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	hartrees
Energy at 0K	-150.125419
Energy at 298.15K
HF Energy	-149.895615
Nuclear repulsion energy	33.820027

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3524	3371	25.97
2	A'	1691	1618	84.32
3	A'	797	762	92.92
4	A'	713	682	222.58
5	A"	3654	3495	69.31
6	A"	799	765	3.32

Atom	x (Å)	y (Å)	z (Å)
O1	0.060	-0.700	0.000
O2	0.060	0.925	0.000
H3	-0.479	-0.902	0.804
H4	-0.479	-0.902	-0.804

	O1	O2	H3	H4
O1		1.6254	0.9890	0.9890
O2	1.6254		2.0682	2.0682
H3	0.9890	2.0682		1.6083
H4	0.9890	2.0682	1.6083

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	101.796		O2	O1	H4	101.796
H3	O1	H4	108.795

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

using model chemistry: CCD/3-21G*

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: CCD/3-21G*

States and conformations

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