PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
titanium tetrapropoxide
2908 Titanium tetrapropoxide
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ΔHf: -355.7 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
Titanium tetrapropoxide
H=-355.74 HR=NIST
Ti 0.00000000 +0 0.00000000 +0 0.00000000 +0
O 1.78461754 +1 0.00000000 +0 0.00000000 +0
C 3.15356278 +1 -0.01375405 +1 0.00000000 +0
C 3.67490096 +1 1.32809235 +1 0.54916601 +1
C 5.20009789 +1 1.34119787 +1 0.55206203 +1
O -0.60204497 +1 -1.12853463 +1 1.24732269 +1
C -1.05812733 +1 -1.99063498 +1 2.20829041 +1
C 0.02957881 +1 -2.17941996 +1 3.28374010 +1
C -0.45354538 +1 -3.14145199 +1 4.36434279 +1
O -0.59429725 +1 1.64616545 +1 0.35712511 +1
C -1.05958789 +1 2.90688181 +1 0.62066279 +1
C -2.42410879 +1 3.10061562 +1 -0.06948202 +1
C -2.96492645 +1 4.50099991 +1 0.20190511 +1
O -0.59961476 +1 -0.51705734 +1 -1.60044584 +1
C -1.05760241 +1 -0.92905068 +1 -2.82310037 +1
C -1.24400709 +1 -2.45896646 +1 -2.80766768 +1
C -1.74727558 +1 -2.94523867 +1 -4.16308752 +1
H 3.48786521 +1 -0.18094571 +1 -1.04533387 +1
H 3.48295702 +1 -0.86531669 +1 0.63219607 +1
H 3.27657576 +1 1.49164221 +1 1.56822938 +1
H 3.27468563 +1 2.15864920 +1 -0.06252600 +1
H 5.58575679 +1 2.28875181 +1 0.94515625 +1
H 5.60690089 +1 1.21744973 +1 -0.45807432 +1
H 5.61054528 +1 0.53894744 +1 1.17575328 +1
H -1.30306964 +1 -2.95147630 +1 1.70920515 +1
H -1.98222433 +1 -1.55301667 +1 2.64100266 +1
H 0.29482359 +1 -1.19733950 +1 3.71957081 +1
H 0.95737859 +1 -2.55323269 +1 2.81066335 +1
H 0.30867739 +1 -3.28091482 +1 5.13935512 +1
H -0.68136076 +1 -4.13075731 +1 3.95140836 +1
H -1.35811777 +1 -2.77195360 +1 4.86040861 +1
H -0.30785444 +1 3.62956918 +1 0.23989180 +1
H -1.14471986 +1 3.01102107 +1 1.72272223 +1
H -3.13278421 +1 2.32962570 +1 0.28758889 +1
H -2.31753912 +1 2.92428276 +1 -1.15679190 +1
H -3.93693924 +1 4.64938412 +1 -0.28278511 +1
H -2.28912961 +1 5.27551902 +1 -0.17803467 +1
H -3.10611403 +1 4.67909754 +1 1.27399272 +1
H -0.31044107 +1 -0.62049812 +1 -3.58427083 +1
H -2.01795030 +1 -0.40637108 +1 -3.01653976 +1
H -1.94981322 +1 -2.73828811 +1 -2.00239473 +1
H -0.28612181 +1 -2.94689321 +1 -2.54490659 +1
H -1.87972659 +1 -4.03303599 +1 -4.16834049 +1
H -1.04449983 +1 -2.69850568 +1 -4.96713461 +1
H -2.71464508 +1 -2.49814804 +1 -4.41844606 +1