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	hartrees
Energy at 0K	-335.077164
Energy at 298.15K
HF Energy	-334.967839
Nuclear repulsion energy	57.134968

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	2057	2057	380.06	95.81	0.12	0.21
2	Σ	510	510	198.75	18.34	0.64	0.78
3	Π	80	80	2.12	6.18	0.75	0.86
3	Π	80	80	2.12	6.18	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.230
N2	0.000	0.000	-0.679
C3	0.000	0.000	-1.873

	Al1	N2	C3
Al1		1.9092	3.1033
N2	1.9092		1.1942
C3	3.1033	1.1942

Number	Element	Mulliken
1	Al	0.539
2	N	-0.235
3	C	-0.304

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

using model chemistry: B2PLYP/aug-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>	60.032
(<r²>)^1/2	7.748