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	hartrees
Energy at 0K	-333.470112
Energy at 298.15K
HF Energy	-333.470112
Nuclear repulsion energy	54.757528

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	2238	2153	101.54	54.24	0.12	0.21
2	Σ	500	481	132.89	19.03	0.72	0.84
3	Π	301	290	6.39	10.40	0.75	0.86
3	Π	301	290	6.39	10.40	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.316
C2	0.000	0.000	-0.684
N3	0.000	0.000	-1.857

	Al1	C2	N3
Al1		2.0004	3.1733
C2	2.0004		1.1729
N3	3.1733	1.1729

Number	Element	Mulliken
1	Al	0.394
2	C	0.016
3	N	-0.410

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

using model chemistry: B3LYP/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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<r²>	65.269
(<r²>)^1/2	8.079