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	hartrees
Energy at 0K	-150.908752
Energy at 298.15K
HF Energy	-150.670280
Nuclear repulsion energy	33.655684

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3662	3514	44.75
2	A'	1662	1595	103.37
3	A'	780	749	232.74
4	A'	644	618	119.45
5	A"	3808	3654	125.93
6	A"	824	790	9.26

Atom	x (Å)	y (Å)	z (Å)
O1	0.053	-0.701	0.000
O2	0.053	0.940	0.000
H3	-0.425	-0.957	0.810
H4	-0.425	-0.957	-0.810

	O1	O2	H3	H4
O1		1.6403	0.9751	0.9751
O2	1.6403		2.1171	2.1171
H3	0.9751	2.1171		1.6205
H4	0.9751	2.1171	1.6205

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	105.238		O2	O1	H4	105.238
H3	O1	H4	112.384

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

using model chemistry: CCD/6-31G

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/6-31G

States and conformations

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