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	hartrees
Energy at 0K	-334.786342
Energy at 298.15K
HF Energy	-334.261428
Nuclear repulsion energy	54.675693

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2191	2112
2	Σ	470	453
3	Π	142	137
3	Π	142	137

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.322
C2	0.000	0.000	-0.694
N3	0.000	0.000	-1.860

	Al1	C2	N3
Al1		2.0152	3.1816
C2	2.0152		1.1664
N3	3.1816	1.1664

All results from a given calculation for AlCN (Aluminum monocyanide)

using model chemistry: CCSD(T)=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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