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	hartrees
Energy at 0K	-1871.868938
Energy at 298.15K	-1871.868314
HF Energy	-1871.636052
Nuclear repulsion energy	102.812013

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2187	2095	40.54
2	Σ	414	396	47.72
3	Π	195	187	1.49
3	Π	195	187	1.49

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.785
C2	0.000	0.000	-1.178
N3	0.000	0.000	-2.355

	Zn1	C2	N3
Zn1		1.9629	3.1395
C2	1.9629		1.1766
N3	3.1395	1.1766

Number	Element	Mulliken
1	Zn	0.297
2	C	-0.206
3	N	-0.091

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

using model chemistry: B2PLYP/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>	83.044
(<r²>)^1/2	9.113