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	hartrees
Energy at 0K	-17.523267
Energy at 298.15K
HF Energy	-17.523267
Nuclear repulsion energy	14.437762

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	2222	2145	58.90	75.28	0.15	0.27
2	Σ	450	435	152.16	16.81	0.65	0.79
3	Π	138	134	3.85	10.54	0.75	0.86
3	Π	138	134	3.85	10.54	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.348
C2	0.000	0.000	-0.708
N3	0.000	0.000	-1.897

	Al1	C2	N3
Al1		2.0560	3.2448
C2	2.0560		1.1888
N3	3.2448	1.1888

Number	Element	Mulliken
1	Al	0.313
2	C	-0.555
3	N	0.243

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

using model chemistry: B3LYP/CEP-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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<r²>	40.225
(<r²>)^1/2	6.342