PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
isobutyl
134 Isobutyl
(Previous)
(Back)
(Next)
ΔHf: 4.5 kcal/mol, REF: J. L. Franklin, J. G. Dillard, H. M. Rosenstock, J. T. Herron, K. Draxl, F. H. Field, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand., No. 26 (1969).
OPEN(1,1) SYMMETRY PM7
Isobutyl
H=4.5 HR=FDRH1969
XX 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 0.49999580 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.47467242 +1 91.1205444 +1 0.0000000 +0 2 1 0
C 1.47467242 +0 91.1205444 +0 120.0000000 +0 2 1 3
C 1.47467242 +0 91.1205444 +0 -120.0000000 +0 2 1 3
XX 1.00000000 +0 129.9190353 +1 0.0000000 +0 3 2 1
XX 1.00000000 +0 129.9190353 +0 0.0000000 +0 4 2 1
XX 1.00000000 +0 129.9190353 +0 0.0000000 +0 5 2 1
H 1.10147825 +1 110.4295512 +1 180.0000000 +0 3 2 1
H 1.09855521 +1 53.4914214 +1 90.0000000 +0 3 6 2
H 1.09855521 +0 53.4914214 +0 -90.0000000 +0 3 6 2
H 1.10147825 +0 110.4295512 +0 180.0000000 +0 4 2 1
H 1.09855521 +0 53.4914214 +0 90.0000000 +0 4 7 2
H 1.09855521 +0 53.4914214 +0 -90.0000000 +0 4 7 2
H 1.10147825 +0 110.4295512 +0 180.0000000 +0 5 2 1
H 1.09855521 +0 53.4914214 +0 90.0000000 +0 5 8 2
H 1.09855521 +0 53.4914214 +0 -90.0000000 +0 5 8 2