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	hartrees
Energy at 0K	-94.764623
Energy at 298.15K
HF Energy	-94.764623
Nuclear repulsion energy	26.851214

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	2200	2200	59.60	69.39	0.14	0.24
2	Σ	450	450	155.64	18.95	0.69	0.82
3	Π	211	211	3.27	15.03	0.75	0.86
3	Π	211	211	3.27	15.03	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.342
C2	0.000	0.000	-0.704
N3	0.000	0.000	-1.889

	Al1	C2	N3
Al1		2.0463	3.2312
C2	2.0463		1.1849
N3	3.2312	1.1849

Number	Element	Mulliken
1	Al	0.606
2	C	-0.598
3	N	-0.009

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

using model chemistry: wB97X-D/LANL2DZ

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>	48.489
(<r²>)^1/2	6.963