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	hartrees
Energy at 0K	-17.492278
Energy at 298.15K
HF Energy	-17.492278
Nuclear repulsion energy	14.447636

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	2162	2162	61.32	83.86	0.11	0.20
2	Σ	427	427	178.27	22.35	0.75	0.86
3	Π	205	205	2.96	11.98	0.75	0.86
3	Π	205	205	2.96	11.98	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.350
C2	0.000	0.000	-0.711
N3	0.000	0.000	-1.898

	Al1	C2	N3
Al1		2.0616	3.2477
C2	2.0616		1.1861
N3	3.2477	1.1861

Number	Element	Mulliken
1	Al	0.553
2	C	-0.703
3	N	0.150

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

using model chemistry: wB97X-D/CEP-121G

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>	40.539
(<r²>)^1/2	6.367