263 0.504432 0.990635
H7 -1.267772 -0.808472 -0.220932
H8 -0.969825 0.881301 -0.769687
Rotated molecule:
*Geo
C1 -0.747146 0.065367 -0.000001
C2 0.747146 -0.065368 -0.000001
H3 1.131519 0.219049 0.990630
H4 1.164864 0.600262 -0.769695
H5 1.015332 -1.109032 -0.220935
H6 -1.076284 0.412196 0.990635
H7 -1.192485 -0.915889 -0.220932
H8 -1.042945 0.793422 -0.769687
Rotated molecule:
*Geo
C1 -0.750000 0.000001 -0.000001
C2 0.750000 -0.000001 -0.000001
H3 1.108122 0.316833 0.990630
H4 1.108115 0.699502 -0.769695
H5 1.108127 -1.016319 -0.220935
H6 -1.108114 0.316823 0.990635
H7 -1.108122 -1.016336 -0.220932
H8 -1.108127 0.699504 -0.769687
Rotated molecule:
*Geo
C1 -0.747146 -0.065366 -0.000001
C2 0.747146 0.065365 -0.000001
H3 1.076291 0.412207 0.990630
H4 1.042933 0.793419 -0.769695
H5 1.192488 -0.915872 -0.220935
H6 -1.131510 0.219039 0.990635
H7 -1.015326 -1.109048 -0.220932
H8 -1.164876 0.600262 -0.769687
Rotated molecule:
*Geo
C1 -0.738606 -0.130235 -0.000001
C2 0.738606 0.130235 -0.000001
H3 1.036269 0.504443 0.990630
H4 0.969813 0.881298 -0.769695
H5 1.267774 -0.808455 -0.220935
H6 -1.146295 0.119588 0.990635
H7 -0.914802 -1.193319 -0.220932
H8 -1.212760 0.496453 -0.769687
Rotated molecule:
*Geo
C1 -0.724444 -0.194114 -0.000001
C2 0.724444 0.194113 -0.000001
H3 0.988361 0.592841 0.990630
H4 0.889313 0.962469 -0.769695
H5 1.333411 -0.694885 -0.220935
H6 -1.152356 0.019227 0.990635
H7 -0.807317 -1.268509 -0.220932
H8 -1.251414 0.388864 -0.769687
Rotated molecule:
*Geo
C1 -0.704769 -0.256514 -0.000001
C2 0.704770 0.256514 -0.000001
H3 0.932930 0.676726 0.990630
H4 0.802044 1.036315 -0.769695
H5 1.388900 -0.576026 -0.220935
H6 -1.149647 -0.081281 0.990635
H7 -0.693687 -1.334044 -0.220932
H8 -1.280544 0.278317 -0.769687
Rotated molecule:
*Geo
C1 -0.679731 -0.316963 -0.000001
C2 0.679731 0.316962 -0.000001
H3 0.870400 0.755461 0.990630
H4 0.708671 1.102274 -0.769695
H5 1.433819 -0.452784 -0.220935
H6 -1.138188 -0.181170 0.990635
H7 -0.574778 -1.389426 -0.220932
H8 -1.299928 0.165651 -0.769687
Rotated molecule:
*Geo
C1 -0.649519 -0.374999 -0.000001
C2 0.649520 0.374999 -0.000001
H3 0.801245 0.828447 0.990630
H4 0.609905 1.159845 -0.769695
H5 1.467826 -0.326095 -0.220935
H6 -1.118067 -0.279680 0.990635
H7 -0.451494 -1.434234 -0.220932
H8 -1.309418 0.051724 -0.769687
Rotated molecule:
*Geo
C1 -0.614364 -0.430182 -0.000001
C2 0.614365 0.430181 -0.000001
H3 0.725992 0.895127 0.990630
H4 0.506497 1.208588 -0.769695
H5 1.490661 -0.196925 -0.220935
H6 -1.089436 -0.376062 0.990635
H7 -0.324774 -1.468127 -0.220932
H8 -1.308944 -0.062596 -0.769687
Rotated molecule:
*Geo
C1 -0.574534 -0.482090 -0.000001
C2 0.574534 0.482090 -0.000001
H3 0.645214 0.954995 0.990630
H4 0.399234 1.248133 -0.769695
H5 1.502152 -0.066256 -0.220935
H6 -1.052515 -0.469581 0.990635
H7 -0.195583 -1.490846 -0.220932
H8 -1.298507 -0.176439 -0.769687
Rotated molecule:
*Geo
C1 -0.530330 -0.530329 -0.000001
C2 0.530331 0.530329 -0.000001
H3 0.559525 1.007595 0.990630
H4 0.288933 1.278179 -0.769695
H5 1.502210 0.064917 -0.220935
H6 -1.007583 -0.559527 0.990635
H7 -0.064903 -1.502219 -0.220932
H8 -1.278188 -0.288940 -0.769687
Rotated molecule:
*Geo
C1 -0.482091 -0.574533 -0.000001
C2 0.482092 0.574532 -0.000001
H3 0.469578 1.052527 0.990630
H4 0.176433 1.298497 -0.769695
H5 1.490836 0.195597 -0.220935
H6 -0.954983 -0.645214 0.990635
H7 0.066271 -1.502159 -0.220932
H8 -1.248142 -0.399242 -0.769687
Rotated molecule:
*Geo
C1 -0.430183 -0.614363 -0.000001
C2 0.430183 0.614363 -0.000001
H3 0.376058 1.089448 0.990630
H4 0.062590 1.308933 -0.769695
H5 1.468116 0.324787 -0.220935
H6 -0.895115 -0.725991 0.990635
H7 0.196941 -1.490667 -0.220932
H8 -1.208596 -0.506506 -0.769687
Rotated molecule:
*Geo
C1 -0.375000 -0.649519 -0.000001
C2 0.375001 0.649518 -0.000001
H3 0.279675 1.118078 0.990630
H4 -0.051729 1.309407 -0.769695
H5 1.434222 0.451506 -0.220935
H6 -0.828434 -0.801243 0.990635
H7 0.326112 -1.467830 -0.220932
H8 -1.159852 -0.609914 -0.769687
Rotated molecule:
*Geo
C1 -0.316964 -0.679730 -0.000001
C2 0.316965 0.679730 -0.000001
H3 0.181164 1.138199 0.990630
H4 -0.165655 1.299916 -0.769695
H5 1.389413 0.574789 -0.220935
H6 -0.755449 -0.870397 0.990635
H7 0.452801 -1.433822 -0.220932
H8 -1.102281 -0.708681 -0.769687
Rotated molecule:
*Geo
C1 -0.256516 -0.704769 -0.000001
C2 0.256516 0.704769 -0.000001
H3 0.081274 1.149657 0.990630
H4 -0.278320 1.280532 -0.769695
H5 1.334030 0.693697 -0.220935
H6 -0.676714 -0.932927 0.990635
H7 0.576043 -1.388902 -0.220932
H8 -1.036321 -0.802055 -0.769687
Rotated molecule:
*Geo
C1 -0.194115 -0.724444 -0.000001