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	hartrees
Energy at 0K	-1872.212783
Energy at 298.15K	-1872.212143
HF Energy	-1872.212783
Nuclear repulsion energy	103.018158

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2271	2192	26.41
2	Σ	407	393	46.61
3	Π	192	185	1.60
3	Π	192	185	1.60

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.784
C2	0.000	0.000	-1.180
N3	0.000	0.000	-2.348

	Zn1	C2	N3
Zn1		1.9637	3.1317
C2	1.9637		1.1680
N3	3.1317	1.1680

Number	Element	Mulliken
1	Zn	0.299
2	C	-0.180
3	N	-0.119

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

using model chemistry: B3PW91/cc-pVDZ

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>	82.643
(<r²>)^1/2	9.091