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	hartrees
Energy at 0K	-335.117844
Energy at 298.15K
HF Energy	-334.985251
Nuclear repulsion energy	54.432382

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	2163	2079	100.42	89.59	0.07	0.13
2	Σ	456	438	168.58	18.10	0.68	0.81
3	Π	138	133	7.09	6.90	0.75	0.86
3	Π	138	133	7.09	6.90	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.330
C2	0.000	0.000	-0.702
N3	0.000	0.000	-1.868

	Al1	C2	N3
Al1		2.0312	3.1978
C2	2.0312		1.1665
N3	3.1978	1.1665

Number	Element	Mulliken
1	Al	0.235
2	C	0.001
3	N	-0.236

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

using model chemistry: B2PLYP/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>	66.330
(<r²>)^1/2	8.144