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	hartrees
Energy at 0K	-151.303494
Energy at 298.15K
HF Energy	-150.781421
Nuclear repulsion energy	36.047871

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3830	3830	72.70
2	A'	1656	1656	89.62
3	A'	939	939	104.02
4	A'	782	782	112.23
5	A"	3917	3917	186.08
6	A"	948	948	0.15

Atom	x (Å)	y (Å)	z (Å)
O1	0.059	-0.644	0.000
O2	0.059	0.858	0.000
H3	-0.473	-0.853	0.772
H4	-0.473	-0.853	-0.772

	O1	O2	H3	H4
O1		1.5021	0.9602	0.9602
O2	1.5021		1.9507	1.9507
H3	0.9602	1.9507		1.5439
H4	0.9602	1.9507	1.5439

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	102.550		O2	O1	H4	102.550
H3	O1	H4	107.014

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

using model chemistry: MP3=FULL/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: MP3=FULL/Def2TZVPP

States and conformations

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