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	hartrees
Energy at 0K	-1871.039551
Energy at 298.15K	-1871.039005
HF Energy	-1870.149773
Nuclear repulsion energy	103.281105

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2247	2247	26.85
2	Σ	431	431	56.59
3	Π	215	215	3.15
3	Π	215	215	3.15

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.781
C2	0.000	0.000	-1.169
N3	0.000	0.000	-2.346

	Zn1	C2	N3
Zn1		1.9497	3.1266
C2	1.9497		1.1770
N3	3.1266	1.1770

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

using model chemistry: CCSD=FULL/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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