Accuracy
trimethylene oxide
753 Trimethylene oxide
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Geometry predicted using PM7
ΔHf: -19.2 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
PM7
Trimethylene oxide
HR=C&P1970 H=-19.25
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 2.09215165 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.54815508 +1 47.4911132 +1 0.0000000 +0 1 2 0
O 1.45580022 +1 44.0315479 +1 -179.9772473 +1 1 2 3
H 1.09216229 +1 123.5357836 +1 -96.6776337 +1 1 2 3
H 1.09216142 +1 123.4980532 +1 96.6893078 +1 1 2 3
H 1.09235651 +1 123.5828382 +1 96.5449436 +1 2 1 3
H 1.09235594 +1 123.5449792 +1 -96.5566351 +1 2 1 3
H 1.09099468 +1 115.4977932 +1 116.0363609 +1 3 1 2
H 1.09099584 +1 115.5084625 +1 -116.0499488 +1 3 1 2