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	hartrees
Energy at 0K	-335.263564
Energy at 298.15K
HF Energy	-335.263564
Nuclear repulsion energy	58.476740

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	2137	2137	467.90	87.14	0.09	0.17
2	Σ	546	546	195.10	14.34	0.71	0.83
3	Π	106	106	2.99	6.64	0.75	0.86
3	Π	106	106	2.99	6.64	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.199
N2	0.000	0.000	-0.657
C3	0.000	0.000	-1.832

	Al1	N2	C3
Al1		1.8565	3.0311
N2	1.8565		1.1747
C3	3.0311	1.1747

Number	Element	Mulliken
1	Al	0.219
2	N	-0.120
3	C	-0.098

All results from a given calculation for AlNC (Aluminum isocyanide)

using model chemistry: wB97X-D/aug-cc-pCVTZ

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>	57.707
(<r²>)^1/2	7.597