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	hartrees
Energy at 0K	-151.343604
Energy at 298.15K
HF Energy	-151.221940
Nuclear repulsion energy	34.998334

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'	3732	3577	83.84	49.22	0.10	0.18
2	A'	1623	1556	84.79	5.30	0.68	0.81
3	A'	833	799	66.61	4.39	0.60	0.75
4	A'	631	605	135.15	5.63	0.15	0.26
5	A"	3838	3679	183.27	22.25	0.75	0.86
6	A"	796	763	0.01	4.61	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.063	-0.676	0.000
O2	0.063	0.887	0.000
H3	-0.503	-0.844	0.772
H4	-0.503	-0.844	-0.772

	O1	O2	H3	H4
O1		1.5639	0.9711	0.9711
O2	1.5639		1.9780	1.9780
H3	0.9711	1.9780		1.5430
H4	0.9711	1.9780	1.5430

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	99.928		O2	O1	H4	99.928
H3	O1	H4	105.214

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

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

States and conformations

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