PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
3-methyl pyridine
506 3-Methyl pyridine
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ΔHf: 24.8 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
3-Methyl pyridine
H=24.76 HR=NIST
N 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.34294704 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.40687455 +1 122.7695595 +1 0.0000000 +0 2 1 0
C 1.39532723 +1 118.0818122 +1 0.0242377 +1 3 2 1
C 1.39361896 +1 119.3923196 +1 -0.0101391 +1 4 3 2
C 1.39984432 +1 118.6621287 +1 -0.0039670 +1 5 4 3
C 1.48617232 +1 120.0786920 +1 -179.9889676 +1 3 2 4
H 1.08875288 +1 120.4190976 +1 -179.9997270 +1 4 3 5
H 1.08593440 +1 120.8024292 +1 -179.9961945 +1 5 4 6
H 1.09531055 +1 121.8144933 +1 -179.9870743 +1 6 5 4
H 1.10131345 +1 111.4436288 +1 -59.8543120 +1 7 3 2
H 1.10128307 +1 111.4386391 +1 119.5719981 +1 7 3 11
H 1.09893476 +1 112.8365771 +1 120.2201855 +1 7 3 12
H 1.09547234 +1 115.8049125 +1 -179.9910905 +1 2 1 3