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	hartrees
Energy at 0K	-334.662097
Energy at 298.15K
HF Energy	-334.275508
Nuclear repulsion energy	58.300227

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2128	2006	413.76
2	Σ	554	522	191.55
3	Π	112	105	2.56
3	Π	112	105	2.56

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.203
N2	0.000	0.000	-0.658
C3	0.000	0.000	-1.838

	Al1	N2	C3
Al1		1.8609	3.0402
N2	1.8609		1.1793
C3	3.0402	1.1793

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

using model chemistry: CCSD/6-311+G(3df,2p)

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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