PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
trimethyl pyrazine
638 Trimethyl pyrazine
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ΔHf: 17.8 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
Trimethyl pyrazine
H=17.8 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.42157403 +1 0.0000000 +0 0.0000000 +0 1 0 0
N 1.34556742 +1 120.4456851 +1 0.0000000 +0 2 1 0
C 1.34311165 +1 118.6397765 +1 -0.0448367 +1 3 2 1
C 1.41151690 +1 121.1792294 +1 0.0134513 +1 4 3 2
N 1.34899774 +1 120.3503301 +1 0.0410972 +1 5 4 3
C 1.48870602 +1 122.1144535 +1 -179.9831515 +1 1 2 3
C 1.48872316 +1 122.0649013 +1 -179.9894773 +1 2 1 3
C 1.48795428 +1 121.7841851 +1 -179.9328020 +1 5 4 6
H 1.09293559 +1 116.5892398 +1 179.9923455 +1 4 3 5
H 1.10017844 +1 111.4502460 +1 59.3752970 +1 7 1 2
H 1.10433279 +1 111.6960474 +1 119.7948387 +1 7 1 11
H 1.10030206 +1 111.3792762 +1 119.6936436 +1 7 1 12
H 1.09988963 +1 111.4905937 +1 -59.6153591 +1 8 2 1
H 1.10439583 +1 111.6117962 +1 -119.7222904 +1 8 2 14
H 1.09999526 +1 111.4244296 +1 -119.6385903 +1 8 2 15
H 1.10007227 +1 111.5203005 +1 -58.2896569 +1 9 5 4
H 1.10041253 +1 111.3795229 +1 120.5932179 +1 9 5 17
H 1.10428298 +1 111.7376465 +1 119.5971029 +1 9 5 18