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	hartrees
Energy at 0K	-334.994741
Energy at 298.15K
HF Energy	-334.994741
Nuclear repulsion energy	54.359280

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	2166	2143	103.68	74.86	0.11	0.19
2	Σ	465	460	133.56	22.78	0.69	0.81
3	Π	125	124	7.87	8.10	0.75	0.86
3	Π	125	124	7.87	8.10	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.327
C2	0.000	0.000	-0.693
N3	0.000	0.000	-1.871

	Al1	C2	N3
Al1		2.0204	3.1981
C2	2.0204		1.1777
N3	3.1981	1.1777

Number	Element	Mulliken
1	Al	0.145
2	C	0.067
3	N	-0.212

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

using model chemistry: PBEPBEultrafine/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>	65.883
(<r²>)^1/2	8.117