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	hartrees
Energy at 0K	-335.209193
Energy at 298.15K
HF Energy	-335.209193
Nuclear repulsion energy	54.535205

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	2291	2180	86.01	69.29	0.13	0.22
2	Σ	471	448	153.38	19.83	0.73	0.85
3	Π	174	165	8.33	10.74	0.75	0.86
3	Π	174	165	8.33	10.74	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.326
C2	0.000	0.000	-0.698
N3	0.000	0.000	-1.865

	Al1	C2	N3
Al1		2.0248	3.1909
C2	2.0248		1.1662
N3	3.1909	1.1662

Number	Element	Mulliken
1	Al	0.340
2	C	0.004
3	N	-0.344

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

using model chemistry: mPW1PW91/6-31G**

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>	65.771
(<r²>)^1/2	8.110