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	hartrees
Energy at 0K	-100.152635
Energy at 298.15K	-100.151706
HF Energy	-99.809177
Nuclear repulsion energy	27.707504

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2285	2285	6.41
2	Σ	624	624	132.14
3	Π	174	174	35.52
3	Π	174	174	35.52

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-2.074
C2	0.000	0.000	-0.146
N3	0.000	0.000	1.014

	Li1	C2	N3
Li1		1.9283	3.0877
C2	1.9283		1.1595
N3	3.0877	1.1595

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: MP3/6-311+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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