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	hartrees
Energy at 0K	-151.258611
Energy at 298.15K
HF Energy	-150.772772
Nuclear repulsion energy	35.797281

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3803	3551	69.37
2	A'	1652	1542	87.14
3	A'	912	852	109.25
4	A'	744	695	113.53
5	A"	3900	3641	177.65
6	A"	921	860	0.07

Atom	x (Å)	y (Å)	z (Å)
O1	0.060	-0.651	0.000
O2	0.060	0.865	0.000
H3	-0.478	-0.855	0.772
H4	-0.478	-0.855	-0.772

	O1	O2	H3	H4
O1		1.5157	0.9630	0.9630
O2	1.5157		1.9605	1.9605
H3	0.9630	1.9605		1.5447
H4	0.9630	1.9605	1.5447

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	102.237		O2	O1	H4	102.237
H3	O1	H4	106.637

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

using model chemistry: CCD/cc-pVTZ

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/cc-pVTZ

States and conformations

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