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	hartrees
Energy at 0K	-1873.046967
Energy at 298.15K	-1873.046125
HF Energy	-1873.046967
Nuclear repulsion energy	101.292255

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2159	2159	23.59
2	Σ	341	341	32.49
3	Π	148	148	2.62
3	Π	148	148	2.59

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.798
C2	0.000	0.000	-1.207
N3	0.000	0.000	-2.385

	Zn1	C2	N3
Zn1		2.0051	3.1828
C2	2.0051		1.1776
N3	3.1828	1.1776

Number	Element	Mulliken
1	Zn	0.072
2	C	0.110
3	N	-0.181

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

using model chemistry: B97D3/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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	x	y	z
x	6.232	-0.007	-0.011
y	-0.007	6.220	-0.039
z	-0.011	-0.039	10.691

<r²>	85.221
(<r²>)^1/2	9.232