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	hartrees
Energy at 0K	-334.655144
Energy at 298.15K
HF Energy	-334.260735
Nuclear repulsion energy	54.633130

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2241	2241	84.50
2	Σ	469	469	158.06
3	Π	169	169	6.47
3	Π	169	169	6.47

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.325
C2	0.000	0.000	-0.699
N3	0.000	0.000	-1.861

	Al1	C2	N3
Al1		2.0231	3.1858
C2	2.0231		1.1627
N3	3.1858	1.1627

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

using model chemistry: CCSD/Def2TZVPP

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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