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	hartrees
Energy at 0K	-150.935761
Energy at 298.15K
HF Energy	-150.714276
Nuclear repulsion energy	34.091773

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'	3622	3489	57.91	86.55	0.12	0.21
2	A'	1617	1558	100.69	9.43	0.64	0.78
3	A'	815	785	155.82	3.96	0.72	0.84
4	A'	723	696	166.94	15.28	0.19	0.32
5	A"	3798	3658	156.63	38.38	0.75	0.86
6	A"	875	843	11.92	10.13	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.052	-0.683	0.000
O2	0.052	0.921	0.000
H3	-0.419	-0.950	0.820
H4	-0.419	-0.950	-0.820

	O1	O2	H3	H4
O1		1.6037	0.9831	0.9831
O2	1.6037		2.0965	2.0965
H3	0.9831	2.0965		1.6407
H4	0.9831	2.0965	1.6407

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	105.768		O2	O1	H4	105.768
H3	O1	H4	113.119

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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