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	hartrees
Energy at 0K	-335.060833
Energy at 298.15K
HF Energy	-334.934564
Nuclear repulsion energy	54.648589

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	2172	2075	109.18	66.59	0.10	0.19
2	Σ	479	458	146.84	17.95	0.71	0.83
3	Π	155	148	8.12	8.38	0.75	0.86
3	Π	155	148	8.12	8.38	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.320
C2	0.000	0.000	-0.689
N3	0.000	0.000	-1.861

	Al1	C2	N3
Al1		2.0089	3.1809
C2	2.0089		1.1720
N3	3.1809	1.1720

Number	Element	Mulliken
1	Al	0.195
2	C	-0.050
3	N	-0.145

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

using model chemistry: B2PLYP/6-31G(2df,p)

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>	65.468
(<r²>)^1/2	8.091