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	hartrees
Energy at 0K	-335.072797
Energy at 298.15K
HF Energy	-335.072797
Nuclear repulsion energy	54.616853

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	2272	2182	86.30	69.04	0.13	0.22
2	Σ	463	444	157.47	19.12	0.73	0.85
3	Π	144	139	6.20	11.12	0.75	0.86
3	Π	144	139	6.20	11.12	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.326
C2	0.000	0.000	-0.702
N3	0.000	0.000	-1.862

	Al1	C2	N3
Al1		2.0279	3.1880
C2	2.0279		1.1601
N3	3.1880	1.1601

Number	Element	Mulliken
1	Al	0.476
2	C	-0.259
3	N	-0.217

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

using model chemistry: HSEh1PBE/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>	65.823
(<r²>)^1/2	8.113