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	hartrees
Energy at 0K	-151.227943
Energy at 298.15K
HF Energy	-150.781859
Nuclear repulsion energy	36.017333

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3895	3895	78.86
2	A'	1675	1675	92.30
3	A'	928	928	129.75
4	A'	752	752	111.21
5	A"	3989	3989	196.73
6	A"	954	954	0.38

Atom	x (Å)	y (Å)	z (Å)
O1	0.058	-0.645	0.000
O2	0.058	0.860	0.000
H3	-0.465	-0.862	0.771
H4	-0.465	-0.862	-0.771

	O1	O2	H3	H4
O1		1.5054	0.9565	0.9565
O2	1.5054		1.9580	1.9580
H3	0.9565	1.9580		1.5414
H4	0.9565	1.9580	1.5414

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	103.105		O2	O1	H4	103.105
H3	O1	H4	107.373

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

using model chemistry: CID/Def2TZVPP

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: CID/Def2TZVPP

States and conformations

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