File: cu2r.mop

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mopac 22.0.6%2Bdfsg-1
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file content (9 lines) | stat: -rw-r--r-- 209 bytes parent folder | download | duplicates (2)
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*   242.994
*
 PM7
Cu-Cu
 GR=HH1979 <Cu-Cu> GWT=0.2
 Cu     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cu     2.20000000 +1    0.0000000 +0    0.0000000 +0     1     0     0