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	hartrees
Energy at 0K	-151.264407
Energy at 298.15K
HF Energy	-150.770485
Nuclear repulsion energy	35.624256

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3778	3603	71.38
2	A'	1631	1555	92.29
3	A'	922	879	107.49
4	A'	685	653	103.89
5	A"	3878	3699	179.18
6	A"	900	858	0.01

Atom	x (Å)	y (Å)	z (Å)
O1	0.060	-0.657	0.000
O2	0.060	0.869	0.000
H3	-0.482	-0.848	0.775
H4	-0.482	-0.848	-0.775

	O1	O2	H3	H4
O1		1.5265	0.9646	0.9646
O2	1.5265		1.9605	1.9605
H3	0.9646	1.9605		1.5498
H4	0.9646	1.9605	1.5498

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	101.413		O2	O1	H4	101.413
H3	O1	H4	106.893

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

using model chemistry: QCISD/6-311+G(3df,2p)

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: QCISD/6-311+G(3df,2p)

States and conformations

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