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	hartrees
Energy at 0K	-334.771036
Energy at 298.15K
HF Energy	-334.266041
Nuclear repulsion energy	55.248812

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	Σ	2092	2003	131.42	59.57	0.06	0.11
2	Σ	515	493	156.72	15.68	0.74	0.85
3	Π	196	188	8.55	8.85	0.75	0.86
3	Π	196	188	8.55	8.85	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.300
C2	0.000	0.000	-0.668
N3	0.000	0.000	-1.841

	Al1	C2	N3
Al1		1.9678	3.1411
C2	1.9678		1.1733
N3	3.1411	1.1733

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

using model chemistry: MP2=FULL/cc-pVQZ

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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