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	hartrees
Energy at 0K	-151.141367
Energy at 298.15K
HF Energy	-150.740166
Nuclear repulsion energy	35.901982

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3661	3661	64.53	88.45	0.05	0.09
2	A'	1602	1602	83.30	2.41	0.73	0.85
3	A'	973	973	74.66	6.72	0.29	0.45
4	A'	787	787	95.78	9.87	0.32	0.48
5	A"	3782	3782	187.79	22.53	0.75	0.86
6	A"	966	966	0.03	2.08	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.062	-0.647	0.000
O2	0.062	0.857	0.000
H3	-0.493	-0.839	0.778
H4	-0.493	-0.839	-0.778

	O1	O2	H3	H4
O1		1.5034	0.9749	0.9749
O2	1.5034		1.9464	1.9464
H3	0.9749	1.9464		1.5564
H4	0.9749	1.9464	1.5564

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	101.365		O2	O1	H4	101.365
H3	O1	H4	105.928

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

using model chemistry: MP2/daug-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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All results from a given calculation for H2OO (water oxide)

using model chemistry: MP2/daug-cc-pVDZ

States and conformations

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