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	hartrees
Energy at 0K	-334.561858
Energy at 298.15K
HF Energy	-334.206153
Nuclear repulsion energy	54.450896

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2249	2136	83.57
2	Σ	480	456	144.07
3	Π	190	180	6.79
3	Π	190	180	6.79

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.326
C2	0.000	0.000	-0.694
N3	0.000	0.000	-1.868

	Al1	C2	N3
Al1		2.0197	3.1935
C2	2.0197		1.1737
N3	3.1935	1.1737

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

using model chemistry: CCSD=FULL/6-31G*

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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