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	hartrees
Energy at 0K	-1872.200416
Energy at 298.15K	-1872.199703
HF Energy	-1872.200416
Nuclear repulsion energy	101.939906

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2303	2303	19.05
2	Σ	402	402	51.30
3	Π	169	169	2.62
3	Π	169	169	2.63

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.793
C2	0.000	0.000	-1.205
N3	0.000	0.000	-2.367

	Zn1	C2	N3
Zn1		1.9987	3.1608
C2	1.9987		1.1620
N3	3.1608	1.1620

Number	Element	Mulliken
1	Zn	0.287
2	C	-0.083
3	N	-0.204

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

using model chemistry: M06-2X/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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	x	y	z
x	6.248	-0.000	0.001
y	-0.000	6.247	-0.001
z	0.001	-0.001	8.538

<r²>	84.678
(<r²>)^1/2	9.202