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	hartrees
Energy at 0K	-1872.219641
Energy at 298.15K	-1872.218947
HF Energy	-1872.219641
Nuclear repulsion energy	103.060710

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2260	2180	25.71
2	Σ	405	391	51.55
3	Π	174	168	2.96
3	Π	174	168	2.96

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	-2.347

	Zn1	C2	N3
Zn1		1.9632	3.1304
C2	1.9632		1.1672
N3	3.1304	1.1672

Number	Element	Mulliken
1	Zn	0.017
2	C	0.210
3	N	-0.227

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

using model chemistry: B3PW91/aug-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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	x	y	z
x	6.143	0.000	0.001
y	0.000	6.144	-0.000
z	0.001	-0.000	9.023

<r²>	82.950
(<r²>)^1/2	9.108