Accuracy
zirconium tetraisopropoxide
4654 Zirconium tetraisopropoxide
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Geometry predicted using PM7
ΔHf: -409.3 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
Zirconium tetraisopropoxide
H=-409.32 HR=NIST
Zr 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 1.93769115 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.35420288 +1 172.1986983 +1 0.0000000 +0 2 1 0
C 1.54555929 +1 108.7533564 +1 -82.9405361 +1 3 2 1
C 1.54577432 +1 108.7960531 +1 120.7818750 +1 3 2 4
O 1.93854722 +1 109.7268112 +1 -157.0011150 +1 1 2 4
C 1.35391153 +1 172.8350232 +1 90.5129384 +1 6 1 2
C 1.54549131 +1 108.8143927 +1 154.6047652 +1 7 6 3
C 1.54598194 +1 108.8102394 +1 33.8097848 +1 7 6 3
O 1.93740578 +1 108.8098969 +1 116.8968464 +1 1 2 7
C 1.35424630 +1 171.4921571 +1 99.5248705 +1 10 1 2
C 1.54529399 +1 108.8032177 +1 164.1007739 +1 11 10 3
C 1.54578658 +1 108.7269259 +1 43.3173238 +1 11 10 3
O 1.93778262 +1 109.3660759 +1 -123.9221250 +1 1 2 7
C 1.35400424 +1 172.3127344 +1 15.6225062 +1 14 1 2
C 1.54541331 +1 108.8516207 +1 -48.1349450 +1 15 14 7
C 1.54580719 +1 108.7554109 +1 -168.9491619 +1 15 14 7
H 1.11710157 +1 107.2345037 +1 84.3611045 +1 3 2 7
H 1.08890130 +1 111.8219568 +1 -178.8754126 +1 4 3 2
H 1.09515623 +1 110.1326886 +1 59.7999180 +1 4 3 2
H 1.09492937 +1 109.7783506 +1 -57.6440153 +1 4 3 2
H 1.08886632 +1 111.8188622 +1 178.2918418 +1 5 3 2
H 1.09533755 +1 109.7506519 +1 57.0913976 +1 5 3 2
H 1.09513724 +1 110.1751276 +1 -60.3673872 +1 5 3 2
H 1.11731004 +1 107.2362606 +1 -92.5521989 +1 7 6 23
H 1.08881046 +1 111.8357983 +1 179.1480617 +1 8 7 6
H 1.09498992 +1 109.7810940 +1 57.9137747 +1 8 7 6
H 1.09529953 +1 110.1211497 +1 -59.5313493 +1 8 7 6
H 1.08888303 +1 111.8104632 +1 -178.6564759 +1 9 7 6
H 1.09515117 +1 110.1501859 +1 60.0254803 +1 9 7 6
H 1.09518450 +1 109.7554463 +1 -57.4456099 +1 9 7 6
H 1.11732278 +1 107.2162900 +1 -46.1833288 +1 11 10 24
H 1.08888717 +1 111.8258339 +1 179.1381218 +1 12 11 10
H 1.09496115 +1 109.8214446 +1 57.8860960 +1 12 11 10
H 1.09548809 +1 110.1315174 +1 -59.5496402 +1 12 11 10
H 1.08890539 +1 111.8352942 +1 -178.5751831 +1 13 11 10
H 1.09515706 +1 110.1463159 +1 60.0821399 +1 13 11 10
H 1.09526856 +1 109.7480243 +1 -57.3282444 +1 13 11 10
H 1.11736252 +1 107.2172341 +1 41.9766879 +1 15 14 27
H 1.08878409 +1 111.8201831 +1 178.6618673 +1 16 15 14
H 1.09536666 +1 109.7636771 +1 57.4512137 +1 16 15 14
H 1.09527725 +1 110.1698861 +1 -60.0103993 +1 16 15 14
H 1.08888132 +1 111.8203238 +1 -178.8865515 +1 17 15 14
H 1.09529989 +1 110.1097811 +1 59.8073888 +1 17 15 14
H 1.09494140 +1 109.7780522 +1 -57.6426779 +1 17 15 14