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	hartrees
Energy at 0K	-148.734718
Energy at 298.15K
HF Energy	-148.666651
Nuclear repulsion energy	34.214717

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3757	3340	10.57	55.23	0.11	0.20
2	A'	1954	1737	12.00	11.97	0.69	0.81
3	A'	881	783	57.97	5.66	0.69	0.82
4	A'	802	713	120.22	0.76	0.45	0.62
5	A"	4013	3567	2.19	31.11	0.75	0.86
6	A"	925	822	4.91	12.67	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.066	-0.668	0.000
O2	0.066	0.906	0.000
H3	-0.526	-0.949	0.779
H4	-0.526	-0.949	-0.779

	O1	O2	H3	H4
O1		1.5742	1.0172	1.0172
O2	1.5742		2.0970	2.0970
H3	1.0172	2.0970		1.5572
H4	1.0172	2.0970	1.5572

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	106.033		O2	O1	H4	106.033
H3	O1	H4	99.884

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

using model chemistry: MP2=FULL/STO-3G

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: MP2=FULL/STO-3G

States and conformations

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