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	hartrees
Energy at 0K	-335.222983
Energy at 298.15K
HF Energy	-335.222983
Nuclear repulsion energy	57.582185

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	2158	2158	443.04	78.56	0.15	0.26
2	Σ	540	540	181.16	18.02	0.70	0.82
3	Π	93	93	1.53	7.90	0.75	0.86
3	Π	93	93	1.53	7.90	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.220
N2	0.000	0.000	-0.673
C3	0.000	0.000	-1.859

	Al1	N2	C3
Al1		1.8936	3.0792
N2	1.8936		1.1856
C3	3.0792	1.1856

Number	Element	Mulliken
1	Al	0.389
2	N	-0.259
3	C	-0.130

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

using model chemistry: M06-2X/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>	58.815
(<r²>)^1/2	7.669