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	hartrees
Energy at 0K	-151.271601
Energy at 298.15K
HF Energy	-150.781649
Nuclear repulsion energy	35.562422

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3785	3785	68.75
2	A'	1642	1642	89.11
3	A'	897	897	97.91
4	A'	706	706	113.98
5	A"	3882	3882	175.81
6	A"	884	884	0.01

Atom	x (Å)	y (Å)	z (Å)
O1	0.060	-0.659	0.000
O2	0.060	0.872	0.000
H3	-0.482	-0.850	0.773
H4	-0.482	-0.850	-0.773

	O1	O2	H3	H4
O1		1.5310	0.9634	0.9634
O2	1.5310		1.9640	1.9640
H3	0.9634	1.9640		1.5456
H4	0.9634	1.9640	1.5456

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	101.439		O2	O1	H4	101.439
H3	O1	H4	106.663

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

using model chemistry: CCSD/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/Def2TZVPP

States and conformations

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