PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
1,3,5-trimethyl cyclohexane
272 1,3,5-Trimethyl cyclohexane
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ΔHf: -51.5 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
1,3,5-Trimethyl cyclohexane
H=-51.48 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.53836160 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.53857483 +1 109.9693668 +1 0.0000000 +0 2 1 0
C 1.53847627 +1 110.4435756 +1 -58.1237928 +1 3 2 1
C 1.53851854 +1 110.0295091 +1 58.0337395 +1 4 3 2
C 1.53830792 +1 110.4278483 +1 -58.0855419 +1 5 4 3
C 1.53258006 +1 110.1304730 +1 121.5748705 +1 2 1 3
C 1.53264394 +1 110.1205318 +1 121.5987245 +1 4 3 5
C 1.53264564 +1 110.1536959 +1 179.8197659 +1 6 5 4
H 1.10400813 +1 110.1037877 +1 -179.9934549 +1 1 2 3
H 1.10464520 +1 110.0688813 +1 116.6161800 +1 1 2 10
H 1.11582395 +1 108.8635432 +1 119.2801826 +1 2 1 7
H 1.10393938 +1 110.1068689 +1 -121.8065919 +1 3 2 4
H 1.10476838 +1 109.9856824 +1 -116.5732888 +1 3 2 13
H 1.11591009 +1 108.8476555 +1 119.2491317 +1 4 3 8
H 1.10400635 +1 110.0912724 +1 -121.7608057 +1 5 4 6
H 1.10471104 +1 110.0319892 +1 -116.5994582 +1 5 4 16
H 1.11591973 +1 108.9093701 +1 119.2829451 +1 6 5 9
H 1.09513057 +1 111.2537768 +1 178.8885339 +1 7 2 1
H 1.09522994 +1 111.4796947 +1 120.0836004 +1 7 2 19
H 1.09514488 +1 111.2551499 +1 120.0423960 +1 7 2 20
H 1.09523749 +1 111.4838474 +1 -61.1958647 +1 8 4 3
H 1.09514502 +1 111.2409402 +1 -120.0367115 +1 8 4 22
H 1.09511703 +1 111.2607918 +1 -119.8885183 +1 8 4 23
H 1.09513596 +1 111.2496356 +1 178.9634946 +1 9 6 5
H 1.09524260 +1 111.4970028 +1 120.0760103 +1 9 6 25
H 1.09515905 +1 111.2569294 +1 120.0539188 +1 9 6 26