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	hartrees
Energy at 0K	-334.545787
Energy at 298.15K
HF Energy	-334.205790
Nuclear repulsion energy	54.352606

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2228	2098	80.87
2	Σ	478	450	143.46
3	Π	169	159	6.85
3	Π	169	159	6.85

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.328
C2	0.000	0.000	-0.695
N3	0.000	0.000	-1.871

	Al1	C2	N3
Al1		2.0229	3.1991
C2	2.0229		1.1762
N3	3.1991	1.1762

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

using model chemistry: QCISD/6-31G**

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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