Accuracy
butaner
135 n-Butane (Geo)
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REF: R. A. Bonham, L. S. Bartell, J. Am. Chem. Soc., 81, 3491 (1959).
PM7
n-Butane
<C1-C2> <C2-C3> <C-C-C> GR=BB1959
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.53300000 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.53300000 +1 112.8000000 +1 0.0000000 +0 2 1 0
C 1.52853147 +1 110.9396829 +1 179.9890567 +1 3 2 1
H 1.09560530 +1 111.2200572 +1 -179.9037231 +1 4 3 2
H 1.09556431 +1 111.4378218 +1 60.1650755 +1 4 3 2
H 1.09558509 +1 111.4481562 +1 -59.9632525 +1 4 3 2
XX 1.00000000 +0 124.6196350 +0 0.0000000 +0 3 2 1
H 1.10610985 +1 52.8710113 +1 89.8113110 +1 3 8 2
H 1.10606204 +1 52.9024602 +1 -89.8556652 +1 3 8 2
XX 1.00000000 +0 124.6196350 +0 0.0000000 +0 2 3 4
H 1.10632494 +1 52.8451730 +1 89.7225992 +1 2 11 3
H 1.10628250 +1 52.8762885 +1 -89.7662598 +1 2 11 3
H 1.09575162 +1 111.4690649 +1 -59.9809055 +1 1 2 3
H 1.09573806 +1 111.4595373 +1 60.1699874 +1 1 2 3
H 1.09576690 +1 111.2112313 +1 -179.9086792 +1 1 2 3