File: hos.mop

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mopac 22.0.6%2Bdfsg-1
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  • size: 102,028 kB
  • sloc: f90: 161,334; python: 192; sh: 173; makefile: 5
file content (10 lines) | stat: -rw-r--r-- 271 bytes parent folder | download | duplicates (3) 
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*
*    -6.720
*
 PM7
HOS
 H=5.0 HR=WHSMC03
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     1.64046173 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     0.98657107 +1  111.7816606 +1    0.0000000 +0     1     2     0