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	hartrees
Energy at 0K	-333.231867
Energy at 298.15K
HF Energy	-333.231867
Nuclear repulsion energy	58.136259

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	2083	2001	383.33	79.16	0.16	0.27
2	Σ	596	573	149.65	20.00	0.71	0.83
3	Π	173	166	1.93	10.21	0.75	0.86
3	Π	173	166	1.93	10.21	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.202
N2	0.000	0.000	-0.651
C3	0.000	0.000	-1.846

	Al1	N2	C3
Al1		1.8526	3.0476
N2	1.8526		1.1950
C3	3.0476	1.1950

Number	Element	Mulliken
1	Al	0.432
2	N	-0.664
3	C	0.232

All results from a given calculation for AlNC (Aluminum isocyanide)

using model chemistry: PBE1PBE/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>	58.065
(<r²>)^1/2	7.620