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	hartrees
Energy at 0K	-100.156683
Energy at 298.15K	-100.155748
HF Energy	-99.808508
Nuclear repulsion energy	27.596349

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2211	2085	8.43
2	Σ	621	586	129.15
3	Π	172	162	35.56
3	Π	172	162	35.56

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-2.077
C2	0.000	0.000	-0.148
N3	0.000	0.000	1.017

	Li1	C2	N3
Li1		1.9293	3.0948
C2	1.9293		1.1656
N3	3.0948	1.1656

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: CCSD/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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