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	hartrees
Energy at 0K	-17.102671
Energy at 298.15K
HF Energy	-17.102671
Nuclear repulsion energy	15.397440

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	2270	2051	605.31	85.99	0.13	0.23
2	Σ	563	508	215.25	12.80	0.74	0.85
3	Π	185	167	0.90	9.41	0.75	0.86
3	Π	185	167	0.90	9.41	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.201
N2	0.000	0.000	-0.661
C3	0.000	0.000	-1.832

	Al1	N2	C3
Al1		1.8625	3.0330
N2	1.8625		1.1705
C3	3.0330	1.1705

Number	Element	Mulliken
1	Al	0.373
2	N	-0.220
3	C	-0.154

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

using model chemistry: HF/CEP-121G*

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>	34.973
(<r²>)^1/2	5.914