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	hartrees
Energy at 0K	-151.257495
Energy at 298.15K
HF Energy	-150.772680
Nuclear repulsion energy	35.960215

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3835	3623	71.30
2	A'	1655	1563	88.27
3	A'	928	876	100.69
4	A'	776	733	115.36
5	A"	3923	3706	184.93
6	A"	934	883	0.07

Atom	x (Å)	y (Å)	z (Å)
O1	0.059	-0.647	0.000
O2	0.059	0.860	0.000
H3	-0.475	-0.854	0.772
H4	-0.475	-0.854	-0.772

	O1	O2	H3	H4
O1		1.5068	0.9613	0.9613
O2	1.5068		1.9542	1.9542
H3	0.9613	1.9542		1.5438
H4	0.9613	1.9542	1.5438

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	102.446		O2	O1	H4	102.446
H3	O1	H4	106.833

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

using model chemistry: MP3/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: MP3/cc-pVTZ

States and conformations

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