PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
di-t-butyl zinc
3718 Di-t-butyl zinc
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ΔHf: -28.9 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
Di-t-butyl zinc
H=-28.85 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Zn 2.00969781 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 2.00975979 +1 179.0000000 +0 0.0000000 +0 2 1 0
C 1.51929880 +1 113.7113118 +1 -92.8114646 +1 3 2 1
C 1.51916115 +1 113.8080213 +1 133.1977402 +1 1 2 4
C 1.54422851 +1 110.9620184 +1 60.8230426 +1 5 1 2
C 1.54575692 +1 109.4584895 +1 -179.7325131 +1 5 1 2
C 1.54425908 +1 110.9094643 +1 -60.3805686 +1 5 1 2
C 1.54422676 +1 110.9299588 +1 61.4079558 +1 4 3 2
C 1.54575394 +1 109.4665192 +1 -179.2150351 +1 4 3 2
C 1.54417289 +1 110.9492430 +1 -59.7809584 +1 4 3 2
H 1.09063975 +1 104.9214903 +1 -20.2811973 +1 1 2 11
H 1.09012295 +1 105.2559743 +1 -134.6144453 +1 1 2 11
H 1.09029762 +1 105.1529092 +1 152.5119729 +1 3 2 11
H 1.09042437 +1 105.1156132 +1 -93.1062270 +1 3 2 11
H 1.09401732 +1 111.1331385 +1 177.8502201 +1 6 5 1
H 1.09426530 +1 110.8861469 +1 58.3509090 +1 6 5 1
H 1.09467185 +1 111.7878929 +1 -62.0893098 +1 6 5 1
H 1.09364717 +1 110.8692864 +1 59.5221568 +1 7 5 1
H 1.09362816 +1 110.8790242 +1 -59.7298971 +1 7 5 1
H 1.09234432 +1 111.7519930 +1 179.8934276 +1 7 5 1
H 1.09397762 +1 111.1434449 +1 -177.7219243 +1 8 5 1
H 1.09484077 +1 111.7710595 +1 62.2242229 +1 8 5 1
H 1.09430022 +1 110.8870521 +1 -58.2039026 +1 8 5 1
H 1.09402253 +1 111.1433084 +1 177.9433731 +1 9 4 3
H 1.09426962 +1 110.8859791 +1 58.4348267 +1 9 4 3
H 1.09463800 +1 111.7807541 +1 -61.9899113 +1 9 4 3
H 1.09237472 +1 111.7421598 +1 -179.7653104 +1 10 4 3
H 1.09367183 +1 110.8769568 +1 59.8628171 +1 10 4 3
H 1.09366970 +1 110.8736763 +1 -59.3957901 +1 10 4 3
H 1.09401124 +1 111.1431794 +1 -177.9214788 +1 11 4 3
H 1.09495049 +1 111.7754950 +1 62.0357102 +1 11 4 3
H 1.09435014 +1 110.8965621 +1 -58.3948144 +1 11 4 3