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	hartrees
Energy at 0K	-335.276475
Energy at 298.15K
HF Energy	-335.276475
Nuclear repulsion energy	58.384935

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	2111	2037	415.33	76.58	0.11	0.20
2	Σ	567	547	158.22	18.44	0.72	0.84
3	Π	88	85	3.17	7.95	0.75	0.86
3	Π	88	85	3.17	7.95	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.199
N2	0.000	0.000	-0.653
C3	0.000	0.000	-1.836

	Al1	N2	C3
Al1		1.8514	3.0351
N2	1.8514		1.1838
C3	3.0351	1.1838

Number	Element	Mulliken
1	Al	0.233
2	N	-0.036
3	C	-0.196

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

using model chemistry: B3LYP/6-31G(2df,p)

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>	57.542
(<r²>)^1/2	7.586