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	hartrees
Energy at 0K	-17.523814
Energy at 298.15K
HF Energy	-17.523814
Nuclear repulsion energy	14.491390

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	Σ	2273	2273	42.62	70.27	0.16	0.28
2	Σ	453	453	156.69	15.24	0.65	0.79
3	Π	166	166	4.13	11.50	0.75	0.86
3	Π	166	166	4.13	11.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.346
C2	0.000	0.000	-0.709
N3	0.000	0.000	-1.891

	Al1	C2	N3
Al1		2.0542	3.2370
C2	2.0542		1.1828
N3	3.2370	1.1828

Number	Element	Mulliken
1	Al	0.320
2	C	-0.579
3	N	0.260

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

using model chemistry: wB97X-D/CEP-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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<r²>	40.093
(<r²>)^1/2	6.332