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	hartrees
Energy at 0K	-335.254997
Energy at 298.15K
HF Energy	-335.254997
Nuclear repulsion energy	54.206767

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	2225	2141	85.85	81.45	0.12	0.21
2	Σ	458	441	162.45	21.86	0.71	0.83
3	Π	155	149	5.59	12.34	0.75	0.86
3	Π	155	149	5.59	12.34	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.334
C2	0.000	0.000	-0.702
N3	0.000	0.000	-1.876

	Al1	C2	N3
Al1		2.0366	3.2102
C2	2.0366		1.1735
N3	3.2102	1.1735

Number	Element	Mulliken
1	Al	0.263
2	C	-0.020
3	N	-0.243

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

using model chemistry: TPSSh/6-31+G**

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>	66.650
(<r²>)^1/2	8.164