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	hartrees
Energy at 0K	-151.384234
Energy at 298.15K
HF Energy	-151.249259
Nuclear repulsion energy	35.343322

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'	3698	3557	62.34	83.84	0.05	0.09
2	A'	1591	1531	87.75	2.76	0.71	0.83
3	A'	915	881	100.90	4.22	0.31	0.48
4	A'	687	660	92.78	6.01	0.18	0.30
5	A"	3806	3660	181.44	23.72	0.75	0.86
6	A"	887	853	0.01	1.96	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.061	-0.665	0.000
O2	0.061	0.876	0.000
H3	-0.491	-0.844	0.779
H4	-0.491	-0.844	-0.779

	O1	O2	H3	H4
O1		1.5405	0.9716	0.9716
O2	1.5405		1.9670	1.9670
H3	0.9716	1.9670		1.5580
H4	0.9716	1.9670	1.5580

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	100.624		O2	O1	H4	100.624
H3	O1	H4	106.603

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

using model chemistry: B2PLYP=FULL/aug-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: B2PLYP=FULL/aug-cc-pVDZ

States and conformations

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