File: silane.mop

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mopac 23.1.2-1
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file content (12 lines) | stat: -rw-r--r-- 420 bytes parent folder | download | duplicates (2)
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*    12.847
*
 PM7
Silane
 H=8.2 HR=JANAF86
  H     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Si     1.45242372 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.45243974 +1  109.4712210 +0    0.0000000 +0     2     1     0
  H     1.45241003 +1  109.4712210 +0 -120.0000000 +0     2     1     3
  H     1.45243178 +1  109.4712210 +0  120.0000000 +0     2     1     3