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	hartrees
Energy at 0K	-1872.357341
Energy at 298.15K	-1872.356712
HF Energy	-1872.357341
Nuclear repulsion energy	103.157492

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2293	2198	25.44
2	Σ	412	395	48.68
3	Π	194	186	1.67
3	Π	194	186	1.67

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.783
C2	0.000	0.000	-1.179
N3	0.000	0.000	-2.344

	Zn1	C2	N3
Zn1		1.9618	3.1273
C2	1.9618		1.1655
N3	3.1273	1.1655

Number	Element	Mulliken
1	Zn	0.308
2	C	-0.183
3	N	-0.125

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

using model chemistry: mPW1PW91/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>	82.498
(<r²>)^1/2	9.083