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	hartrees
Energy at 0K	-334.774231
Energy at 298.15K
HF Energy	-334.282241
Nuclear repulsion energy	58.567412

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2163	2057	413.83
2	Σ	564	536	189.81
3	Π	176	167	2.94
3	Π	176	167	2.94

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.197
N2	0.000	0.000	-0.655
C3	0.000	0.000	-1.829

	Al1	N2	C3
Al1		1.8522	3.0263
N2	1.8522		1.1741
C3	3.0263	1.1741

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

using model chemistry: CCSD=FULL/aug-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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