File: ethanol.mop

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file content (16 lines) | stat: -rw-r--r-- 770 bytes parent folder | download | duplicates (3) 
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*
*   -55.868
*
 EF PM7
Ethanol
 D=1.69 H=-56.2 HR=C&P1970 I=10.6 IR=LLNBS82 DR=NLM1967 S=67.3 CP=15.68
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52316998 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.09830389 +1  110.9087357 +1    0.0000000 +0     2     1     0
  H     1.09847508 +1  110.8607114 +1  118.0885100 +1     2     1     3
  H     1.09372052 +1  111.6727897 +1 -120.9923621 +1     2     1     3
  H     1.10420349 +1  112.2733723 +1   57.9969535 +1     1     2     3
  H     1.10425184 +1  112.2572838 +1 -177.7790796 +1     1     2     3
  O     1.42277463 +1  104.7992177 +1  -59.8967035 +1     1     2     3
  H     0.97458720 +1  110.2813770 +1  179.9088417 +1     8     1     2