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	hartrees
Energy at 0K	-335.232858
Energy at 298.15K
HF Energy	-335.232858
Nuclear repulsion energy	54.706731

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	2285	2285	77.07	62.65	0.12	0.22
2	Σ	460	460	164.28	18.10	0.74	0.85
3	Π	162	162	6.13	11.40	0.75	0.86
3	Π	162	162	6.13	11.40	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.324
C2	0.000	0.000	-0.701
N3	0.000	0.000	-1.859

	Al1	C2	N3
Al1		2.0249	3.1829
C2	2.0249		1.1580
N3	3.1829	1.1580

Number	Element	Mulliken
1	Al	0.481
2	C	-0.282
3	N	-0.200

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

using model chemistry: wB97X-D/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>	65.701
(<r²>)^1/2	8.106