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	hartrees
Energy at 0K	-333.442775
Energy at 298.15K
HF Energy	-333.442775
Nuclear repulsion energy	57.538544

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	1978	1965	341.00	75.07	0.15	0.26
2	Σ	566	562	129.44	26.55	0.66	0.79
3	Π	154	153	2.23	8.28	0.75	0.86
3	Π	154	153	2.23	8.28	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.215
N2	0.000	0.000	-0.657
C3	0.000	0.000	-1.865

	Al1	N2	C3
Al1		1.8718	3.0792
N2	1.8718		1.2074
C3	3.0792	1.2074

Number	Element	Mulliken
1	Al	0.383
2	N	-0.570
3	C	0.187

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

using model chemistry: BLYP/3-21G*

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>	58.911
(<r²>)^1/2	7.675