PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
mn(co)5h
3256 Mn(CO)5H
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ΔHf: -176.8 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
Mn(CO)5H
H=-176.8 HR=NIST
Mn 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.84750455 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.85343345 +1 93.2291025 +1 0.0000000 +0 1 2 0
C 1.85349488 +1 93.7661117 +1 89.8770416 +1 1 2 3
C 1.85360833 +1 93.4437035 +1 179.9654834 +1 1 2 3
C 1.85346324 +1 93.7978819 +1 -90.1038833 +1 1 2 3
H 1.53528925 +1 179.9939407 +1 -0.0326691 +1 1 2 3
O 1.14874378 +1 178.3720671 +1 -179.6403413 +1 4 1 2
O 1.14872815 +1 178.7961577 +1 151.4128515 +1 5 1 2
O 1.14877752 +1 179.2529642 +1 125.1337274 +1 3 1 2
O 1.15074350 +1 179.9849176 +1 -111.0380295 +1 2 1 3
O 1.14875510 +1 178.3190872 +1 89.8240779 +1 6 1 3