PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
ti(nhme)4r
2895 Ti(NHMe)4 (Geo)
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REF: DGAUSS using the Lee-Parr-Yang correlation functional, in CAChe 5.0, Fujitsu Ltd, 2001.
PM7
Ti(NHMe)4
<Ti-N> GR=B88_LYP
Ti 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
N 1.92330000 +1 0.0000000 +0 0.0000000 +0 1 0 0
N 1.91751990 +1 109.5140592 +1 0.0000000 +0 1 2 0
N 1.91730901 +1 109.1249571 +1 119.6313966 +1 1 2 3
N 1.91720937 +1 109.7470957 +1 -119.9929801 +1 1 2 3
C 1.46791202 +1 132.8797947 +1 104.1796576 +1 2 1 3
C 1.46812182 +1 132.7325533 +1 16.3878936 +1 3 1 2
C 1.46819472 +1 132.7095325 +1 -134.3218834 +1 4 1 2
C 1.46818928 +1 132.6825000 +1 -103.9334665 +1 5 1 2
H 1.01987809 +1 117.8302967 +1 -77.5628828 +1 2 1 3
H 1.01985434 +1 118.0141430 +1 -161.9960438 +1 3 1 2
H 1.01995133 +1 118.0913350 +1 44.2044781 +1 4 1 2
H 1.01991518 +1 118.0814832 +1 77.6408983 +1 5 1 2
H 1.10502798 +1 111.7692286 +1 122.0459720 +1 6 2 1
H 1.10527438 +1 111.2467454 +1 2.4102791 +1 6 2 1
H 1.10592431 +1 111.1006387 +1 -116.9487907 +1 6 2 1
H 1.10508019 +1 111.7959459 +1 -122.0340443 +1 7 3 1
H 1.10532320 +1 111.2799156 +1 -2.3794062 +1 7 3 1
H 1.10593960 +1 111.0890924 +1 116.9718670 +1 7 3 1
H 1.10537640 +1 111.2624015 +1 2.1146430 +1 8 4 1
H 1.10578383 +1 111.1545443 +1 -117.2597605 +1 8 4 1
H 1.10511322 +1 111.7486712 +1 121.7346909 +1 8 4 1
H 1.10514193 +1 111.7547258 +1 -121.8911701 +1 9 5 1
H 1.10587657 +1 111.1452788 +1 117.1067480 +1 9 5 1
H 1.10528708 +1 111.2760631 +1 -2.2794863 +1 9 5 1