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	hartrees
Energy at 0K	-335.060927
Energy at 298.15K
HF Energy	-335.060927
Nuclear repulsion energy	57.820091

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	2037	2037	409.01	87.44	0.10	0.19
2	Σ	526	526	171.69	22.46	0.63	0.77
3	Π	72	72	3.37	6.37	0.75	0.86
3	Π	72	72	3.37	6.37	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.213
N2	0.000	0.000	-0.664
C3	0.000	0.000	-1.853

	Al1	N2	C3
Al1		1.8770	3.0655
N2	1.8770		1.1885
C3	3.0655	1.1885

Number	Element	Mulliken
1	Al	0.365
2	N	-0.272
3	C	-0.093

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

using model chemistry: PBEPBE/aug-cc-pCVTZ

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>	58.717
(<r²>)^1/2	7.663