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	hartrees
Energy at 0K	-100.127636
Energy at 298.15K	-100.126720
HF Energy	-99.809463
Nuclear repulsion energy	27.771449

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2293	2119	5.49
2	Σ	628	581	133.32
3	Π	177	164	34.85
3	Π	177	164	34.85

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-2.071
C2	0.000	0.000	-0.145
N3	0.000	0.000	1.012

	Li1	C2	N3
Li1		1.9265	3.0827
C2	1.9265		1.1562
N3	3.0827	1.1562

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: CID/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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