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	hartrees
Energy at 0K	-335.239093
Energy at 298.15K
HF Energy	-335.239093
Nuclear repulsion energy	54.505789

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	2323	2198	72.97	69.48	0.13	0.22
2	Σ	455	431	174.87	16.95	0.71	0.83
3	Π	171	162	4.36	10.34	0.75	0.86
3	Π	171	162	4.36	10.34	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.333
C2	0.000	0.000	-0.711
N3	0.000	0.000	-1.865

	Al1	C2	N3
Al1		2.0437	3.1981
C2	2.0437		1.1545
N3	3.1981	1.1545

Number	Element	Mulliken
1	Al	0.399
2	C	-0.311
3	N	-0.088

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

using model chemistry: M06-2X/TZVP

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>	66.183
(<r²>)^1/2	8.135