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	hartrees
Energy at 0K	-1872.343831
Energy at 298.15K	-1872.342902
HF Energy	-1872.343831
Nuclear repulsion energy	107.359335

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2047	2040	118.29
2	Σ	399	397	21.32
3	Π	105	104	0.22
3	Π	105	104	0.22

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.746
N2	0.000	0.000	-1.174
C3	0.000	0.000	-2.358

	Zn1	N2	C3
Zn1		1.9195	3.1034
N2	1.9195		1.1840
C3	3.1034	1.1840

Number	Element	Mulliken
1	Zn	0.515
2	N	-0.229
3	C	-0.286

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

using model chemistry: BLYP/aug-cc-pVTZ

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	6.219	0.001	0.001
y	0.001	6.220	-0.002
z	0.001	-0.002	13.277

<r²>	77.455
(<r²>)^1/2	8.801