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	hartrees
Energy at 0K	-32.715467
Energy at 298.15K
HF Energy	-32.376881
Nuclear repulsion energy	22.540817

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'	3657	3472	69.26	70.43	0.10	0.18
2	A'	1665	1581	83.36	8.90	0.58	0.73
3	A'	976	927	99.04	7.34	0.61	0.76
4	A'	811	770	92.50	12.86	0.24	0.39
5	A"	3794	3602	164.46	34.67	0.75	0.86
6	A"	975	925	2.85	9.43	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.061	-0.651	0.000
O2	0.061	0.867	0.000
H3	-0.487	-0.867	0.788
H4	-0.487	-0.867	-0.788

	O1	O2	H3	H4
O1		1.5181	0.9841	0.9841
O2	1.5181		1.9823	1.9823
H3	0.9841	1.9823		1.5762
H4	0.9841	1.9823	1.5762

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	102.690		O2	O1	H4	102.690
H3	O1	H4	106.412

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

using model chemistry: MP2/CEP-31G*

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/CEP-31G*

States and conformations

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