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	hartrees
Energy at 0K	-151.422231
Energy at 298.15K
HF Energy	-151.280310
Nuclear repulsion energy	35.175269

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'	3717	3717	76.97	61.36	0.08	0.14
2	A'	1577	1577	96.63	4.79	0.71	0.83
3	A'	874	874	92.22	5.56	0.49	0.65
4	A'	686	686	104.55	6.06	0.19	0.32
5	A"	3825	3825	176.00	24.51	0.75	0.86
6	A"	835	835	1.55	6.21	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.059	-0.665	0.000
O2	0.059	0.884	0.000
H3	-0.474	-0.878	0.780
H4	-0.474	-0.878	-0.780

	O1	O2	H3	H4
O1		1.5492	0.9686	0.9686
O2	1.5492		2.0000	2.0000
H3	0.9686	2.0000		1.5596
H4	0.9686	2.0000	1.5596

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	102.743		O2	O1	H4	102.743
H3	O1	H4	107.233

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

using model chemistry: B2PLYP=FULLultrafine/TZVP

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/TZVP

States and conformations

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