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	hartrees
Energy at 0K	-334.971174
Energy at 298.15K
HF Energy	-334.883558
Nuclear repulsion energy	53.540988

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	2097	2097	90.18	60.27	0.10	0.19
2	Σ	449	449	153.33	24.04	0.73	0.84
3	Π	191	191	4.35	9.93	0.75	0.86
3	Π	191	191	4.35	9.93	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.349
C2	0.000	0.000	-0.707
N3	0.000	0.000	-1.899

	Al1	C2	N3
Al1		2.0560	3.2483
C2	2.0560		1.1923
N3	3.2483	1.1923

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

using model chemistry: B2PLYP=FULLultrafine/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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