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	hartrees
Energy at 0K	-334.614246
Energy at 298.15K
HF Energy	-334.261574
Nuclear repulsion energy	54.762515

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2316	2154	75.89
2	Σ	474	440	166.58
3	Π	168	156	7.43
3	Π	168	156	7.43

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.324
C2	0.000	0.000	-0.702
N3	0.000	0.000	-1.857

	Al1	C2	N3
Al1		2.0259	3.1806
C2	2.0259		1.1547
N3	3.1806	1.1547

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

using model chemistry: CISD/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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