PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
triethylamine
516 Triethylamine
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ΔHf: -22.1 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
PM7
Triethylamine
H=-22.06,0.19 HR=C&P1970
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.53589380 +1 0.0000000 +0 0.0000000 +0 1 0 0
N 1.46680732 +1 119.2811418 +1 0.0000000 +0 2 1 0
C 1.46719870 +1 116.3404186 +1 -71.1581587 +1 3 2 1
C 1.53575595 +1 119.1477038 +1 70.4819553 +1 4 3 2
H 1.09518567 +1 110.5007653 +1 -179.7972212 +1 5 4 3
H 1.09437815 +1 111.7483983 +1 60.4701364 +1 5 4 3
H 1.09445248 +1 111.7639030 +1 -60.1263865 +1 5 4 3
H 1.11678381 +1 106.7051734 +1 -53.0159005 +1 4 3 2
H 1.11679612 +1 106.7950900 +1 -166.0120046 +1 4 3 2
C 1.46738068 +1 116.2815550 +1 71.3074207 +1 3 2 1
H 1.11683333 +1 106.6946433 +1 165.3310725 +1 2 3 4
H 1.11711141 +1 106.7265053 +1 52.3505475 +1 2 3 4
H 1.09516295 +1 110.4818816 +1 -179.9251442 +1 1 2 3
H 1.09438788 +1 111.7810627 +1 60.3826575 +1 1 2 3
H 1.09441377 +1 111.7746884 +1 -60.2349673 +1 1 2 3
C 1.53572370 +1 119.0993268 +1 -70.6334170 +1 11 3 2
H 1.11676066 +1 106.7876224 +1 165.8671618 +1 11 3 2
H 1.11682659 +1 106.7235551 +1 52.8601960 +1 11 3 2
H 1.09519845 +1 110.5067940 +1 -179.8704163 +1 17 11 3
H 1.09443383 +1 111.7592029 +1 60.4395459 +1 17 11 3
H 1.09438914 +1 111.7345495 +1 -60.1453560 +1 17 11 3