PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
titanium tetra-n-butoxide
2911 Titanium tetra-n-butoxide
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ΔHf: -377.1 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 tetra-n-butoxide
H=-377.15 HR=NIST
Ti 0.00757303 +1 0.01544562 +1 0.01367594 +1
O 1.79335122 +1 0.00580476 +1 0.00363513 +1
C 3.16188984 +1 -0.01767725 +1 -0.00859408 +1
C 3.69874169 +1 1.38991204 +1 0.31238875 +1
C 5.22992324 +1 1.38799656 +1 0.31564866 +1
O -0.61520319 +1 1.63275614 +1 0.44278820 +1
C -1.11389891 +1 2.86688226 +1 0.76191478 +1
C 0.04258050 +1 3.79065548 +1 1.18888661 +1
C -0.49200799 +1 5.18222269 +1 1.53789645 +1
O -0.59871306 +1 -0.41607320 +1 -1.60967570 +1
C -1.06352538 +1 -0.73692096 +1 -2.85712752 +1
C -1.38559403 +1 -2.24246274 +1 -2.90974766 +1
C -1.81877541 +1 -2.66467771 +1 -4.31704688 +1
O -0.56446887 +1 -1.17175862 +1 1.21859468 +1
C -1.00677951 +1 -2.08134064 +1 2.14065321 +1
C -2.18348628 +1 -2.87716590 +1 1.54533025 +1
C -2.69201154 +1 -3.90863732 +1 2.55610405 +1
C 5.77136332 +1 2.78199840 +1 0.63353090 +1
C 0.64554977 +1 6.10851642 +1 1.96966503 +1
C -3.22237061 +1 -2.16406184 +1 -4.66101736 +1
C -3.85940374 +1 -4.70819660 +1 1.97727585 +1
H 3.48268981 +1 -0.35391689 +1 -1.01715321 +1
H 3.49285717 +1 -0.75974031 +1 0.74841021 +1
H 3.30458245 +1 1.72370487 +1 1.29027677 +1
H 3.30840150 +1 2.11377825 +1 -0.42691212 +1
H 5.61329839 +1 1.05048018 +1 -0.66602723 +1
H 5.60897679 +1 0.65890272 +1 1.05678295 +1
H -1.84855891 +1 2.73069872 +1 1.58373589 +1
H -1.63677784 +1 3.26032862 +1 -0.13557302 +1
H 0.79130061 +1 3.84891200 +1 0.37698958 +1
H 0.57495052 +1 3.34585233 +1 2.05017583 +1
H -1.24555785 +1 5.11011380 +1 2.34543682 +1
H -1.02117521 +1 5.61695747 +1 0.66829967 +1
H -0.27399812 +1 -0.46671689 +1 -3.58947705 +1
H -1.96865354 +1 -0.12186149 +1 -3.04585963 +1
H -2.17020945 +1 -2.48119218 +1 -2.16789029 +1
H -0.49404055 +1 -2.81660507 +1 -2.59225380 +1
H -1.79293052 +1 -3.76926764 +1 -4.39394723 +1
H -1.09090774 +1 -2.29873877 +1 -5.06633815 +1
H -1.31534033 +1 -1.51859127 +1 3.04699086 +1
H -0.15342844 +1 -2.74562491 +1 2.39359515 +1
H -1.86299730 +1 -3.36967444 +1 0.60836849 +1
H -2.99243066 +1 -2.18202506 +1 1.25232181 +1
H -3.00841764 +1 -3.40357890 +1 3.48873809 +1
H -1.87313108 +1 -4.59474545 +1 2.84484707 +1
H 6.86627243 +1 2.79164854 +1 0.64252515 +1
H 5.43025289 +1 3.12905740 +1 1.61547717 +1
H 5.44140824 +1 3.51771391 +1 -0.10882571 +1
H 0.27162947 +1 7.10552628 +1 2.22502039 +1
H 1.38802406 +1 6.22906224 +1 1.17292394 +1
H 1.16789724 +1 5.71707223 +1 2.84985136 +1
H -3.53162678 +1 -2.49841636 +1 -5.65684128 +1
H -3.27570800 +1 -1.06990014 +1 -4.65120186 +1
H -3.96327186 +1 -2.53424061 +1 -3.94357263 +1
H -4.22616756 +1 -5.45043431 +1 2.69420811 +1
H -3.56603367 +1 -5.24513119 +1 1.06817554 +1
H -4.70149010 +1 -4.05716531 +1 1.71699335 +1