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	hartrees
Energy at 0K	-151.273053
Energy at 298.15K
HF Energy	-150.781650
Nuclear repulsion energy	35.449041

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3781	3781	69.12
2	A'	1639	1639	89.75
3	A'	886	886	95.65
4	A'	682	682	114.95
5	A"	3879	3879	176.32
6	A"	866	866	0.00

Atom	x (Å)	y (Å)	z (Å)
O1	0.061	-0.663	0.000
O2	0.061	0.875	0.000
H3	-0.485	-0.847	0.773
H4	-0.485	-0.847	-0.773

	O1	O2	H3	H4
O1		1.5385	0.9637	0.9637
O2	1.5385		1.9653	1.9653
H3	0.9637	1.9653		1.5456
H4	0.9637	1.9653	1.5456

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	101.014		O2	O1	H4	101.014
H3	O1	H4	106.628

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

using model chemistry: QCISD/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: QCISD/Def2TZVPP

States and conformations

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