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	hartrees
Energy at 0K	-150.113202
Energy at 298.15K
HF Energy	-149.894778
Nuclear repulsion energy	34.086628

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'	3509	3349	41.81	77.47	0.14	0.25
2	A'	1671	1595	91.54	11.25	0.56	0.72
3	A'	847	809	27.32	6.20	0.51	0.68
4	A'	727	694	260.65	6.11	0.21	0.35
5	A"	3653	3487	101.68	39.56	0.75	0.86
6	A"	811	774	2.42	11.24	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.061	-0.694	0.000
O2	0.061	0.914	0.000
H3	-0.484	-0.879	0.806
H4	-0.484	-0.879	-0.806

	O1	O2	H3	H4
O1		1.6083	0.9903	0.9903
O2	1.6083		2.0397	2.0397
H3	0.9903	2.0397		1.6122
H4	0.9903	2.0397	1.6122

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	100.726		O2	O1	H4	100.726
H3	O1	H4	108.968

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

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

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