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	hartrees
Energy at 0K	-334.264182
Energy at 298.15K
HF Energy	-334.264182
Nuclear repulsion energy	55.006571

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	2473	2237	49.86	99.30	0.06	0.11
2	Σ	466	422	188.88	13.79	0.75	0.85
3	Π	185	168	10.32	9.98	0.75	0.86
3	Π	185	168	10.32	9.98	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.325
C2	0.000	0.000	-0.713
N3	0.000	0.000	-1.849

	Al1	C2	N3
Al1		2.0378	3.1731
C2	2.0378		1.1354
N3	3.1731	1.1354

Number	Element	Mulliken
1	Al	0.078
2	C	0.205
3	N	-0.283

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

using model chemistry: HF/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>	66.023
(<r²>)^1/2	8.125