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	hartrees
Energy at 0K	-334.756458
Energy at 298.15K
HF Energy	-334.280764
Nuclear repulsion energy	58.423950

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2152	2041	402.18
2	Σ	564	535	184.65
3	Π	133	126	2.95
3	Π	133	126	2.95

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.200
N2	0.000	0.000	-0.657
C3	0.000	0.000	-1.834

	Al1	N2	C3
Al1		1.8577	3.0338
N2	1.8577		1.1762
C3	3.0338	1.1762

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

using model chemistry: CCSD=FULL/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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