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	hartrees
Energy at 0K	-335.114898
Energy at 298.15K
HF Energy	-334.984662
Nuclear repulsion energy	54.538914

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	2170	2170	103.82	70.61	0.10	0.18
2	Σ	460	460	162.92	17.58	0.70	0.83
3	Π	148	148	6.49	8.73	0.75	0.86
3	Π	148	148	6.49	8.73	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.326
C2	0.000	0.000	-0.698
N3	0.000	0.000	-1.864

	Al1	C2	N3
Al1		2.0246	3.1907
C2	2.0246		1.1661
N3	3.1907	1.1661

Number	Element	Mulliken
1	Al	0.365
2	C	-0.313
3	N	-0.052

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

using model chemistry: B2PLYP/Def2TZVPP

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>	66.034
(<r²>)^1/2	8.126