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	hartrees
Energy at 0K	-333.241789
Energy at 298.15K
HF Energy	-333.158239
Nuclear repulsion energy	57.951115

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	2016	2016	324.26	82.18	0.17	0.28
2	Σ	591	591	150.07	19.78	0.69	0.81
3	Π	165	165	2.19	9.55	0.75	0.86
3	Π	165	165	2.19	9.55	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.205
N2	0.000	0.000	-0.651
C3	0.000	0.000	-1.852

	Al1	N2	C3
Al1		1.8558	3.0571
N2	1.8558		1.2013
C3	3.0571	1.2013

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

using model chemistry: B2PLYP=FULLultrafine/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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