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	hartrees
Energy at 0K	-1872.296778
Energy at 298.15K
HF Energy	-1872.296778
Nuclear repulsion energy

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.781
C2	0.000	0.000	-1.183
N3	0.000	0.000	-2.335

	Zn1	C2	N3
Zn1		1.9643	3.1163
C2	1.9643		1.1519
N3	3.1163	1.1519

Number	Element	Mulliken
1	Zn	0.459
2	C	-0.287
3	N	-0.172

	x	y	z	Total
	0.000	0.000	4.476	4.476
CHELPG
AIM
ESP

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

using model chemistry: wB97X-D/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>	82.480
(<r²>)^1/2	9.082