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	hartrees
Energy at 0K	-335.044810
Energy at 298.15K
HF Energy	-334.927815
Nuclear repulsion energy	54.372102

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	2181	2181	106.51	62.85	0.12	0.21
2	Σ	473	473	151.08	19.70	0.73	0.84
3	Π	182	182	7.64	9.42	0.75	0.86
3	Π	182	182	7.64	9.42	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.327
C2	0.000	0.000	-0.694
N3	0.000	0.000	-1.870

	Al1	C2	N3
Al1		2.0212	3.1977
C2	2.0212		1.1765
N3	3.1977	1.1765

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

using model chemistry: B2PLYP=FULL/6-31G**

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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