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	hartrees
Energy at 0K	-1870.180083
Energy at 298.15K
HF Energy	-1870.180083
Nuclear repulsion energy	102.446970

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.791
C2	0.000	0.000	-1.216
N3	0.000	0.000	-2.349

	Zn1	C2	N3
Zn1		2.0069	3.1407
C2	2.0069		1.1338
N3	3.1407	1.1338

Number	Element	Mulliken
1	Zn	0.497
2	C	0.026
3	N	-0.523

	x	y	z	Total
	0.000	0.000	4.998	4.998
CHELPG
AIM
ESP

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

using model chemistry: HF/aug-cc-pVQZ

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>	84.415
(<r²>)^1/2	9.188