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	hartrees
Energy at 0K	-335.131787
Energy at 298.15K
HF Energy	-334.968312
Nuclear repulsion energy	54.468226

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	2166	2166	104.99	61.73	0.12	0.21
2	Σ	466	466	155.76	18.24	0.73	0.84
3	Π	155	155	5.33	9.73	0.75	0.86
3	Π	155	155	5.33	9.73	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.327
C2	0.000	0.000	-0.697
N3	0.000	0.000	-1.867

	Al1	C2	N3
Al1		2.0244	3.1940
C2	2.0244		1.1696
N3	3.1940	1.1696

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

using model chemistry: B2PLYP=FULL/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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