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	hartrees
Energy at 0K	-335.165674
Energy at 298.15K
HF Energy	-335.165674
Nuclear repulsion energy	54.326327

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	2173	2173	102.47	77.51	0.11	0.20
2	Σ	462	462	136.74	22.13	0.69	0.82
3	Π	128	128	7.88	8.15	0.75	0.86
3	Π	128	128	7.88	8.15	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.330
C2	0.000	0.000	-0.697
N3	0.000	0.000	-1.872

	Al1	C2	N3
Al1		2.0272	3.2016
C2	2.0272		1.1745
N3	3.2016	1.1745

Number	Element	Mulliken
1	Al	0.185
2	C	0.013
3	N	-0.198

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

using model chemistry: B97D3/6-31G(2df,p)

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>	66.061
(<r²>)^1/2	8.128