PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
methyl ethyl ether
757 Methyl ethyl ether
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ΔHf: -51.7 kcal/mol, REF: Assessment of Gaussian-3 and Density Functional Theories for a Larger Test Set" L. A. Curtiss, K. Raghavachari, P. C. Redfern, and J. A. Pople, Journal of Chemical Physics, 112, 7374 (2000).
PM7
Methyl ethyl ether
H=-51.7 HR=G3-99
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 1.41386185 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.42495300 +1 112.8859196 +1 0.0000000 +0 2 1 0
C 1.52463678 +1 104.2237190 +1 -179.9350740 +1 3 2 1
H 1.09432101 +1 111.1234927 +1 -61.7597432 +1 1 2 3
H 1.09431771 +1 111.0748284 +1 124.0533894 +1 1 2 5
H 1.09796653 +1 102.9372312 +1 117.9792845 +1 1 2 6
H 1.10376683 +1 109.3321056 +1 120.0350882 +1 3 2 4
H 1.10386837 +1 109.3292960 +1 119.9575734 +1 3 2 8
H 1.09781639 +1 111.0206184 +1 -59.6717554 +1 4 3 2
H 1.09791823 +1 110.9760824 +1 118.5423626 +1 4 3 10
H 1.09410569 +1 111.4206293 +1 120.7398407 +1 4 3 11