PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
2-nitrofuran
1343 2-Nitrofuran
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ΔHf: -6.9 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-Nitrofuran
H=-6.9 HR=NIST
O 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.37244238 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.37458196 +1 111.3350638 +1 0.0000000 +0 2 1 0
C 1.43332145 +1 106.5012403 +1 -0.0209172 +1 3 2 1
C 1.39059033 +1 105.2236929 +1 -0.0187346 +1 1 2 3
N 1.42728375 +1 115.4908437 +1 179.9854606 +1 5 1 2
O 1.21798958 +1 118.6793540 +1 0.0257865 +1 6 5 1
O 1.22200299 +1 116.7732606 +1 179.9891476 +1 6 5 7
H 1.06938622 +1 113.1460952 +1 179.9994381 +1 2 1 3
H 1.07166524 +1 127.9897725 +1 -179.9974156 +1 3 2 4
H 1.07596187 +1 126.5667140 +1 -179.9943025 +1 4 3 2