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	hartrees
Energy at 0K	-151.269767
Energy at 298.15K
HF Energy	-150.776022
Nuclear repulsion energy	36.246191

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'	3678	3678	63.35	91.82	0.04	0.09
2	A'	1601	1601	84.58	2.65	0.72	0.84
3	A'	985	985	60.41	8.41	0.29	0.45
4	A'	815	815	110.83	6.20	0.33	0.50
5	A"	3789	3789	198.87	22.29	0.75	0.86
6	A"	965	965	0.03	2.26	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.061	-0.637	0.000
O2	0.061	0.847	0.000
H3	-0.484	-0.838	0.779
H4	-0.484	-0.838	-0.779

	O1	O2	H3	H4
O1		1.4844	0.9715	0.9715
O2	1.4844		1.9346	1.9346
H3	0.9715	1.9346		1.5582
H4	0.9715	1.9346	1.5582

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	101.907		O2	O1	H4	101.907
H3	O1	H4	106.633

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

using model chemistry: MP2/daug-cc-pVTZ

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-pVTZ

States and conformations

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