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	hartrees
Energy at 0K	-151.249355
Energy at 298.15K
HF Energy	-150.768933
Nuclear repulsion energy	36.377912

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'	3707	3497	74.09	69.59	0.06	0.10
2	A'	1602	1511	88.83	2.55	0.72	0.84
3	A'	998	941	68.53	8.69	0.27	0.42
4	A'	811	765	113.33	8.05	0.28	0.43
5	A"	3822	3606	203.75	21.74	0.75	0.86
6	A"	971	916	0.04	2.58	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.060	-0.634	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		1.4778	0.9693	0.9693
O2	1.4778		1.9305	1.9305
H3	0.9693	1.9305		1.5570
H4	0.9693	1.9305	1.5570

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	102.161		O2	O1	H4	102.161
H3	O1	H4	106.865

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

using model chemistry: MP2/6-311+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: MP2/6-311+G(3df,2p)

States and conformations

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