File: ethylene.mop

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file content (16 lines) | stat: -rw-r--r-- 581 bytes parent folder | download | duplicates (3) 
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*
*    13.855
*
 SYMMETRY PM7
Ethylene
 I=10.51 IR=LLNBS82 HR=C&P1970 H=12.45,0.10
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.32958102 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.07987472 +1  123.6578309 +1    0.0000000 +0     2     1     0
  H     1.07987472 +0  123.6578309 +0    0.0000000 +0     1     2     3
  H     1.07987472 +0  123.6578309 +0  180.0000000 +0     1     2     3
  H     1.07987472 +0  123.6578309 +0    0.0000000 +0     2     1     5
 
   3  1    4    5    6
   3  2    4    5    6