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	hartrees
Energy at 0K	-151.085669
Energy at 298.15K
HF Energy	-150.720285
Nuclear repulsion energy	35.540713

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'	3741	3563	87.47	51.48	0.10	0.18
2	A'	1631	1554	80.89	5.12	0.66	0.79
3	A'	898	856	68.10	5.49	0.56	0.71
4	A'	726	692	123.35	9.87	0.21	0.35
5	A"	3856	3673	184.32	24.24	0.75	0.86
6	A"	889	847	0.08	5.32	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.063	-0.658	0.000
O2	0.063	0.869	0.000
H3	-0.502	-0.844	0.770
H4	-0.502	-0.844	-0.770

	O1	O2	H3	H4
O1		1.5272	0.9727	0.9727
O2	1.5272		1.9616	1.9616
H3	0.9727	1.9616		1.5393
H4	0.9727	1.9616	1.5393

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	101.049		O2	O1	H4	101.049
H3	O1	H4	104.600

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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