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	hartrees
Energy at 0K	-335.149781
Energy at 298.15K
HF Energy	-334.985714
Nuclear repulsion energy	54.558035

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	2174	2174	100.75	90.39	0.07	0.12
2	Σ	462	462	168.09	17.64	0.68	0.81
3	Π	138	138	7.26	6.91	0.75	0.86
3	Π	138	138	7.26	6.91	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.326
C2	0.000	0.000	-0.699
N3	0.000	0.000	-1.864

	Al1	C2	N3
Al1		2.0251	3.1899
C2	2.0251		1.1649
N3	3.1899	1.1649

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

using model chemistry: B2PLYP=FULLultrafine/daug-cc-pVTZ

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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