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	hartrees
Energy at 0K	-100.153151
Energy at 298.15K	-100.152219
HF Energy	-99.808763
Nuclear repulsion energy	27.635719

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2231	2104	8.32
2	Σ	623	587	130.30
3	Π	173	163	35.65
3	Π	173	163	35.65

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-2.076
C2	0.000	0.000	-0.147
N3	0.000	0.000	1.016

	Li1	C2	N3
Li1		1.9289	3.0923
C2	1.9289		1.1634
N3	3.0923	1.1634

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	C2	N3	180.000		Li1	N3	C2	0.000
C2	Li1	N3	0.000

All results from a given calculation for LiCN (lithium cyanide)

using model chemistry: CCD/6-311+G(3df,2p)

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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