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	hartrees
Energy at 0K	-1871.691897
Energy at 298.15K	-1871.691162
HF Energy	-1871.691897
Nuclear repulsion energy	103.005471

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2182	2159	11.77
2	Σ	370	366	24.90
3	Π	174	172	0.31
3	Π	174	172	0.31

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.784
C2	0.000	0.000	-1.178
N3	0.000	0.000	-2.349

	Zn1	C2	N3
Zn1		1.9618	3.1328
C2	1.9618		1.1710
N3	3.1328	1.1710

Number	Element	Mulliken
1	Zn	0.631
2	C	-0.374
3	N	-0.257

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

using model chemistry: PBEPBEultrafine/6-311G*

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>	82.437
(<r²>)^1/2	9.079