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	hartrees
Energy at 0K	-32.547469
Energy at 298.15K
HF Energy	-32.349562
Nuclear repulsion energy	21.717432

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'	3652	3529	50.61	98.11	0.11	0.20
2	A'	1611	1557	81.84	11.52	0.63	0.77
3	A'	806	779	153.80	4.81	0.75	0.86
4	A'	723	698	176.43	13.85	0.16	0.28
5	A"	3828	3699	150.94	40.97	0.75	0.86
6	A"	884	854	14.09	12.69	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.051	-0.676	0.000
O2	0.051	0.919	0.000
H3	-0.407	-0.970	0.822
H4	-0.407	-0.970	-0.822

	O1	O2	H3	H4
O1		1.5951	0.9856	0.9856
O2	1.5951		2.1101	2.1101
H3	0.9856	2.1101		1.6435
H4	0.9856	2.1101	1.6435

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	107.338		O2	O1	H4	107.338
H3	O1	H4	112.974

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

using model chemistry: MP2/CEP-31G

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/CEP-31G

States and conformations

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