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	hartrees
Energy at 0K	-334.708942
Energy at 298.15K
HF Energy	-334.253494
Nuclear repulsion energy	54.401436

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2241	2124	81.92
2	Σ	469	445	157.39
3	Π	178	169	4.36
3	Π	178	169	4.36

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.332
C2	0.000	0.000	-0.705
N3	0.000	0.000	-1.869

	Al1	C2	N3
Al1		2.0368	3.2009
C2	2.0368		1.1641
N3	3.2009	1.1641

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

using model chemistry: CCSD=FULL/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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