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	hartrees
Energy at 0K	-1872.264856
Energy at 298.15K	-1872.264186
HF Energy	-1872.264856
Nuclear repulsion energy	103.275634

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2237	2167	29.20
2	Σ	404	391	47.31
3	Π	182	176	2.50
3	Π	182	176	2.50

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.782
C2	0.000	0.000	-1.180
N3	0.000	0.000	-2.341

	Zn1	C2	N3
Zn1		1.9620	3.1230
C2	1.9620		1.1610
N3	3.1230	1.1610

Number	Element	Mulliken
1	Zn	0.446
2	C	-0.377
3	N	-0.068

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

using model chemistry: TPSSh/cc-pVTZ

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>	82.542
(<r²>)^1/2	9.085