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	hartrees
Energy at 0K	-335.097905
Energy at 298.15K
HF Energy	-335.097905
Nuclear repulsion energy	58.291174

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	2132	2051	450.07	89.48	0.10	0.17
2	Σ	545	525	187.33	16.83	0.68	0.81
3	Π	85	82	3.07	6.72	0.75	0.86
3	Π	85	82	3.07	6.72	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.204
N2	0.000	0.000	-0.661
C3	0.000	0.000	-1.837

	Al1	N2	C3
Al1		1.8653	3.0411
N2	1.8653		1.1758
C3	3.0411	1.1758

Number	Element	Mulliken
1	Al	0.159
2	N	0.024
3	C	-0.182

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

using model chemistry: HSEh1PBE/aug-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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<r²>	58.015
(<r²>)^1/2	7.617