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	hartrees
Energy at 0K	-100.159825
Energy at 298.15K	-100.158879
HF Energy	-99.808053
Nuclear repulsion energy	27.382528

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2065	2065
2	Σ	624	624
3	Π	167	167
3	Π	167	167

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-2.081
C2	0.000	0.000	-0.155
N3	0.000	0.000	1.024

	Li1	C2	N3
Li1		1.9263	3.1051
C2	1.9263		1.1789
N3	3.1051	1.1789

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: ROMP2/cc-pCVTZ

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	0.544
2	C	-0.246
3	N	-0.298

<r²>	26.107
(<r²>)^1/2	5.110