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	hartrees
Energy at 0K	-17.534243
Energy at 298.15K
HF Energy	-17.534243
Nuclear repulsion energy	14.648095

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	2253	2253	64.10	76.87	0.12	0.21
2	Σ	453	453	168.69	17.23	0.74	0.85
3	Π	181	181	4.67	10.39	0.75	0.86
3	Π	181	181	4.67	10.39	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.337
C2	0.000	0.000	-0.709
N3	0.000	0.000	-1.876

	Al1	C2	N3
Al1		2.0467	3.2129
C2	2.0467		1.1662
N3	3.2129	1.1662

Number	Element	Mulliken
1	Al	0.322
2	C	-0.344
3	N	0.022

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

using model chemistry: wB97X-D/CEP-121G*

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>	39.687
(<r²>)^1/2	6.300