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	hartrees
Energy at 0K	-1872.302049
Energy at 298.15K	-1872.301332
HF Energy	-1872.302049
Nuclear repulsion energy	102.572522

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2250	2183	24.74
2	Σ	396	385	50.09
3	Π	169	164	2.79
3	Π	169	164	2.79

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.788
C2	0.000	0.000	-1.189
N3	0.000	0.000	-2.356

	Zn1	C2	N3
Zn1		1.9768	3.1440
C2	1.9768		1.1672
N3	3.1440	1.1672

Number	Element	Mulliken
1	Zn	-0.000
2	C	0.176
3	N	-0.175

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

using model chemistry: B3LYPultrafine/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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<r²>	83.724
(<r²>)^1/2	9.150