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	hartrees
Energy at 0K	-335.124225
Energy at 298.15K
HF Energy	-334.977559
Nuclear repulsion energy	54.302749

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	2176	2176	100.70	65.87	0.12	0.21
2	Σ	459	459	166.08	18.19	0.71	0.83
3	Π	166	166	4.71	10.01	0.75	0.86
3	Π	166	166	4.71	10.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.334
C2	0.000	0.000	-0.706
N3	0.000	0.000	-1.873

	Al1	C2	N3
Al1		2.0394	3.2064
C2	2.0394		1.1670
N3	3.2064	1.1670

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

using model chemistry: B2PLYP=FULLultrafine/TZVP

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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