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	hartrees
Energy at 0K	-151.234087
Energy at 298.15K
HF Energy	-150.772653
Nuclear repulsion energy	34.998741

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3731	3567
2	A'	1575	1506
3	A'	865	827
4	A'	682	652
5	A"	3837	3668
6	A"	806	770

Atom	x (Å)	y (Å)	z (Å)
O1	0.060	-0.670	0.000
O2	0.060	0.890	0.000
H3	-0.481	-0.882	0.776
H4	-0.481	-0.882	-0.776

	O1	O2	H3	H4
O1		1.5601	0.9693	0.9693
O2	1.5601		2.0090	2.0090
H3	0.9693	2.0090		1.5514
H4	0.9693	2.0090	1.5514

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	102.652		O2	O1	H4	102.652
H3	O1	H4	106.304

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

using model chemistry: CCSD(T)=FULL/TZVP

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/TZVP

States and conformations

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