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	hartrees
Energy at 0K	-334.847431
Energy at 298.15K
HF Energy	-334.261002
Nuclear repulsion energy	54.725284

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2249	2249	84.80
2	Σ	470	470	160.33
3	Π	170	170	6.37
3	Π	170	170	6.37

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.322
C2	0.000	0.000	-0.698
N3	0.000	0.000	-1.858

	Al1	C2	N3
Al1		2.0200	3.1805
C2	2.0200		1.1605
N3	3.1805	1.1605

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

using model chemistry: CCSD=FULL/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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