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	hartrees
Energy at 0K	-335.298278
Energy at 298.15K
HF Energy	-335.298278
Nuclear repulsion energy	57.611599

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	2033	2033	404.68	90.54	0.10	0.19
2	Σ	515	515	176.57	22.19	0.62	0.77
3	Π	85	85	2.70	5.78	0.75	0.86
3	Π	85	85	2.70	5.78	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.219
N2	0.000	0.000	-0.671
C3	0.000	0.000	-1.858

	Al1	N2	C3
Al1		1.8902	3.0773
N2	1.8902		1.1871
C3	3.0773	1.1871

Number	Element	Mulliken
1	Al	-0.277
2	N	0.191
3	C	0.086

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

using model chemistry: BLYP/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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<r²>	59.160
(<r²>)^1/2	7.692