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	hartrees
Energy at 0K	-335.158534
Energy at 298.15K
HF Energy	-335.000031
Nuclear repulsion energy	58.147611

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	2086	2086	384.72	95.31	0.10	0.18
2	Σ	543	543	189.90	15.79	0.68	0.81
3	Π	115	115	3.02	6.42	0.75	0.86
3	Π	115	115	3.02	6.42	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.207
N2	0.000	0.000	-0.662
C3	0.000	0.000	-1.842

	Al1	N2	C3
Al1		1.8683	3.0484
N2	1.8683		1.1801
C3	3.0484	1.1801

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

using model chemistry: B2PLYP=FULL/daug-cc-pVTZ

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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