PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
hexamethyldisilazane
1933 Hexamethyldisilazane
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ΔHf: -113.9 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 0.4 Debye, REF: R. D. Nelson, D. R. Lide, A. A. Maryott, Nat. Stand. Ref. Data Set., Natl. Bur. Stand. No. 10 (1967).
I.P.: 8.7 eV, REF: J. B. Pedley, G. Rylance, "Sussex-N.P.L. Computer Analysed Thermochemical Data: Organic and Organometallic Compounds," Sussex University, 1977.
PM7
Hexamethyldisilazane
H=-113.9 I=8.66 D=0.37 DR=NLM1967 IR=P&R1977 HR=C&P1970
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Si 1.87373531 +1 0.0000000 +0 0.0000000 +0 1 0 0
N 1.79111657 +1 111.1298704 +1 0.0000000 +0 2 1 0
Si 1.79121350 +1 129.1562934 +1 57.0443286 +1 3 2 1
C 1.87431115 +1 110.7870967 +1 -65.4679440 +1 4 3 2
C 1.87527492 +1 106.0216525 +1 176.0401224 +1 4 3 2
C 1.87999629 +1 114.3364173 +1 56.8608871 +1 4 3 2
C 1.87566543 +1 105.9338648 +1 175.7568323 +1 2 3 4
C 1.87991743 +1 114.0048669 +1 -65.4840804 +1 2 3 4
H 1.10323758 +1 111.6075223 +1 168.3598429 +1 1 2 3
H 1.10367385 +1 111.7227826 +1 -71.2262983 +1 1 2 3
H 1.10575200 +1 110.2824014 +1 48.5077918 +1 1 2 3
H 1.10539641 +1 110.3160378 +1 -52.3736534 +1 5 4 3
H 1.10295541 +1 111.7102254 +1 -172.4723597 +1 5 4 3
H 1.10373566 +1 111.5218109 +1 67.0278605 +1 5 4 3
H 1.10537042 +1 110.6572312 +1 -179.0984636 +1 6 4 7
H 1.10359118 +1 111.5929048 +1 60.8845847 +1 6 4 7
H 1.10392396 +1 111.6087441 +1 -59.3987618 +1 6 4 7
H 1.10284546 +1 111.7855970 +1 52.2660419 +1 7 4 6
H 1.10365278 +1 111.2217625 +1 172.3257459 +1 7 4 6
H 1.10364566 +1 111.0133023 +1 -67.9249019 +1 7 4 6
H 1.10378362 +1 111.5961911 +1 60.1522548 +1 8 2 9
H 1.10546420 +1 110.5632457 +1 179.8735458 +1 8 2 9
H 1.10342471 +1 111.6416711 +1 -60.1982476 +1 8 2 9
H 1.10282676 +1 111.7835751 +1 -56.0441394 +1 9 2 8
H 1.10383198 +1 111.0661056 +1 -176.0750064 +1 9 2 8
H 1.10327209 +1 111.1473706 +1 64.2495975 +1 9 2 8
H 1.03714496 +1 112.4435628 +1 85.1779935 +1 3 2 9