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	hartrees
Energy at 0K	-151.311346
Energy at 298.15K
HF Energy	-150.785572
Nuclear repulsion energy	36.369406

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3692	3506	64.77	87.87	0.05	0.09
2	A'	1604	1523	85.10	2.72	0.71	0.83
3	A'	988	939	63.27	8.13	0.28	0.44
4	A'	815	774	110.10	6.06	0.29	0.45
5	A"	3804	3613	203.03	22.31	0.75	0.86
6	A"	973	924	0.02	2.08	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.060	-0.635	0.000
O2	0.060	0.844	0.000
H3	-0.480	-0.838	0.778
H4	-0.480	-0.838	-0.778

	O1	O2	H3	H4
O1		1.4786	0.9689	0.9689
O2	1.4786		1.9303	1.9303
H3	0.9689	1.9303		1.5561
H4	0.9689	1.9303	1.5561

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	102.104		O2	O1	H4	102.104
H3	O1	H4	106.841

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

using model chemistry: MP2/aug-cc-pVQZ

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: MP2/aug-cc-pVQZ

States and conformations

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