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	hartrees
Energy at 0K	-335.061326
Energy at 298.15K
HF Energy	-334.948523
Nuclear repulsion energy	57.632304

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	2083	388.59	85.98	0.15	0.27
2	Σ	536	536	195.72	18.17	0.70	0.83
3	Π	167	167	1.07	9.07	0.75	0.86
3	Π	167	167	1.07	9.07	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.217
N2	0.000	0.000	-0.667
C3	0.000	0.000	-1.859

	Al1	N2	C3
Al1		1.8843	3.0756
N2	1.8843		1.1913
C3	3.0756	1.1913

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

using model chemistry: B2PLYP=FULLultrafine/6-31+G**

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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