PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
nickel, atom
3510 Nickel, atom
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Species
Formula
3500
CoCl3
Cl3Co
3501
Co(III)N3Cl3 (AMPRCO) (Geo)
C6H17N3Cl3Co
3502
Co(III)N3Cl3 (AMPRCO)
C6H17N3Cl3Co
3503
Co(III)SN2Cl3 (CATBAA) (Geo)
C4H12N2SCl3Co
3504
Co(III)SN2Cl3 (CATBAA)
C4H12N2SCl3Co
3505
Co(II)Cl4(2-) (DMDPCO) (Geo)
Cl4Co
3506
Co2(CO)8
C8O8Co2
3507
Co2(CO)8 (Geo)
C8O8Co2
3508
Cobalt dichloride, dimer
Cl4Co2
3509
Nickel, cation
Ni
3510
Nickel, atom
Ni
3511
Ni(II)(NH3)4
H12N4Ni
3512
Ni(II)(NH3)4 (Geo)
H12N4Ni
3513
Ni(II)(CN)4
C4N4Ni
3514
Ni(II)(CN)4 (Geo)
C4N4Ni
3515
Pentacyanonickelate(II) ion (Geo)
C5N5Ni
3516
Pentacyanonickelate(II) ion
C5N5Ni
3517
Ni(II)(NH3)6
H18N6Ni
3518
Ni(II)(NH3)6 (Geo)
H18N6Ni
3519
Ni(II)(en)3 (Geo)
C6H24N6Ni
3520
Ni(II)N6(2+) (AEAMNI10) (Geo)
C8H26N6Ni
Δ
H
f
:
102.8 kcal/mol,
REF:
"CRC Handbook of Chemistry and Physics," 60th Edition, R. C. Weast, (Ed.), CRC Press, Boca Raton, FL, 1980.
OPEN(8,5) MECI PM7 Nickel, atom H=102.8 HR=CRC Ni 0.00000000 +0 0.00000000 +0 0.00000000 +0