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	hartrees
Energy at 0K	-335.282145
Energy at 298.15K
HF Energy	-335.282145
Nuclear repulsion energy	53.926165

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	2157	2152	96.51	75.59	0.13	0.23
2	Σ	437	436	155.66	22.86	0.68	0.81
3	Π	144	144	4.25	8.83	0.75	0.86
3	Π	144	144	4.25	8.83	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.345
C2	0.000	0.000	-0.714
N3	0.000	0.000	-1.886

	Al1	C2	N3
Al1		2.0588	3.2304
C2	2.0588		1.1716
N3	3.2304	1.1716

Number	Element	Mulliken
1	Al	0.337
2	C	-0.288
3	N	-0.049

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

using model chemistry: BLYP/TZVP

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>	67.264
(<r²>)^1/2	8.201