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	hartrees
Energy at 0K	-1871.912718
Energy at 298.15K	-1871.911628
HF Energy	-1871.912718
Nuclear repulsion energy	104.607184

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2288	2198	26.59
2	Σ	434	417	43.88
3	Π	53	51	2.36
3	Π	53	51	2.36

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.771
C2	0.000	0.000	-1.151
N3	0.000	0.000	-2.317

	Zn1	C2	N3
Zn1		1.9219	3.0880
C2	1.9219		1.1661
N3	3.0880	1.1661

Number	Element	Mulliken
1	Zn	0.392
2	C	0.031
3	N	-0.423

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

using model chemistry: B3LYPultrafine/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>	80.663
(<r²>)^1/2	8.981