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	hartrees
Energy at 0K	-1873.074933
Energy at 298.15K
HF Energy	-1873.074933
Nuclear repulsion energy	107.044095

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.748
N2	0.000	0.000	-1.182
C3	0.000	0.000	-2.362

	Zn1	N2	C3
Zn1		1.9296	3.1101
N2	1.9296		1.1804
C3	3.1101	1.1804

Number	Element	Mulliken
1	Zn	0.481
2	N	-0.401
3	C	-0.081

	x	y	z	Total
	0.000	0.000	3.781	3.781
CHELPG
AIM
ESP

All results from a given calculation for ZnNC (Zinc isocyanide)

using model chemistry: B97D3/cc-pVQZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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	x	y	z
x	6.132	-0.000	-0.000
y	-0.000	6.132	0.001
z	-0.000	0.001	13.326

<r²>	77.422
(<r²>)^1/2	8.799