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	hartrees
Energy at 0K	-439.642110
Energy at 298.15K	-439.642261
Nuclear repulsion energy	86.987410

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	916	910	0.00
2	Σ_u	1341	1333	48.87
3	Π_u	269	267	45.41
3	Π_u	269	267	45.41

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.000
O2	0.000	0.000	1.557
O3	0.000	0.000	-1.557

	Si1	O2	O3
Si1		1.5573	1.5573
O2	1.5573		3.1147
O3	1.5573	3.1147

Number	Element	Mulliken
1	Si	0.574
2	O	-0.287
3	O	-0.287

All results from a given calculation for SiO₂ (silicon dioxide)

using model chemistry: PBEPBE/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>	53.494
(<r²>)^1/2	7.314

All results from a given calculation for SiO2 (silicon dioxide)

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

All results from a given calculation for SiO₂ (silicon dioxide)