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	hartrees
Energy at 0K	-335.015312
Energy at 298.15K
HF Energy	-335.015312
Nuclear repulsion energy	54.799655

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	2280	2182	89.79	72.87	0.11	0.19
2	Σ	478	457	147.66	18.06	0.72	0.84
3	Π	142	136	8.85	9.38	0.75	0.86
3	Π	142	136	8.85	9.38	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.319
C2	0.000	0.000	-0.693
N3	0.000	0.000	-1.856

	Al1	C2	N3
Al1		2.0114	3.1745
C2	2.0114		1.1631
N3	3.1745	1.1631

Number	Element	Mulliken
1	Al	0.180
2	C	0.021
3	N	-0.200

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

using model chemistry: PBE1PBE/6-31G(2df,p)

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>	65.225
(<r²>)^1/2	8.076