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	hartrees
Energy at 0K	-99.784647
Energy at 298.15K	-99.783722
HF Energy	-99.784647
Nuclear repulsion energy	27.790667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2206	2206	12.11
2	Σ	639	639	121.55
3	Π	173	173	34.90
3	Π	173	173	34.91

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-2.047
C2	0.000	0.000	-0.153
N3	0.000	0.000	1.009

	Li1	C2	N3
Li1		1.8938	3.0559
C2	1.8938		1.1622
N3	3.0559	1.1622

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: LSDA/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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Number	Element	Mulliken
1	Li	0.302
2	C	0.394
3	N	-0.696

	x	y	z	Total
	0.000	0.000	-9.003	9.003
CHELPG
AIM
ESP

<r²>	25.750
(<r²>)^1/2	5.074