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	hartrees
Energy at 0K	-334.573810
Energy at 298.15K
HF Energy	-334.227008
Nuclear repulsion energy	53.937776

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2220	2220	81.52
2	Σ	461	461	145.30
3	Π	173	173	4.37
3	Π	173	173	4.37

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.341
C2	0.000	0.000	-0.707
N3	0.000	0.000	-1.885

	Al1	C2	N3
Al1		2.0480	3.2265
C2	2.0480		1.1785
N3	3.2265	1.1785

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

using model chemistry: CCSD=FULL/cc-pVDZ

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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