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	hartrees
Energy at 0K	-151.191046
Energy at 298.15K
HF Energy	-150.720067
Nuclear repulsion energy	35.429851

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3800	3578	71.11
2	A'	1662	1565	97.17
3	A'	894	842	115.28
4	A'	660	622	110.77
5	A"	3906	3678	165.90
6	A"	873	822	0.04

Atom	x (Å)	y (Å)	z (Å)
O1	0.061	-0.665	0.000
O2	0.061	0.876	0.000
H3	-0.488	-0.845	0.771
H4	-0.488	-0.845	-0.771

	O1	O2	H3	H4
O1		1.5403	0.9635	0.9635
O2	1.5403		1.9638	1.9638
H3	0.9635	1.9638		1.5419
H4	0.9635	1.9638	1.5419

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

using model chemistry: CCSD=FULL/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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