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	hartrees
Energy at 0K	-333.373590
Energy at 298.15K
HF Energy	-333.373590
Nuclear repulsion energy	54.720441

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2237	2147	99.54
2	Σ	501	481	134.25
3	Π	299	287	6.87
3	Π	299	287	6.87

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.317
C2	0.000	0.000	-0.685
N3	0.000	0.000	-1.859

	Al1	C2	N3
Al1		2.0017	3.1755
C2	2.0017		1.1738
N3	3.1755	1.1738

Number	Element	Mulliken
1	Al	0.405
2	C	0.014
3	N	-0.419

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

using model chemistry: B3PW91/3-21G*

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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<r²>	65.378
(<r²>)^1/2	8.086