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	hartrees
Energy at 0K	-332.597107
Energy at 298.15K
HF Energy	-332.383291
Nuclear repulsion energy	54.055959

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2265	2110	78.18
2	Σ	482	449	148.68
3	Π	265	247	4.80
3	Π	265	247	4.80

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.340
C2	0.000	0.000	-0.709
N3	0.000	0.000	-1.881

	Al1	C2	N3
Al1		2.0489	3.2211
C2	2.0489		1.1722
N3	3.2211	1.1722

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

using model chemistry: CID/3-21G

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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