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	hartrees
Energy at 0K	-1871.479828
Energy at 298.15K
HF Energy	-1871.479828
Nuclear repulsion energy	105.104649

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2204	2168	27.85
2	Σ	439	431	33.92
3	Π	89i	87i	2.45
3	Π	89i	87i	2.45

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.766
C2	0.000	0.000	-1.134
N3	0.000	0.000	-2.312

	Zn1	C2	N3
Zn1		1.8998	3.0780
C2	1.8998		1.1782
N3	3.0780	1.1782

Number	Element	Mulliken
1	Zn	0.371
2	C	0.037
3	N	-0.408

All results from a given calculation for ZnCN (Zinc monocyanide)

using model chemistry: PBEPBEultrafine/6-31G*

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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<r²>	79.997
(<r²>)^1/2	8.944