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	hartrees
Energy at 0K	-151.171625
Energy at 298.15K
HF Energy	-150.718416
Nuclear repulsion energy	36.140941

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'	3738	3513	74.41	49.53	0.09	0.17
2	A'	1636	1538	95.70	3.47	0.60	0.75
3	A'	964	906	80.39	6.07	0.39	0.56
4	A'	764	718	114.34	6.57	0.23	0.38
5	A"	3857	3625	186.55	22.17	0.75	0.86
6	A"	938	881	0.05	4.42	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.061	-0.643	0.000
O2	0.061	0.851	0.000
H3	-0.488	-0.834	0.773
H4	-0.488	-0.834	-0.773

	O1	O2	H3	H4
O1		1.4941	0.9675	0.9675
O2	1.4941		1.9334	1.9334
H3	0.9675	1.9334		1.5468
H4	0.9675	1.9334	1.5468

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	101.370		O2	O1	H4	101.370
H3	O1	H4	106.149

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

using model chemistry: MP2=FULL/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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