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	hartrees
Energy at 0K	-335.248950
Energy at 298.15K
HF Energy	-335.248950
Nuclear repulsion energy	54.392838

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	2235	2143	93.02	71.63	0.13	0.23
2	Σ	472	452	144.85	21.62	0.73	0.84
3	Π	168	161	8.80	11.38	0.75	0.86
3	Π	168	161	8.80	11.38	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.328
C2	0.000	0.000	-0.697
N3	0.000	0.000	-1.870

	Al1	C2	N3
Al1		2.0248	3.1977
C2	2.0248		1.1729
N3	3.1977	1.1729

Number	Element	Mulliken
1	Al	0.339
2	C	0.009
3	N	-0.348

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>	66.030
(<r²>)^1/2	8.126