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	hartrees
Energy at 0K	-333.420631
Energy at 298.15K
HF Energy	-333.420631
Nuclear repulsion energy	54.204712

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	2227	2148	91.58	57.80	0.11	0.20
2	Σ	481	464	138.32	22.76	0.73	0.85
3	Π	261	252	5.42	10.36	0.75	0.86
3	Π	261	252	5.42	10.36	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.334
C2	0.000	0.000	-0.702
N3	0.000	0.000	-1.876

	Al1	C2	N3
Al1		2.0368	3.2103
C2	2.0368		1.1735
N3	3.2103	1.1735

Number	Element	Mulliken
1	Al	0.524
2	C	-0.126
3	N	-0.397

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

using model chemistry: B3LYPultrafine/3-21G

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>	66.671
(<r²>)^1/2	8.165