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	hartrees
Energy at 0K	-335.170330
Energy at 298.15K
HF Energy	-334.979684
Nuclear repulsion energy	54.570944

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	2168	2168	100.78	84.71	0.08	0.14
2	Σ	460	460	167.15	17.62	0.70	0.82
3	Π	148	148	7.13	7.31	0.75	0.86
3	Π	148	148	7.13	7.31	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.325
C2	0.000	0.000	-0.698
N3	0.000	0.000	-1.863

	Al1	C2	N3
Al1		2.0235	3.1889
C2	2.0235		1.1654
N3	3.1889	1.1654

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

using model chemistry: B2PLYP=FULLultrafine/6-311+G(3df,2p)

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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