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	hartrees
Energy at 0K	-335.080231
Energy at 298.15K
HF Energy	-334.950645
Nuclear repulsion energy	58.384826

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	2081	2081	368.08	79.62	0.12	0.22
2	Σ	573	573	161.49	17.52	0.71	0.83
3	Π	96	96	3.45	8.10	0.75	0.86
3	Π	96	96	3.45	8.10	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.198
N2	0.000	0.000	-0.650
C3	0.000	0.000	-1.837

	Al1	N2	C3
Al1		1.8482	3.0349
N2	1.8482		1.1867
C3	3.0349	1.1867

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

using model chemistry: B2PLYP=FULL/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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