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	hartrees
Energy at 0K	-335.054346
Energy at 298.15K
HF Energy	-335.054346
Nuclear repulsion energy	57.718966

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	2041	2041	408.47	88.26	0.10	0.19
2	Σ	524	524	173.09	23.05	0.62	0.77
3	Π	69	69	3.34	6.28	0.75	0.86
3	Π	69	69	3.34	6.28	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.216
N2	0.000	0.000	-0.667
C3	0.000	0.000	-1.855

	Al1	N2	C3
Al1		1.8831	3.0712
N2	1.8831		1.1881
C3	3.0712	1.1881

Number	Element	Mulliken
1	Al	-0.300
2	N	0.013
3	C	0.287

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

using model chemistry: PBEPBE/daug-cc-pVTZ

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>	58.911
(<r²>)^1/2	7.675