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	hartrees
Energy at 0K	-335.032567
Energy at 298.15K
HF Energy	-335.032567
Nuclear repulsion energy	54.171870

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	2163	2140	100.36	71.49	0.13	0.23
2	Σ	450	446	143.92	23.27	0.71	0.83
3	Π	121	119	5.44	9.55	0.75	0.86
3	Π	121	119	5.44	9.55	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.335
C2	0.000	0.000	-0.703
N3	0.000	0.000	-1.877

	Al1	C2	N3
Al1		2.0385	3.2124
C2	2.0385		1.1739
N3	3.2124	1.1739

Number	Element	Mulliken
1	Al	0.436
2	C	-0.245
3	N	-0.191

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

using model chemistry: PBEPBE/6-311G*

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>	66.514
(<r²>)^1/2	8.156