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	hartrees
Energy at 0K	-151.118013
Energy at 298.15K
HF Energy	-150.721456
Nuclear repulsion energy	34.796992

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3758	3627
2	A'	1644	1587
3	A'	831	802
4	A'	644	622
5	A"	3865	3730
6	A"	807	779

Atom	x (Å)	y (Å)	z (Å)
O1	0.064	-0.684	0.000
O2	0.064	0.894	0.000
H3	-0.511	-0.837	0.768
H4	-0.511	-0.837	-0.768

	O1	O2	H3	H4
O1		1.5782	0.9715	0.9715
O2	1.5782		1.9792	1.9792
H3	0.9715	1.9792		1.5356
H4	0.9715	1.9792	1.5356

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	99.059		O2	O1	H4	99.059
H3	O1	H4	104.428

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

using model chemistry: MP4=FULL/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: MP4=FULL/cc-pVDZ

States and conformations

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