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	hartrees
Energy at 0K	-151.309711
Energy at 298.15K
HF Energy	-150.781645
Nuclear repulsion energy	35.627038

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3783	3783	68.86
2	A'	1645	1645	89.49
3	A'	902	902	98.73
4	A'	710	710	113.59
5	A"	3880	3880	176.82
6	A"	890	890	0.01

Atom	x (Å)	y (Å)	z (Å)
O1	0.060	-0.658	0.000
O2	0.060	0.870	0.000
H3	-0.482	-0.850	0.772
H4	-0.482	-0.850	-0.772

	O1	O2	H3	H4
O1		1.5274	0.9628	0.9628
O2	1.5274		1.9613	1.9613
H3	0.9628	1.9613		1.5448
H4	0.9628	1.9613	1.5448

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	101.506		O2	O1	H4	101.506
H3	O1	H4	106.688

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

using model chemistry: CCSD=FULL/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: CCSD=FULL/Def2TZVPP

States and conformations

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