Back to Features of PM6
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DHf: -41.7 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-Methyl pentane HR=NIST H=-41.66 C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0.0000 C 1.52736399 +1 0.0000000 +0 0.0000000 +0 1 0 0 0.0000 C 1.53473223 +1 111.7458819 +1 0.0000000 +0 2 1 0 0.0000 C 1.54363412 +1 112.3084904 +1 177.1951320 +1 3 2 1 0.0000 C 1.53453437 +1 111.2919543 +1 72.9974598 +1 4 3 2 0.0000 C 1.53573913 +1 110.0800676 +1 122.5066328 +1 4 3 5 0.0000 H 1.09561279 +1 111.6062667 +1 -60.4411728 +1 1 2 3 0.0000 H 1.09563209 +1 111.5675588 +1 120.1232517 +1 1 2 7 0.0000 H 1.09532704 +1 111.1812439 +1 119.9256348 +1 1 2 8 0.0000 H 1.10750913 +1 109.6699926 +1 122.0402830 +1 2 1 3 0.0000 H 1.10751380 +1 109.7345774 +1 115.9153428 +1 2 1 10 0.0000 H 1.10687206 +1 109.3462730 +1 -121.7446449 +1 3 2 4 0.0000 H 1.10546761 +1 110.0039309 +1 -115.4408430 +1 3 2 12 0.0000 H 1.11825182 +1 108.6686256 +1 118.2392208 +1 4 3 6 0.0000 H 1.09493066 +1 111.2956853 +1 -60.2973985 +1 5 4 3 0.0000 H 1.09477375 +1 111.6627948 +1 120.0718837 +1 5 4 15 0.0000 H 1.09466525 +1 111.3084100 +1 120.0381314 +1 5 4 16 0.0000 H 1.09454677 +1 111.4958088 +1 59.6513951 +1 6 4 3 0.0000 H 1.09493168 +1 111.5968413 +1 -120.2830716 +1 6 4 18 0.0000 H 1.09482067 +1 111.2219249 +1 -119.8103257 +1 6 4 19 0.0000