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	hartrees
Energy at 0K	-17.410481
Energy at 298.15K
HF Energy	-17.078629
Nuclear repulsion energy	14.419365

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	Σ	1996	1901	129.48	54.82	0.09	0.17
2	Σ	463	441	158.42	17.92	0.72	0.83
3	Π	163	156	4.50	8.35	0.75	0.86
3	Π	163	156	4.50	8.35	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.340
C2	0.000	0.000	-0.696
N3	0.000	0.000	-1.892

	Al1	C2	N3
Al1		2.0362	3.2327
C2	2.0362		1.1965
N3	3.2327	1.1965

All results from a given calculation for AlCN (Aluminum monocyanide)

using model chemistry: MP2/CEP-121G*

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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