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	hartrees
Energy at 0K	-151.221733
Energy at 298.15K
HF Energy	-150.770761
Nuclear repulsion energy	36.073760

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3889	3584	79.29
2	A'	1666	1535	94.87
3	A'	949	875	127.31
4	A'	742	684	109.88
5	A"	3985	3673	197.71
6	A"	961	886	0.32

Atom	x (Å)	y (Å)	z (Å)
O1	0.058	-0.644	0.000
O2	0.058	0.858	0.000
H3	-0.466	-0.857	0.772
H4	-0.466	-0.857	-0.772

	O1	O2	H3	H4
O1		1.5017	0.9576	0.9576
O2	1.5017		1.9528	1.9528
H3	0.9576	1.9528		1.5445
H4	0.9576	1.9528	1.5445

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	102.886		O2	O1	H4	102.886
H3	O1	H4	107.501

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

using model chemistry: CISD/6-311+G(3df,2p)

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: CISD/6-311+G(3df,2p)

States and conformations

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