File: oxalone.mop

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mopac 23.1.2-1
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file content (15 lines) | stat: -rw-r--r-- 639 bytes parent folder | download | duplicates (3) 
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*
*     0.378
*
 PM7
Oxalone
 H=-3.71 HR=NIST
  N     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.31315869 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.38853023 +1  111.8720849 +1    0.0000000 +0     2     1     0
  C     1.38145122 +1  105.3984345 +1   -0.0045758 +1     3     2     1
  C     1.37166101 +1  108.3127709 +1    0.0090652 +1     4     3     2
  H     1.06287393 +1  114.3166518 +1 -179.9967661 +1     4     3     5
  H     1.07337212 +1  131.7963847 +1 -179.9942457 +1     5     4     3
  H     1.06969578 +1  132.5825789 +1  179.9976362 +1     2     1     3