PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
t-butyltrimethyllead
8082 t-Butyltrimethyllead
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ΔHf: 6.9 kcal/mol, REF: M. F. Lappert, J. B. Pedley, J. Simpson, T. R. Spalding, J. Organomet. Chem., 29, 195 (1971).
I.P.: 8.0 eV, REF: M. F. Lappert, J. B. Pedley, J. Simpson, T. R. Spalding, J. Organomet. Chem., 29, 195 (1971).
PULAY SHIFT=30 PM7
t-Butyltrimethyllead
H=6.92 HR=LPSS1971 I=7.99 IR=LPSS1971
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Pb 2.11828149 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 2.11910085 +1 110.2966547 +1 0.0000000 +0 2 1 0
H 1.08493250 +1 108.4410919 +1 -178.3013144 +1 3 2 1
C 2.11914995 +1 110.0273565 +1 -121.7411406 +1 2 1 3
C 2.18467316 +1 109.0066412 +1 119.2595259 +1 2 1 3
H 1.08493985 +1 108.4327570 +1 61.6873044 +1 3 2 1
H 1.08512441 +1 108.4159429 +1 -58.3328551 +1 3 2 1
H 1.08517764 +1 108.4092423 +1 117.8692881 +1 1 2 3
H 1.08515844 +1 108.4569841 +1 -2.1315360 +1 1 2 3
H 1.08504642 +1 108.5097277 +1 -122.1468004 +1 1 2 3
H 1.08493410 +1 108.4232737 +1 178.1423469 +1 5 2 1
H 1.08500449 +1 108.4143989 +1 58.1491143 +1 5 2 1
H 1.08497239 +1 108.3818696 +1 -61.8701177 +1 5 2 1
C 1.52619163 +1 108.3931726 +1 60.2100178 +1 6 2 1
C 1.52624076 +1 108.3521764 +1 -179.8219755 +1 6 2 1
C 1.52614118 +1 108.3904521 +1 -59.8139863 +1 6 2 1
H 1.09718056 +1 110.6134625 +1 179.9253795 +1 15 6 2
H 1.09573300 +1 112.1144346 +1 60.5508422 +1 15 6 2
H 1.09561215 +1 112.1683943 +1 -60.6464650 +1 15 6 2
H 1.09719844 +1 110.5982930 +1 -179.8931695 +1 16 6 2
H 1.09569883 +1 112.1331380 +1 60.7205230 +1 16 6 2
H 1.09568593 +1 112.1244974 +1 -60.5201478 +1 16 6 2
H 1.09718379 +1 110.6061285 +1 179.9049925 +1 17 6 2
H 1.09567812 +1 112.1633135 +1 60.4839996 +1 17 6 2
H 1.09576927 +1 112.1186566 +1 -60.7117146 +1 17 6 2