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	hartrees
Energy at 0K	-335.147658
Energy at 298.15K
HF Energy	-334.985365
Nuclear repulsion energy	54.536233

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	2172	2084	100.58	89.22	0.07	0.13
2	Σ	459	440	168.28	17.92	0.68	0.81
3	Π	137	132	7.23	6.94	0.75	0.86
3	Π	137	132	7.23	6.94	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.327
C2	0.000	0.000	-0.699
N3	0.000	0.000	-1.865

	Al1	C2	N3
Al1		2.0262	3.1913
C2	2.0262		1.1651
N3	3.1913	1.1651

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

using model chemistry: B2PLYP=FULL/aug-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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