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	hartrees
Energy at 0K	-151.275536
Energy at 298.15K
HF Energy	-150.771224
Nuclear repulsion energy	36.213903

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'	3731	3542	72.21	52.95	0.07	0.13
2	A'	1613	1532	87.48	4.48	0.65	0.78
3	A'	965	916	53.31	8.00	0.41	0.58
4	A'	787	747	128.83	7.38	0.17	0.29
5	A"	3844	3649	200.74	19.10	0.75	0.86
6	A"	932	885	0.05	3.39	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.061	-0.641	0.000
O2	0.061	0.849	0.000
H3	-0.488	-0.830	0.774
H4	-0.488	-0.830	-0.774

	O1	O2	H3	H4
O1		1.4900	0.9674	0.9674
O2	1.4900		1.9286	1.9286
H3	0.9674	1.9286		1.5481
H4	0.9674	1.9286	1.5481

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	101.270		O2	O1	H4	101.270
H3	O1	H4	106.291

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

using model chemistry: MP2=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

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