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	hartrees
Energy at 0K	-151.175950
Energy at 298.15K
HF Energy	-150.740074
Nuclear repulsion energy	34.830844

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3693	3587
2	A'	1609	1563
3	A'	889	863
4	A'	647	629
5	A"	3800	3690
6	A"	850	825

Atom	x (Å)	y (Å)	z (Å)
O1	0.063	-0.683	0.000
O2	0.063	0.892	0.000
H3	-0.504	-0.834	0.777
H4	-0.504	-0.834	-0.777

	O1	O2	H3	H4
O1		1.5749	0.9733	0.9733
O2	1.5749		1.9753	1.9753
H3	0.9733	1.9753		1.5536
H4	0.9733	1.9753	1.5536

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	98.903		O2	O1	H4	98.903
H3	O1	H4	105.898

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

using model chemistry: CCSD(T)=FULL/aug-cc-pVDZ

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: CCSD(T)=FULL/aug-cc-pVDZ

States and conformations

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