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	hartrees
Energy at 0K	-334.664733
Energy at 298.15K
HF Energy	-334.262083
Nuclear repulsion energy	54.487384

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2221	2221	78.72
2	Σ	465	465	161.81
3	Π	160	160	7.21
3	Π	160	160	7.21

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.329
C2	0.000	0.000	-0.702
N3	0.000	0.000	-1.866

	Al1	C2	N3
Al1		2.0305	3.1949
C2	2.0305		1.1645
N3	3.1949	1.1645

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

using model chemistry: QCISD/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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