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	hartrees
Energy at 0K	-150.115879
Energy at 298.15K
HF Energy	-149.895897
Nuclear repulsion energy	33.820500

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3578	3368	31.30
2	A'	1697	1597	91.13
3	A'	801	754	66.51
4	A'	703	662	251.47
5	A"	3703	3486	85.92
6	A"	783	737	3.16

Atom	x (Å)	y (Å)	z (Å)
O1	0.060	-0.702	0.000
O2	0.060	0.926	0.000
H3	-0.477	-0.898	0.803
H4	-0.477	-0.898	-0.803

	O1	O2	H3	H4
O1		1.6284	0.9855	0.9855
O2	1.6284		2.0643	2.0643
H3	0.9855	2.0643		1.6066
H4	0.9855	2.0643	1.6066

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	101.475		O2	O1	H4	101.475
H3	O1	H4	109.204

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

using model chemistry: CISD/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: CISD/3-21G

States and conformations

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