File: methane.mop

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file content (14 lines) | stat: -rw-r--r-- 484 bytes parent folder | download | duplicates (3) 
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*
*   -14.404
*
 SYMMETRY PM7
Methane
 I=13.6 H=-17.89,0.07 HR=C&P1970 IR=TBBB1970
  H     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.08518904 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.08518904 +0  109.4712210 +0    0.0000000 +0     2     1     0
  H     1.08518904 +0  109.4712210 +0 -120.0000000 +0     2     1     3
  H     1.08518904 +0  109.4712210 +0  120.0000000 +0     2     1     3
 
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