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	hartrees
Energy at 0K	-151.257177
Energy at 298.15K
HF Energy	-150.780096
Nuclear repulsion energy	36.189145

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'	3714	3534	72.36	59.28	0.07	0.13
2	A'	1610	1532	87.40	4.01	0.65	0.79
3	A'	966	919	55.11	8.69	0.36	0.52
4	A'	796	757	123.30	8.01	0.20	0.34
5	A"	3825	3640	199.38	21.09	0.75	0.86
6	A"	938	893	0.00	3.58	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.061	-0.641	0.000
O2	0.061	0.850	0.000
H3	-0.485	-0.836	0.776
H4	-0.485	-0.836	-0.776

	O1	O2	H3	H4
O1		1.4902	0.9683	0.9683
O2	1.4902		1.9339	1.9339
H3	0.9683	1.9339		1.5521
H4	0.9683	1.9339	1.5521

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	101.623		O2	O1	H4	101.623
H3	O1	H4	106.537

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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