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	hartrees
Energy at 0K	-151.173163
Energy at 298.15K
HF Energy	-150.719887
Nuclear repulsion energy	35.675346

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3808	3607	72.38
2	A'	1666	1578	95.72
3	A'	919	870	127.81
4	A'	702	665	104.67
5	A"	3913	3706	167.42
6	A"	923	874	0.22

Atom	x (Å)	y (Å)	z (Å)
O1	0.060	-0.655	0.000
O2	0.060	0.868	0.000
H3	-0.482	-0.852	0.772
H4	-0.482	-0.852	-0.772

	O1	O2	H3	H4
O1		1.5234	0.9637	0.9637
O2	1.5234		1.9621	1.9621
H3	0.9637	1.9621		1.5433
H4	0.9637	1.9621	1.5433

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	101.801		O2	O1	H4	101.801
H3	O1	H4	106.399

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

using model chemistry: CCD/6-31G(2df,p)

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: CCD/6-31G(2df,p)

States and conformations

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