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	hartrees
Energy at 0K	-335.218794
Energy at 298.15K
HF Energy	-335.218794
Nuclear repulsion energy	54.168975

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	2167	2134	97.09	102.79	0.07	0.14
2	Σ	443	436	158.00	22.16	0.65	0.79
3	Π	111	109	6.83	6.89	0.75	0.86
3	Π	111	109	6.83	6.89	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.338
C2	0.000	0.000	-0.710
N3	0.000	0.000	-1.877

	Al1	C2	N3
Al1		2.0478	3.2153
C2	2.0478		1.1675
N3	3.2153	1.1675

Number	Element	Mulliken
1	Al	0.294
2	C	-0.016
3	N	-0.278

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

using model chemistry: B97D3/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>	66.826
(<r²>)^1/2	8.175