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	hartrees
Energy at 0K	-335.306011
Energy at 298.15K
HF Energy	-335.306011
Nuclear repulsion energy	54.541645

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	2222	2144	91.44	96.82	0.07	0.14
2	Σ	459	443	159.42	19.43	0.67	0.81
3	Π	128	123	8.09	8.49	0.75	0.86
3	Π	128	123	8.09	8.49	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.328
C2	0.000	0.000	-0.702
N3	0.000	0.000	-1.864

	Al1	C2	N3
Al1		2.0297	3.1921
C2	2.0297		1.1624
N3	3.1921	1.1624

Number	Element	Mulliken
1	Al	0.267
2	C	0.039
3	N	-0.306

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

using model chemistry: TPSSh/aug-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>	66.074
(<r²>)^1/2	8.129