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	hartrees
Energy at 0K	-334.234930
Energy at 298.15K
HF Energy	-334.234930
Nuclear repulsion energy	54.427161

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	2468	2247	47.13	94.25	0.07	0.13
2	Σ	446	406	195.22	15.26	0.74	0.85
3	Π	173	158	9.29	9.67	0.75	0.86
3	Π	173	158	9.29	9.67	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.340
C2	0.000	0.000	-0.723
N3	0.000	0.000	-1.868

	Al1	C2	N3
Al1		2.0625	3.2079
C2	2.0625		1.1455
N3	3.2079	1.1455

Number	Element	Mulliken
1	Al	0.586
2	C	-0.392
3	N	-0.194

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

using model chemistry: HF/aug-cc-pVDZ

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>	67.220
(<r²>)^1/2	8.199