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	hartrees
Energy at 0K	-335.259317
Energy at 298.15K
HF Energy	-335.259317
Nuclear repulsion energy	54.406173

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	2261	2173	90.12	70.07	0.12	0.22
2	Σ	465	447	151.08	20.61	0.73	0.84
3	Π	176	169	7.87	9.43	0.75	0.86
3	Π	176	169	7.87	9.43	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.330
C2	0.000	0.000	-0.700
N3	0.000	0.000	-1.869

	Al1	C2	N3
Al1		2.0297	3.1985
C2	2.0297		1.1688
N3	3.1985	1.1688

Number	Element	Mulliken
1	Al	0.323
2	C	0.016
3	N	-0.339

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

using model chemistry: B3LYPultrafine/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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<r²>	65.997
(<r²>)^1/2	8.124