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	hartrees
Energy at 0K	-333.988718
Energy at 298.15K
HF Energy	-333.988718
Nuclear repulsion energy	58.456623

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	2089	2089	408.54	84.81	0.10	0.18
2	Σ	546	546	171.62	19.91	0.65	0.79
3	Π	55	55	4.14	6.45	0.75	0.86
3	Π	55	55	4.14	6.45	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.199
N2	0.000	0.000	-0.655
C3	0.000	0.000	-1.833

	Al1	N2	C3
Al1		1.8533	3.0318
N2	1.8533		1.1785
C3	3.0318	1.1785

Number	Element	Mulliken
1	Al	0.024
2	N	-0.021
3	C	-0.003

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

using model chemistry: LSDA/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>	57.659
(<r²>)^1/2	7.593