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	hartrees
Energy at 0K	-151.239838
Energy at 298.15K
HF Energy	-150.777982
Nuclear repulsion energy	35.966532

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3863	3863	70.79
2	A'	1666	1666	91.86
3	A'	935	935	124.86
4	A'	753	753	103.41
5	A"	3956	3956	194.02
6	A"	959	959	0.10

Atom	x (Å)	y (Å)	z (Å)
O1	0.058	-0.646	0.000
O2	0.058	0.861	0.000
H3	-0.467	-0.860	0.773
H4	-0.467	-0.860	-0.773

	O1	O2	H3	H4
O1		1.5070	0.9591	0.9591
O2	1.5070		1.9588	1.9588
H3	0.9591	1.9588		1.5460
H4	0.9591	1.9588	1.5460

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	102.912		O2	O1	H4	102.912
H3	O1	H4	107.398

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

using model chemistry: CISD/daug-cc-pVTZ

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/daug-cc-pVTZ

States and conformations

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