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	hartrees
Energy at 0K	-1872.294772
Energy at 298.15K	-1872.293841
HF Energy	-1872.294772
Nuclear repulsion energy	108.440491

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2126	2063	253.73
2	Σ	445	431	54.69
3	Π	92	89	0.24
3	Π	92	89	0.24

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.737
N2	0.000	0.000	-1.155
C3	0.000	0.000	-2.339

	Zn1	N2	C3
Zn1		1.8926	3.0769
N2	1.8926		1.1843
C3	3.0769	1.1843

Number	Element	Mulliken
1	Zn	0.205
2	N	-0.013
3	C	-0.192

All results from a given calculation for ZnNC (Zinc isocyanide)

using model chemistry: B3LYPultrafine/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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<r²>	76.273
(<r²>)^1/2	8.733