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	hartrees
Energy at 0K	-335.213496
Energy at 298.15K
HF Energy	-335.213496
Nuclear repulsion energy	54.199758

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	2317	2317	70.39	61.75	0.12	0.22
2	Σ	450	450	158.56	17.18	0.70	0.82
3	Π	150	150	4.10	8.21	0.75	0.86
3	Π	150	150	4.10	8.21	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.339
C2	0.000	0.000	-0.712
N3	0.000	0.000	-1.876

	Al1	C2	N3
Al1		2.0508	3.2148
C2	2.0508		1.1640
N3	3.2148	1.1640

Number	Element	Mulliken
1	Al	0.348
2	C	-0.262
3	N	-0.086

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

using model chemistry: M06-2X/cc-pVDZ

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>	66.465
(<r²>)^1/2	8.153