PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
2-cyclopentenecarbonitrile
504 2-Cyclopentenecarbonitrile
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ΔHf: 33.9 kcal/mol, REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
PM7
2-Cyclopentenecarbonitrile
H=33.9 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.54865283 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.50207760 +1 105.0045765 +1 0.0000000 +0 2 1 0
C 1.33756634 +1 112.5967376 +1 1.2784476 +1 3 2 1
C 1.51334238 +1 111.9182407 +1 0.9169834 +1 4 3 2
C 1.44682974 +1 111.1780175 +1 -123.1073942 +1 5 4 3
N 1.15658105 +1 144.8341687 +1 179.9061268 +1 6 4 5
H 1.10003078 +1 111.4766513 +1 -123.4186246 +1 1 2 3
H 1.10208668 +1 110.9971185 +1 -118.4582566 +1 1 2 8
H 1.10503314 +1 111.5090977 +1 -120.7001653 +1 2 1 3
H 1.10457974 +1 111.5332339 +1 -118.5373498 +1 2 1 10
H 1.07663217 +1 120.0326318 +1 -179.8558515 +1 3 2 4
H 1.07459413 +1 128.2095379 +1 179.6605538 +1 4 3 5
H 1.12367408 +1 109.6365986 +1 -121.6394944 +1 5 4 6