File: nitromethane.mop

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file content (14 lines) | stat: -rw-r--r-- 609 bytes parent folder | download | duplicates (3) 
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*
*   -17.189
*
 PM7
Nitromethane
 HR=C&P1970 H=-17.9 I=11.3 IR=LLNBS82 S=67.61 CP=13.26
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     1.47807518 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.21680308 +1  117.6808537 +1    0.0000000 +0     2     1     0
  O     1.21644277 +1  117.7539565 +1  179.8041195 +1     2     1     3
  H     1.10421789 +1  110.9366661 +1  167.5684877 +1     1     2     3
  H     1.10433057 +1  110.5088130 +1   46.3969218 +1     1     2     3
  H     1.10499599 +1  109.9434937 +1  -72.4143427 +1     1     2     3