PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
tetrahydrofuran
768 Tetrahydrofuran
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ΔHf: -44.0 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
PM7
Tetrahydrofuran
H=-44.02 HR=C&P1970
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.53970706 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.53480450 +1 104.8450783 +1 0.0000000 +0 2 1 0
C 1.53477151 +1 104.8117461 +1 -0.2297286 +1 1 2 3
O 1.42172508 +1 108.2589565 +1 12.0954095 +1 3 2 1
H 1.10107643 +1 111.5870167 +1 120.7518630 +1 1 2 3
H 1.10201019 +1 111.0983060 +1 -120.7315085 +1 1 2 3
H 1.10103787 +1 111.5980198 +1 -121.2788847 +1 2 1 4
H 1.10215614 +1 111.0665622 +1 120.2252090 +1 2 1 4
H 1.10233973 +1 112.7783250 +1 -106.4634703 +1 3 2 1
H 1.10189578 +1 113.8208482 +1 127.4923051 +1 3 2 1
H 1.10226851 +1 112.7635707 +1 106.8816947 +1 4 1 2
H 1.10187652 +1 113.7801643 +1 -127.1171077 +1 4 1 2