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	hartrees
Energy at 0K	-331.057524
Energy at 298.15K
HF Energy	-331.057524
Nuclear repulsion energy	53.512738

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	2150	1989	129.20	24.72	0.28	0.43
2	Σ	519	480	119.53	10.51	0.32	0.49
3	Π	146	135	0.30	1.67	0.75	0.86
3	Π	146	135	0.30	1.67	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.340
C2	0.000	0.000	-0.686
N3	0.000	0.000	-1.901

	Al1	C2	N3
Al1		2.0266	3.2417
C2	2.0266		1.2151
N3	3.2417	1.2151

Number	Element	Mulliken
1	Al	0.514
2	C	-0.259
3	N	-0.255

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

using model chemistry: BLYP/STO-3G

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>	63.801
(<r²>)^1/2	7.988