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	hartrees
Energy at 0K	-151.152389
Energy at 298.15K
HF Energy	-150.740444
Nuclear repulsion energy	35.648675

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3785	3785	65.54
2	A'	1636	1636	86.42
3	A'	951	951	122.71
4	A'	749	749	93.34
5	A"	3880	3880	173.15
6	A"	960	960	0.07

Atom	x (Å)	y (Å)	z (Å)
O1	0.060	-0.655	0.000
O2	0.060	0.868	0.000
H3	-0.483	-0.853	0.775
H4	-0.483	-0.853	-0.775

	O1	O2	H3	H4
O1		1.5224	0.9676	0.9676
O2	1.5224		1.9640	1.9640
H3	0.9676	1.9640		1.5508
H4	0.9676	1.9640	1.5508

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	101.815		O2	O1	H4	101.815
H3	O1	H4	106.513

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

using model chemistry: MP3=FULL/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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