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	hartrees
Energy at 0K	-1871.934570
Energy at 298.15K	-1871.933696
HF Energy	-1871.662367
Nuclear repulsion energy	109.080995

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2095	2013	255.81
2	Σ	457	439	71.16
3	Π	105	101	0.68
3	Π	105	101	0.68

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.733
N2	0.000	0.000	-1.147
C3	0.000	0.000	-2.326

	Zn1	N2	C3
Zn1		1.8805	3.0594
N2	1.8805		1.1789
C3	3.0594	1.1789

Number	Element	Mulliken
1	Zn	0.615
2	N	-0.241
3	C	-0.374

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

using model chemistry: B2PLYP/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	6.281	0.000	0.000
y	0.000	6.281	-0.000
z	0.000	-0.000	9.132

<r²>	75.699
(<r²>)^1/2	8.701