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	hartrees
Energy at 0K	-1871.857805
Energy at 298.15K	-1871.857101
HF Energy	-1871.857805
Nuclear repulsion energy	102.887975

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2181	2181	31.95
2	Σ	386	386	38.79
3	Π	178	178	2.76
3	Π	178	178	2.76

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.785
C2	0.000	0.000	-1.182
N3	0.000	0.000	-2.351

	Zn1	C2	N3
Zn1		1.9669	3.1355
C2	1.9669		1.1686
N3	3.1355	1.1686

Number	Element	Mulliken
1	Zn	0.239
2	C	-0.264
3	N	0.026

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

using model chemistry: PBEPBEultrafine/Def2TZVPP

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>	83.137
(<r²>)^1/2	9.118