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	hartrees
Energy at 0K	-151.275130
Energy at 298.15K
HF Energy	-150.777223
Nuclear repulsion energy	35.913806

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3768	3606	64.25
2	A'	1644	1574	86.69
3	A'	937	897	114.33
4	A'	765	732	100.78
5	A"	3865	3699	178.33
6	A"	958	917	0.04

Atom	x (Å)	y (Å)	z (Å)
O1	0.059	-0.646	0.000
O2	0.059	0.860	0.000
H3	-0.475	-0.858	0.776
H4	-0.475	-0.858	-0.776

	O1	O2	H3	H4
O1		1.5065	0.9654	0.9654
O2	1.5065		1.9594	1.9594
H3	0.9654	1.9594		1.5514
H4	0.9654	1.9594	1.5514

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	102.664		O2	O1	H4	102.664
H3	O1	H4	106.937

All results from a given calculation for H₂OO (water oxide)

using model chemistry: CCD/aug-cc-pVTZ

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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All results from a given calculation for H2OO (water oxide)

using model chemistry: CCD/aug-cc-pVTZ

States and conformations

All results from a given calculation for H₂OO (water oxide)