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	hartrees
Energy at 0K	-332.384666
Energy at 298.15K
HF Energy	-332.384666
Nuclear repulsion energy	54.737178

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	2466	2234	62.61	47.96	0.11	0.21
2	Σ	498	451	171.04	18.61	0.75	0.86
3	Π	299	271	7.42	16.64	0.75	0.86
3	Π	299	271	7.42	16.64	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.327
C2	0.000	0.000	-0.709
N3	0.000	0.000	-1.858

	Al1	C2	N3
Al1		2.0363	3.1850
C2	2.0363		1.1487
N3	3.1850	1.1487

Number	Element	Mulliken
1	Al	0.646
2	C	-0.209
3	N	-0.437

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

using model chemistry: HF/3-21G

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>	66.537
(<r²>)^1/2	8.157