PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
cr(co)4, anion
3160 Cr(CO)4, anion
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ΔHf: -66.1 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.
RELSCF=100 SYMMETRY SHIFT=5 CHARGE=-1 PM7
Cr(CO)4, anion
HR=NIST H=-66.12
Cr 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.93495152 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.93495152 +0 109.4712210 +0 0.0000000 +0 1 2 0
C 1.93495152 +0 109.4712210 +0 120.0000000 +0 1 2 3
C 1.93495152 +0 109.4712210 +0 -120.0000000 +0 1 2 3
O 1.17584358 +1 180.0000000 +0 0.0000000 +0 2 1 3
O 1.17584358 +0 180.0000000 +0 0.0000000 +0 3 1 2
O 1.17584358 +0 180.0000000 +0 0.0000000 +0 4 1 3
O 1.17584358 +0 180.0000000 +0 0.0000000 +0 5 1 2