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	hartrees
Energy at 0K	-151.303262
Energy at 298.15K
HF Energy	-150.784139
Nuclear repulsion energy	36.308733

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'	3711	3519	68.90	60.61	0.06	0.11
2	A'	1607	1524	88.08	3.70	0.65	0.79
3	A'	976	926	59.85	7.92	0.34	0.50
4	A'	800	759	118.75	7.73	0.19	0.32
5	A"	3822	3625	206.15	19.50	0.75	0.86
6	A"	954	904	0.03	2.52	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.060	-0.637	0.000
O2	0.060	0.846	0.000
H3	-0.483	-0.835	0.776
H4	-0.483	-0.835	-0.776

	O1	O2	H3	H4
O1		1.4835	0.9676	0.9676
O2	1.4835		1.9294	1.9294
H3	0.9676	1.9294		1.5525
H4	0.9676	1.9294	1.5525

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	101.772		O2	O1	H4	101.772
H3	O1	H4	106.693

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

using model chemistry: MP2/cc-pVQZ

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-pVQZ

States and conformations

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