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	hartrees
Energy at 0K	-151.109283
Energy at 298.15K
HF Energy	-150.742745
Nuclear repulsion energy	35.540231

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3901	3610	59.34
2	A'	1766	1634	108.89
3	A'	948	877	169.43
4	A'	689	638	107.68
5	A"	4001	3702	151.33
6	A"	967	895	4.58

Atom	x (Å)	y (Å)	z (Å)
O1	0.056	-0.655	0.000
O2	0.056	0.877	0.000
H3	-0.449	-0.887	0.778
H4	-0.449	-0.887	-0.778

	O1	O2	H3	H4
O1		1.5328	0.9559	0.9559
O2	1.5328		1.9934	1.9934
H3	0.9559	1.9934		1.5561
H4	0.9559	1.9934	1.5561

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	104.028		O2	O1	H4	104.028
H3	O1	H4	108.964

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

using model chemistry: CISD/6-311G*

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/6-311G*

States and conformations

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