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	hartrees
Energy at 0K	-335.248163
Energy at 298.15K
HF Energy	-335.248163
Nuclear repulsion energy	54.816332

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	2287	2185	77.99	72.77	0.10	0.18
2	Σ	455	435	170.31	17.26	0.73	0.84
3	Π	157	150	7.32	9.86	0.75	0.86
3	Π	157	150	7.32	9.86	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.322
C2	0.000	0.000	-0.700
N3	0.000	0.000	-1.855

	Al1	C2	N3
Al1		2.0222	3.1769
C2	2.0222		1.1547
N3	3.1769	1.1547

Number	Element	Mulliken
1	Al	0.364
2	C	-0.322
3	N	-0.041

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

using model chemistry: wB97X-D/Def2TZVPP

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>	65.563
(<r²>)^1/2	8.097