PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
tetraborane(10)
37 Tetraborane(10)
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ΔHf: 15.8 kcal/mol, REF: D. D. Wagman, W. H. Evans, V. B. Parker, R. H. Schumm, I. Halow, S. M. Bailey, K. L. Churney, R. L. Nuttall, J. Phys. Chem. Ref. Data Suppl. 11, 2 (1982).
Dipole: 0.6 Debye, REF: J. R. Weaver, C. W. Hertsch, R. W. Parry, J. Chem. Phys, 30, 1075 (1959).
I.P.: 11.5 eV, REF: D. R. Lloyd, N. Lynaugh, P. J. Roberts, M. F. Guest, J. Chem. Soc. Faraday Trans. 1, 1382 (1975).
GEO-OK PM7
Tetraborane(10)
H=15.8 HR=WEPS1982 D=0.56 DR=WHP1959 I=11.50 IR=LLRG1975
B 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
B 1.85431553 +1 0.0000000 +0 0.0000000 +0 1 0 0
B 1.85409639 +1 103.8390536 +1 0.0000000 +0 1 2 0
B 1.71731269 +1 62.5675982 +1 -48.3986822 +1 1 2 3
H 1.20999380 +1 128.3375705 +1 163.0129672 +1 2 1 3
H 1.33449380 +1 51.1437691 +1 179.9952372 +1 1 2 4
H 1.21868511 +1 116.2777437 +1 -117.2965436 +1 4 1 2
H 1.20917961 +1 128.2928700 +1 65.9463560 +1 3 1 2
H 1.20914612 +1 128.8455511 +1 131.0919576 +1 2 1 5
H 1.21883672 +1 124.4078901 +1 75.8159775 +1 1 2 6
H 1.33270085 +1 131.5471711 +1 -157.3725691 +1 1 2 10
H 1.33310407 +1 113.4663126 +1 116.7152166 +1 4 1 7
H 1.20983884 +1 128.9340737 +1 130.6765713 +1 3 1 8
H 1.33286153 +1 113.5687283 +1 126.1772440 +1 4 1 12