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	hartrees
Energy at 0K	-1872.258959
Energy at 298.15K	-1872.258066
HF Energy	-1872.258959
Nuclear repulsion energy	109.089698

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2113	2039	240.11
2	Σ	446	431	52.24
3	Π	103	99	0.59
3	Π	103	99	0.59

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.733
N2	0.000	0.000	-1.148
C3	0.000	0.000	-2.326

	Zn1	N2	C3
Zn1		1.8811	3.0587
N2	1.8811		1.1776
C3	3.0587	1.1776

Number	Element	Mulliken
1	Zn	0.640
2	N	-0.351
3	C	-0.288

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

using model chemistry: TPSSh/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	6.437	-0.000	-0.001
y	-0.000	6.437	0.000
z	-0.001	0.000	10.384

<r²>	75.503
(<r²>)^1/2	8.689