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	hartrees
Energy at 0K	-335.060434
Energy at 298.15K
HF Energy	-335.060434
Nuclear repulsion energy	57.497559

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	2126	2045	423.91	77.41	0.14	0.25
2	Σ	535	514	173.64	20.89	0.69	0.82
3	Π	80	77	2.09	8.77	0.75	0.86
3	Π	80	77	2.09	8.77	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.222
N2	0.000	0.000	-0.673
C3	0.000	0.000	-1.862

	Al1	N2	C3
Al1		1.8943	3.0834
N2	1.8943		1.1891
C3	3.0834	1.1891

Number	Element	Mulliken
1	Al	0.378
2	N	-0.249
3	C	-0.129

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

using model chemistry: HSEh1PBE/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>	59.035
(<r²>)^1/2	7.683