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	hartrees
Energy at 0K	-335.275035
Energy at 298.15K
HF Energy	-335.275035
Nuclear repulsion energy	54.751171

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	2276	2276	83.64	89.55	0.08	0.15
2	Σ	456	456	168.19	17.67	0.71	0.83
3	Π	136	136	7.48	7.79	0.75	0.86
3	Π	136	136	7.48	7.79	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.324
C2	0.000	0.000	-0.702
N3	0.000	0.000	-1.857

	Al1	C2	N3
Al1		2.0262	3.1812
C2	2.0262		1.1550
N3	3.1812	1.1550

Number	Element	Mulliken
1	Al	0.439
2	C	0.356
3	N	-0.795

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

using model chemistry: B1B95/6-311+G(3df,2p)

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>	65.634
(<r²>)^1/2	8.101