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	hartrees
Energy at 0K	-151.172341
Energy at 298.15K
HF Energy	-150.739987
Nuclear repulsion energy	34.769668

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3689	3607
2	A'	1605	1570
3	A'	888	868
4	A'	638	624
5	A"	3795	3710
6	A"	854	835

Atom	x (Å)	y (Å)	z (Å)
O1	0.063	-0.685	0.000
O2	0.063	0.893	0.000
H3	-0.505	-0.833	0.777
H4	-0.505	-0.833	-0.777

	O1	O2	H3	H4
O1		1.5787	0.9739	0.9739
O2	1.5787		1.9766	1.9766
H3	0.9739	1.9766		1.5543
H4	0.9739	1.9766	1.5543

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	98.718		O2	O1	H4	98.718
H3	O1	H4	105.869

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

using model chemistry: QCISD(T)/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: QCISD(T)/aug-cc-pVDZ

States and conformations

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