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	hartrees
Energy at 0K	-151.220875
Energy at 298.15K
HF Energy	-150.772856
Nuclear repulsion energy	35.194497

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3771	3573	72.63
2	A'	1595	1511	86.16
3	A'	883	837	120.28
4	A'	698	661	94.06
5	A"	3874	3671	151.11
6	A"	849	804	2.21

Atom	x (Å)	y (Å)	z (Å)
O1	0.059	-0.663	0.000
O2	0.059	0.885	0.000
H3	-0.473	-0.889	0.775
H4	-0.473	-0.889	-0.775

	O1	O2	H3	H4
O1		1.5480	0.9667	0.9667
O2	1.5480		2.0078	2.0078
H3	0.9667	2.0078		1.5495
H4	0.9667	2.0078	1.5495

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	103.533		O2	O1	H4	103.533
H3	O1	H4	106.531

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

using model chemistry: CCSD=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=FULL/TZVP

States and conformations

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