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	hartrees
Energy at 0K	-151.262842
Energy at 298.15K
HF Energy	-150.770469
Nuclear repulsion energy	35.737317

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3782	3567	70.93
2	A'	1634	1541	91.49
3	A'	931	878	108.34
4	A'	709	669	104.08
5	A"	3883	3662	178.90
6	A"	916	864	0.05

Atom	x (Å)	y (Å)	z (Å)
O1	0.060	-0.653	0.000
O2	0.060	0.866	0.000
H3	-0.479	-0.850	0.775
H4	-0.479	-0.850	-0.775

	O1	O2	H3	H4
O1		1.5192	0.9644	0.9644
O2	1.5192		1.9587	1.9587
H3	0.9644	1.9587		1.5496
H4	0.9644	1.9587	1.5496

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	101.788		O2	O1	H4	101.788
H3	O1	H4	106.921

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

using model chemistry: CCSD/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

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