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	hartrees
Energy at 0K	-1872.236783
Energy at 298.15K	-1872.236120
HF Energy	-1872.236783
Nuclear repulsion energy	102.872441

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2235	2173	27.96
2	Σ	403	392	43.16
3	Π	186	181	1.56
3	Π	186	181	1.56

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.785
C2	0.000	0.000	-1.180
N3	0.000	0.000	-2.352

	Zn1	C2	N3
Zn1		1.9644	3.1368
C2	1.9644		1.1724
N3	3.1368	1.1724

Number	Element	Mulliken
1	Zn	0.306
2	C	-0.169
3	N	-0.136

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

using model chemistry: TPSSh/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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<r²>	82.835
(<r²>)^1/2	9.101