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	hartrees
Energy at 0K	-151.369437
Energy at 298.15K
HF Energy	-151.222681
Nuclear repulsion energy	35.417422

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'	3745	3745	67.58	51.54	0.09	0.17
2	A'	1622	1622	97.12	3.56	0.62	0.77
3	A'	887	887	84.25	4.83	0.41	0.59
4	A'	653	653	123.01	3.90	0.20	0.33
5	A"	3853	3853	172.61	22.53	0.75	0.86
6	A"	832	832	0.00	4.40	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.061	-0.665	0.000
O2	0.061	0.875	0.000
H3	-0.490	-0.838	0.775
H4	-0.490	-0.838	-0.775

	O1	O2	H3	H4
O1		1.5398	0.9666	0.9666
O2	1.5398		1.9590	1.9590
H3	0.9666	1.9590		1.5497
H4	0.9666	1.9590	1.5497

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	100.302		O2	O1	H4	100.302
H3	O1	H4	106.577

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

using model chemistry: B2PLYP=FULLultrafine/6-31G(2df,p)

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=FULLultrafine/6-31G(2df,p)

States and conformations

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