PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
(c6h5)-se-se-(c6h5)
4091 (C6H5)-Se-Se-(C6H5)
(Previous)
(Back)
(Next)
ΔHf: 56.7 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
(C6H5)-Se-Se-(C6H5)
H=56.72 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.39423855 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.39458039 +1 119.9850262 +1 0.0000000 +0 2 1 0
C 1.39385238 +1 120.0921437 +1 -0.5738907 +1 3 2 1
C 1.39475131 +1 119.9328034 +1 0.6039966 +1 4 3 2
C 1.38974447 +1 119.5915775 +1 -0.0609829 +1 1 2 3
C 4.61191831 +1 109.6297082 +1 -48.3562103 +1 1 2 3
C 1.39429640 +1 109.3330119 +1 -104.5587722 +1 7 1 6
C 1.39454851 +1 119.9687577 +1 -64.2825660 +1 8 7 6
C 1.39386490 +1 120.1039351 +1 -0.4924739 +1 9 8 7
C 1.39467071 +1 119.9293762 +1 0.6849840 +1 10 9 8
C 1.38970850 +1 119.6028820 +1 -0.2848932 +1 7 8 9
Se 1.91136701 +1 120.7033432 +1 -178.8640246 +1 6 1 2
Se 1.91109566 +1 120.7198673 +1 -178.4876390 +1 12 7 8
H 1.08998769 +1 119.8544385 +1 -179.8382072 +1 1 2 3
H 1.08804329 +1 119.9560901 +1 179.7526107 +1 2 1 6
H 1.08886306 +1 119.9660702 +1 179.4221626 +1 3 2 1
H 1.08821467 +1 120.1553248 +1 -179.8793388 +1 4 3 2
H 1.08996828 +1 119.7558314 +1 179.4261727 +1 5 4 3
H 1.09004857 +1 119.8333108 +1 -179.9996212 +1 7 8 9
H 1.08799626 +1 119.9809670 +1 179.5765547 +1 8 7 12
H 1.08891607 +1 119.9663622 +1 179.5185666 +1 9 8 7
H 1.08819882 +1 120.1635997 +1 -179.8245843 +1 10 9 8
H 1.08998181 +1 119.7455675 +1 179.2709561 +1 11 10 9