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	hartrees
Energy at 0K	-151.050624
Energy at 298.15K
HF Energy	-150.696819
Nuclear repulsion energy	35.648129

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'	3647	3437	83.10	58.38	0.11	0.20
2	A'	1677	1580	105.82	5.64	0.58	0.74
3	A'	975	918	97.23	6.14	0.50	0.67
4	A'	777	732	116.86	9.60	0.25	0.41
5	A"	3777	3559	181.14	29.48	0.75	0.86
6	A"	952	897	0.76	6.63	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.062	-0.653	0.000
O2	0.062	0.863	0.000
H3	-0.493	-0.841	0.784
H4	-0.493	-0.841	-0.784

	O1	O2	H3	H4
O1		1.5167	0.9785	0.9785
O2	1.5167		1.9560	1.9560
H3	0.9785	1.9560		1.5676
H4	0.9785	1.9560	1.5676

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	101.031		O2	O1	H4	101.031
H3	O1	H4	106.449

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

using model chemistry: MP2=FULL/6-31G*

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=FULL/6-31G*

States and conformations

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