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	hartrees
Energy at 0K	-1871.919330
Energy at 298.15K	-1871.918403
HF Energy	-1871.919330
Nuclear repulsion energy	111.898879

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2148	2072	236.05
2	Σ	522	503	44.94
3	Π	78	75	0.65
3	Π	78	75	0.65

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.713
N2	0.000	0.000	-1.101
C3	0.000	0.000	-2.281

	Zn1	N2	C3
Zn1		1.8144	2.9942
N2	1.8144		1.1797
C3	2.9942	1.1797

Number	Element	Mulliken
1	Zn	0.527
2	N	-0.291
3	C	-0.236

All results from a given calculation for ZnNC (Zinc isocyanide)

using model chemistry: B3LYPultrafine/6-31G(2df,p)

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>	72.246
(<r²>)^1/2	8.500