Back to Features of PM6
|
|
DHf: -47.6 kcal/mol, REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
2,3-Dimethyl pentane HR=NIST H=-47.62 C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0.0000 C 1.52694402 +1 0.0000000 +0 0.0000000 +0 1 0 0 0.0000 C 1.54501670 +1 112.3907769 +1 0.0000000 +0 2 1 0 0.0000 C 1.55543776 +1 110.3338657 +1 158.0305881 +1 3 2 1 0.0000 C 1.53258420 +1 112.9468846 +1 69.5169068 +1 4 3 2 0.0000 C 1.53508380 +1 110.6778132 +1 124.3179483 +1 4 3 5 0.0000 C 1.53195102 +1 110.9264151 +1 125.7378656 +1 3 2 4 0.0000 H 1.09591184 +1 111.6483036 +1 -58.6611653 +1 1 2 3 0.0000 H 1.09627342 +1 111.4908615 +1 120.0497980 +1 1 2 8 0.0000 H 1.09560260 +1 111.1384427 +1 119.8758016 +1 1 2 9 0.0000 H 1.10799029 +1 109.1406056 +1 121.9608625 +1 2 1 3 0.0000 H 1.10681290 +1 109.8040085 +1 115.3854096 +1 2 1 11 0.0000 H 1.12002067 +1 107.9469207 +1 117.8547636 +1 3 2 7 0.0000 H 1.12072366 +1 107.2474816 +1 117.0652930 +1 4 3 6 0.0000 H 1.09495479 +1 111.4157125 +1 -54.4789240 +1 5 4 3 0.0000 H 1.09548386 +1 111.6800594 +1 120.1527986 +1 5 4 15 0.0000 H 1.09516919 +1 111.1320626 +1 119.8303195 +1 5 4 16 0.0000 H 1.09581389 +1 111.5677519 +1 -63.8574216 +1 6 4 3 0.0000 H 1.09482715 +1 111.5508940 +1 120.2492000 +1 6 4 18 0.0000 H 1.09517012 +1 111.1386381 +1 120.0332780 +1 6 4 19 0.0000 H 1.09549348 +1 111.2693809 +1 -177.3699576 +1 7 3 2 0.0000 H 1.09529104 +1 111.7940420 +1 120.1211915 +1 7 3 21 0.0000 H 1.09529419 +1 111.0120601 +1 119.9030765 +1 7 3 22 0.0000