File: germane.mop

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mopac 22.0.6%2Bdfsg-1
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file content (12 lines) | stat: -rw-r--r-- 460 bytes parent folder | download | duplicates (2)
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*    25.127
*
 PM7
Germane
 H=21.7 I=11.31 HR=WEPS1982 IR=PCMS1970 S=51.89 CP=10.75
  H     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Ge     1.51395413 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.51397749 +1  109.4712210 +0    0.0000000 +0     2     1     0
  H     1.51393419 +1  109.4712210 +0 -120.0000000 +0     2     1     3
  H     1.51396589 +1  109.4712210 +0  120.0000000 +0     2     1     3