PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
(ch3ch2)2o-bf3
1602 (CH3CH2)2O-BF3
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ΔHf: -343.8 kcal/mol, REF: D. D. Wagman, W. H. Evans, V. B. Parker, R. H. Schumm, I. Halow, S. M. Bailey, K. L. Churney, R. L. Nuttall, J. Phys. Chem. Ref. Data Suppl. 11, 2 (1982).
PM7
(CH3CH2)2O-BF3
H=-343.8 HR=WEPS1982
O 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.45431099 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.44894743 +1 112.7291091 +1 0.0000000 +0 1 2 0
C 1.51932483 +1 107.2423809 +1 -78.4502604 +1 2 1 3
C 1.51255921 +1 114.5084446 +1 -74.2010422 +1 3 1 2
H 1.10347629 +1 110.2674806 +1 45.4192724 +1 2 1 3
H 1.10985339 +1 105.9012210 +1 163.2734186 +1 2 1 3
H 1.11073105 +1 102.5989657 +1 162.8110122 +1 3 1 2
H 1.10741838 +1 105.9813720 +1 49.7035029 +1 3 1 2
B 1.68816813 +1 112.8757079 +1 -133.0394790 +1 1 2 3
F 1.34070553 +1 99.8919226 +1 -74.6571701 +1 10 1 2
F 1.34201723 +1 105.3645252 +1 45.3286029 +1 10 1 2
F 1.33854756 +1 104.9388763 +1 167.1185628 +1 10 1 2
H 1.09496890 +1 113.1608572 +1 75.5347733 +1 4 2 1
H 1.09861964 +1 110.7399714 +1 -164.0010151 +1 4 2 1
H 1.10133512 +1 110.9636090 +1 -45.3976695 +1 4 2 1
H 1.09752761 +1 112.7297573 +1 50.0835303 +1 5 3 1
H 1.09862920 +1 110.8017953 +1 170.3085785 +1 5 3 1
H 1.10157563 +1 112.9417133 +1 -70.6769760 +1 5 3 1