File: Co5.mop

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mopac 23.1.2-1
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file content (9 lines) | stat: -rw-r--r-- 571 bytes parent folder | download | duplicates (2)
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      external=i:/pm7.txt pl pulay uhf
      Co5
      H=80 hr=guess hwt=3 noscale
Co        0.000000  0        0.000000  0        0.000000  0      0     0     0      -1.431000
Co        2.404794  0        0.000000  0        0.000000  0      1     0     0      -0.554000
Co        2.422628  0       60.868380  0        0.000000  0      2     1     0      -2.121000
Co        2.422668  0       60.869294  0       72.051726  0      2     1     3      -2.121000
Co        1.402126  0       43.355098  0       41.302501  0      3     2     1       6.228000