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	hartrees
Energy at 0K	-335.143592
Energy at 298.15K
HF Energy	-335.143592
Nuclear repulsion energy	54.013422

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	2265	2265	61.18	61.64	0.12	0.21
2	Σ	456	456	163.36	21.26	0.74	0.85
3	Π	204	204	4.24	11.06	0.75	0.86
3	Π	204	204	4.24	11.06	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.341
C2	0.000	0.000	-0.708
N3	0.000	0.000	-1.883

	Al1	C2	N3
Al1		2.0490	3.2232
C2	2.0490		1.1741
N3	3.2232	1.1741

Number	Element	Mulliken
1	Al	0.539
2	C	-0.221
3	N	-0.319

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

using model chemistry: M06-2X/6-31G

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>	66.996
(<r²>)^1/2	8.185