PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
triethyl 1,1,1-ethanetricarboxylate
1448 Triethyl 1,1,1-ethanetricarboxylate
(Previous)
(Back)
(Next)
ΔHf: -286.2 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.
PM7
Triethyl 1,1,1-ethanetricarboxylate
H=-286.19 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.52595966 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.52073807 +1 110.2940795 +1 0.0000000 +0 2 1 0
O 1.35053956 +1 108.8244613 +1 55.3603073 +1 3 2 1
C 1.43946277 +1 115.9016116 +1 177.2362676 +1 4 3 2
O 1.19987539 +1 127.3306007 +1 -124.3174543 +1 3 2 1
C 1.52693556 +1 108.8318984 +1 120.4365799 +1 2 1 3
O 1.19905174 +1 126.1895049 +1 27.4578263 +1 7 2 1
O 1.34762518 +1 108.7764196 +1 -152.1282121 +1 7 2 1
C 1.52247837 +1 110.1581813 +1 -120.5506100 +1 2 1 3
O 1.20096142 +1 126.4879623 +1 -124.4446859 +1 10 2 1
O 1.34643975 +1 109.2348430 +1 54.1877644 +1 10 2 1
C 1.43216421 +1 117.3954517 +1 179.1553411 +1 9 7 2
C 1.51823639 +1 109.6508146 +1 -77.7431578 +1 13 9 7
C 1.44158150 +1 115.7367017 +1 176.6264323 +1 12 10 2
C 1.51840602 +1 103.5979732 +1 -177.1364155 +1 15 12 10
C 1.51889314 +1 103.6755533 +1 -179.5552840 +1 5 4 3
H 1.09951565 +1 111.7317472 +1 62.7421239 +1 1 2 3
H 1.10184371 +1 111.2930713 +1 -176.7964305 +1 1 2 3
H 1.10086719 +1 111.5124037 +1 -57.6863326 +1 1 2 3
H 1.10456570 +1 108.3502617 +1 -59.1453444 +1 5 4 3
H 1.10406954 +1 108.4846952 +1 59.7819585 +1 5 4 3
H 1.10519390 +1 109.5202674 +1 46.5169020 +1 13 9 7
H 1.10712282 +1 101.0021372 +1 162.7233008 +1 13 9 7
H 1.09716912 +1 111.4313894 +1 -50.8344567 +1 14 13 9
H 1.09985190 +1 111.1861284 +1 68.6432411 +1 14 13 9
H 1.09564504 +1 111.4464651 +1 -171.4024459 +1 14 13 9
H 1.10500451 +1 108.4479581 +1 -56.8435434 +1 15 12 10
H 1.10372189 +1 108.3031643 +1 62.2118611 +1 15 12 10
H 1.09749461 +1 111.5832395 +1 -60.8607482 +1 16 15 12
H 1.09979478 +1 111.1043680 +1 58.3303465 +1 16 15 12
H 1.09582099 +1 111.1612433 +1 178.4469472 +1 16 15 12
H 1.09816258 +1 111.4345729 +1 -60.8113797 +1 17 5 4
H 1.09848598 +1 111.3007166 +1 58.3647275 +1 17 5 4
H 1.09599690 +1 111.1362380 +1 178.7036737 +1 17 5 4