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	hartrees
Energy at 0K	-334.954786
Energy at 298.15K
HF Energy	-334.954786
Nuclear repulsion energy	53.439357

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	2110	2081	88.05	73.02	0.12	0.21
2	Σ	443	437	137.56	28.10	0.72	0.83
3	Π	173	171	4.87	9.93	0.75	0.86
3	Π	173	171	4.87	9.93	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.352
C2	0.000	0.000	-0.709
N3	0.000	0.000	-1.903

	Al1	C2	N3
Al1		2.0606	3.2547
C2	2.0606		1.1941
N3	3.2547	1.1941

Number	Element	Mulliken
1	Al	0.461
2	C	-0.154
3	N	-0.307

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

using model chemistry: PBEPBE/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>	67.961
(<r²>)^1/2	8.244