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	hartrees
Energy at 0K	-335.319416
Energy at 298.15K
HF Energy	-335.319416
Nuclear repulsion energy	54.531004

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	2248	2248	83.89	97.22	0.07	0.13
2	Σ	449	449	169.11	18.16	0.68	0.81
3	Π	131	131	7.11	6.82	0.75	0.86
3	Π	131	131	7.11	6.82	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.330
C2	0.000	0.000	-0.707
N3	0.000	0.000	-1.865

	Al1	C2	N3
Al1		2.0371	3.1949
C2	2.0371		1.1578
N3	3.1949	1.1578

Number	Element	Mulliken
1	Al	-0.084
2	C	0.494
3	N	-0.410

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

using model chemistry: B3LYP/daug-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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<r²>	66.205
(<r²>)^1/2	8.137