File: opcl2.mop

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mopac 22.0.6%2Bdfsg-1
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file content (11 lines) | stat: -rw-r--r-- 352 bytes parent folder | download | duplicates (3) 
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*
*   -75.584
*
 UHF PM7
OPCl2
 H=-70.9 HR=WHSMC03
  P     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.48587301 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     1.89934349 +1  115.6312157 +1    0.0000000 +0     1     2     0
 Cl     1.89931361 +1  115.6173819 +1  127.8129631 +1     1     2     3