File: uracil.mop

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mopac 22.0.6%2Bdfsg-1
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file content (19 lines) | stat: -rw-r--r-- 931 bytes parent folder | download | duplicates (3)
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*
*   -74.179
*
 PM7
Uracil
 H=-72.43 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.45283936 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.35483887 +1  121.3104803 +1    0.0000000 +0     2     1     0
  N     1.38358618 +1  121.0638422 +1    0.0208127 +1     3     2     1
  C     1.41744934 +1  121.7825999 +1    0.0294097 +1     4     3     2
  N     1.42695717 +1  115.2890908 +1   -0.0005590 +1     1     2     3
  O     1.20678571 +1  127.8001332 +1  179.9866610 +1     1     2     3
  O     1.21094766 +1  119.8712935 +1 -179.9860341 +1     5     4     3
  H     1.08775706 +1  115.8811484 +1 -179.9961804 +1     2     1     3
  H     1.09836916 +1  123.0716484 +1 -179.9964435 +1     3     2     1
  H     1.01608017 +1  121.2496066 +1  179.9961713 +1     4     3     2
  H     1.02349997 +1  118.4515248 +1 -179.9900883 +1     6     1     2