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	hartrees
Energy at 0K	-334.620768
Energy at 298.15K
HF Energy	-334.263270
Nuclear repulsion energy	54.717757

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2314	2314	72.82
2	Σ	468	468	173.28
3	Π	163	163	8.40
3	Π	163	163	8.40

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.326
C2	0.000	0.000	-0.704
N3	0.000	0.000	-1.858

	Al1	C2	N3
Al1		2.0296	3.1838
C2	2.0296		1.1542
N3	3.1838	1.1542

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

using model chemistry: CISD/daug-cc-pVTZ

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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