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	hartrees
Energy at 0K	-331.140124
Energy at 298.15K
HF Energy	-331.140124
Nuclear repulsion energy	54.040041

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	2264	2264	123.19	22.24	0.28	0.44
2	Σ	539	539	125.21	9.81	0.32	0.49
3	Π	169	169	0.59	2.29	0.75	0.86
3	Π	169	169	0.59	2.29	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.328
C2	0.000	0.000	-0.681
N3	0.000	0.000	-1.883

	Al1	C2	N3
Al1		2.0095	3.2108
C2	2.0095		1.2013
N3	3.2108	1.2013

Number	Element	Mulliken
1	Al	0.526
2	C	-0.270
3	N	-0.256

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

using model chemistry: TPSSh/STO-3G

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>	62.898
(<r²>)^1/2	7.931