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	hartrees
Energy at 0K	-151.308447
Energy at 298.15K
HF Energy	-150.770505
Nuclear repulsion energy	35.797542

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3787	3787	71.44
2	A'	1633	1633	92.00
3	A'	933	933	108.62
4	A'	711	711	105.18
5	A"	3887	3887	180.49
6	A"	917	917	0.05

Atom	x (Å)	y (Å)	z (Å)
O1	0.060	-0.652	0.000
O2	0.060	0.864	0.000
H3	-0.478	-0.850	0.774
H4	-0.478	-0.850	-0.774

	O1	O2	H3	H4
O1		1.5161	0.9633	0.9633
O2	1.5161		1.9562	1.9562
H3	0.9633	1.9562		1.5486
H4	0.9633	1.9562	1.5486

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	101.852		O2	O1	H4	101.852
H3	O1	H4	106.985

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

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

States and conformations

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