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	hartrees
Energy at 0K	-335.219305
Energy at 298.15K
HF Energy	-335.219305
Nuclear repulsion energy	54.175336

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	2168	2168	97.19	103.45	0.07	0.13
2	Σ	443	443	157.99	21.98	0.65	0.79
3	Π	110	110	6.85	6.87	0.75	0.86
3	Π	110	110	6.85	6.87	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.338
C2	0.000	0.000	-0.709
N3	0.000	0.000	-1.877

	Al1	C2	N3
Al1		2.0475	3.2149
C2	2.0475		1.1674
N3	3.2149	1.1674

Number	Element	Mulliken
1	Al	0.065
2	C	0.443
3	N	-0.507

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

using model chemistry: B97D3/daug-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>	66.806
(<r²>)^1/2	8.173