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	hartrees
Energy at 0K	-335.189620
Energy at 298.15K
HF Energy	-335.189620
Nuclear repulsion energy	56.998470

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	2032	2014	389.41	75.03	0.15	0.25
2	Σ	518	514	156.06	27.01	0.64	0.78
3	Π	75	74	2.19	8.26	0.75	0.86
3	Π	75	74	2.19	8.26	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.232
N2	0.000	0.000	-0.678
C3	0.000	0.000	-1.878

	Al1	N2	C3
Al1		1.9101	3.1104
N2	1.9101		1.2003
C3	3.1104	1.2003

Number	Element	Mulliken
1	Al	0.358
2	N	-0.216
3	C	-0.142

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

using model chemistry: B97D3/cc-pVDZ

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>	59.800
(<r²>)^1/2	7.733