PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
3,4-dihydro-2h-pyran
774 3,4-Dihydro-2H-pyran
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ΔHf: -27.0 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
3,4-Dihydro-2H-pyran
H=-27.0 HR=NIST
O 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.35623284 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.33838208 +1 125.3200187 +1 0.0000000 +0 2 1 0
C 1.49210715 +1 121.1892617 +1 0.7307851 +1 3 2 1
C 1.53631863 +1 110.2805265 +1 18.7463250 +1 4 3 2
C 1.42702845 +1 116.4371467 +1 10.0499581 +1 1 2 3
H 1.08525654 +1 106.8242980 +1 178.7228898 +1 2 1 3
H 1.08176593 +1 122.2598590 +1 179.4845171 +1 3 2 4
H 1.10983278 +1 109.9954492 +1 -121.9360651 +1 4 3 5
H 1.10841387 +1 110.5653544 +1 -116.2492132 +1 4 3 9
H 1.10364273 +1 110.9975539 +1 -167.8069654 +1 5 4 3
H 1.10730037 +1 109.7898473 +1 -117.4285211 +1 5 4 11
H 1.10480131 +1 107.0905356 +1 83.6460466 +1 6 1 2
H 1.10527577 +1 102.0704830 +1 115.3038689 +1 6 1 13