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	hartrees
Energy at 0K	-335.249301
Energy at 298.15K
HF Energy	-335.003036
Nuclear repulsion energy	58.177591

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	2076	2076	385.22	94.59	0.10	0.19
2	Σ	539	539	189.66	15.52	0.68	0.81
3	Π	97	97	2.92	6.38	0.75	0.86
3	Π	97	97	2.92	6.38	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.205
N2	0.000	0.000	-0.660
C3	0.000	0.000	-1.841

	Al1	N2	C3
Al1		1.8657	3.0467
N2	1.8657		1.1810
C3	3.0467	1.1810

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

using model chemistry: B2PLYP=FULL/aug-cc-pCVTZ

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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