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	hartrees
Energy at 0K	-150.897010
Energy at 298.15K
HF Energy	-150.668882
Nuclear repulsion energy	34.027420

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'	3623	3467	62.15	80.67	0.12	0.22
2	A'	1638	1567	108.80	9.42	0.61	0.76
3	A'	822	787	145.10	3.31	0.75	0.85
4	A'	703	672	168.44	12.75	0.19	0.31
5	A"	3784	3621	160.41	36.25	0.75	0.86
6	A"	852	816	7.27	9.49	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.054	-0.691	0.000
O2	0.054	0.924	0.000
H3	-0.432	-0.931	0.814
H4	-0.432	-0.931	-0.814

	O1	O2	H3	H4
O1		1.6144	0.9778	0.9778
O2	1.6144		2.0830	2.0830
H3	0.9778	2.0830		1.6273
H4	0.9778	2.0830	1.6273

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	104.243		O2	O1	H4	104.243
H3	O1	H4	112.633

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

using model chemistry: MP2/6-31G

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: MP2/6-31G

States and conformations

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