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	hartrees
Energy at 0K	-335.101509
Energy at 298.15K
HF Energy	-335.101509
Nuclear repulsion energy	58.406969

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	2131	2131	435.99	86.57	0.12	0.22
2	Σ	550	550	179.51	16.58	0.73	0.84
3	Π	89	89	3.31	8.12	0.75	0.86
3	Π	89	89	3.31	8.12	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.201
N2	0.000	0.000	-0.658
C3	0.000	0.000	-1.834

	Al1	N2	C3
Al1		1.8589	3.0348
N2	1.8589		1.1759
C3	3.0348	1.1759

Number	Element	Mulliken
1	Al	0.242
2	N	-0.155
3	C	-0.087

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

using model chemistry: HSEh1PBE/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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<r²>	57.715
(<r²>)^1/2	7.597