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	hartrees
Energy at 0K	-151.354075
Energy at 298.15K
HF Energy	-151.229038
Nuclear repulsion energy	35.239966

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'	3727	3544	82.20	68.88	0.06	0.12
2	A'	1613	1534	116.33	2.34	0.71	0.83
3	A'	903	859	102.32	4.75	0.33	0.49
4	A'	695	661	108.14	7.93	0.27	0.42
5	A"	3850	3661	201.02	24.31	0.75	0.86
6	A"	874	831	1.38	4.98	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.060	-0.665	0.000
O2	0.060	0.881	0.000
H3	-0.476	-0.863	0.785
H4	-0.476	-0.863	-0.785

	O1	O2	H3	H4
O1		1.5452	0.9708	0.9708
O2	1.5452		1.9860	1.9860
H3	0.9708	1.9860		1.5698
H4	0.9708	1.9860	1.5698

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	101.816		O2	O1	H4	101.816
H3	O1	H4	107.895

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

using model chemistry: B2PLYP=FULL/6-31+G**

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/6-31+G**

States and conformations

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