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	hartrees
Energy at 0K	-1871.933413
Energy at 298.15K	-1871.932796
HF Energy	-1871.636052
Nuclear repulsion energy	102.887162

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2188	2098	40.41
2	Σ	415	398	47.51
3	Π	197	189	1.50
3	Π	197	189	1.50

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.000	0.000	0.784
C2	0.000	0.000	-1.177
N3	0.000	0.000	-2.353

	Zn1	C2	N3
Zn1		1.9609	3.1374
C2	1.9609		1.1764
N3	3.1374	1.1764

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

using model chemistry: B2PLYP=FULL/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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