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	hartrees
Energy at 0K	-335.058311
Energy at 298.15K
HF Energy	-335.058311
Nuclear repulsion energy	54.484336

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	2282	2190	84.42	72.76	0.13	0.23
2	Σ	461	442	165.90	18.72	0.72	0.84
3	Π	163	156	5.51	11.70	0.75	0.86
3	Π	163	156	5.51	11.70	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.332
C2	0.000	0.000	-0.708
N3	0.000	0.000	-1.866

	Al1	C2	N3
Al1		2.0394	3.1978
C2	2.0394		1.1584
N3	3.1978	1.1584

Number	Element	Mulliken
1	Al	0.362
2	C	-0.328
3	N	-0.034

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

using model chemistry: PBE1PBE/TZVP

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>	66.243
(<r²>)^1/2	8.139