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	hartrees
Energy at 0K	-17.084496
Energy at 298.15K
HF Energy	-17.084496
Nuclear repulsion energy	14.818065

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	2444	2208	46.74	77.73	0.11	0.20
2	Σ	464	419	186.39	15.22	0.75	0.86
3	Π	201	182	7.39	13.97	0.75	0.86
3	Π	201	182	7.39	13.97	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.333
C2	0.000	0.000	-0.716
N3	0.000	0.000	-1.862

	Al1	C2	N3
Al1		2.0488	3.1949
C2	2.0488		1.1461
N3	3.1949	1.1461

Number	Element	Mulliken
1	Al	0.366
2	C	-0.332
3	N	-0.034

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

using model chemistry: HF/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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<r²>	39.877
(<r²>)^1/2	6.315