Accuracy
co2(co)8
3505 Co2(CO)8
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Geometry predicted using PM7
ΔHf: -283.0 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 PULAY SHIFT PM7
Co2(CO)8
H=-283.0 HR=NIST
Co 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Co 2.66194723 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.53213238 +1 117.3440709 +1 0.0000000 +0 1 2 0
C 1.84916299 +1 44.6623022 +1 -66.3907195 +1 1 2 3
C 1.84943421 +1 44.6623133 +1 -65.1894887 +1 2 1 3
O 1.17116104 +1 145.6559542 +1 179.3634678 +1 3 2 1
O 1.19903807 +1 135.3804037 +1 -179.7480981 +1 4 1 2
O 1.19903756 +1 135.3772844 +1 -179.5679507 +1 5 2 1
C 1.53116790 +1 114.4505936 +1 -61.5300892 +1 1 2 4
C 1.53247510 +1 114.4056526 +1 -106.4686753 +1 1 2 9
O 1.17432591 +1 138.9506267 +1 -179.9320200 +1 9 2 1
O 1.17417255 +1 138.7424767 +1 -179.9672420 +1 10 2 1
C 1.53194851 +1 117.3150273 +1 66.3991806 +1 2 1 5
C 1.53207550 +1 114.3924344 +1 125.7236617 +1 2 1 13
C 1.53123896 +1 114.4780218 +1 106.5085330 +1 2 1 14
O 1.17137876 +1 145.5632235 +1 179.5579906 +1 13 1 2
O 1.17421684 +1 138.7127628 +1 -179.8259466 +1 14 1 2
O 1.17440799 +1 138.9061588 +1 -179.7831988 +1 15 1 2