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	hartrees
Energy at 0K	-334.654398
Energy at 298.15K
HF Energy	-334.255788
Nuclear repulsion energy	54.634025

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2222	2120	79.80
2	Σ	470	448	160.55
3	Π	168	161	7.40
3	Π	168	161	7.40

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.324
C2	0.000	0.000	-0.697
N3	0.000	0.000	-1.861

	Al1	C2	N3
Al1		2.0215	3.1853
C2	2.0215		1.1638
N3	3.1853	1.1638

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

using model chemistry: QCISD/6-311+G(3df,2p)

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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