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	hartrees
Energy at 0K	-335.049333
Energy at 298.15K
HF Energy	-335.049333
Nuclear repulsion energy	54.624685

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	2274	2180	85.98	68.56	0.13	0.22
2	Σ	464	445	157.55	18.93	0.73	0.85
3	Π	145	139	6.26	11.36	0.75	0.86
3	Π	145	139	6.26	11.36	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.326
C2	0.000	0.000	-0.701
N3	0.000	0.000	-1.861

	Al1	C2	N3
Al1		2.0271	3.1874
C2	2.0271		1.1603
N3	3.1874	1.1603

Number	Element	Mulliken
1	Al	0.478
2	C	-0.257
3	N	-0.222

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

using model chemistry: PBE1PBE/6-311G*

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>	65.807
(<r²>)^1/2	8.112