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	hartrees
Energy at 0K	-100.066483
Energy at 298.15K	-100.065584
HF Energy	-99.771233
Nuclear repulsion energy	27.537918

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2316	2316	8.65
2	Σ	638	638	119.79
3	Π	183	183	45.04
3	Π	183	183	45.04

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-2.078
C2	0.000	0.000	-0.150
N3	0.000	0.000	1.019

	Li1	C2	N3
Li1		1.9283	3.0974
C2	1.9283		1.1691
N3	3.0974	1.1691

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=FULL/6-31G**

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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