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	hartrees
Energy at 0K	-335.212564
Energy at 298.15K
HF Energy	-335.212564
Nuclear repulsion energy	53.781499

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	2169	2087	80.17	70.46	0.12	0.22
2	Σ	456	438	147.25	25.02	0.73	0.84
3	Π	190	183	5.52	12.69	0.75	0.86
3	Π	190	183	5.52	12.69	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.344
C2	0.000	0.000	-0.705
N3	0.000	0.000	-1.891

	Al1	C2	N3
Al1		2.0485	3.2343
C2	2.0485		1.1858
N3	3.2343	1.1858

Number	Element	Mulliken
1	Al	0.513
2	C	-0.182
3	N	-0.332

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

using model chemistry: TPSSh/6-31G

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>	67.420
(<r²>)^1/2	8.211