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	hartrees
Energy at 0K	-151.120523
Energy at 298.15K
HF Energy	-150.741976
Nuclear repulsion energy	35.675338

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3843	3843	70.33
2	A'	1664	1664	89.16
3	A'	936	936	132.92
4	A'	722	722	97.32
5	A"	3943	3943	181.90
6	A"	966	966	0.10

Atom	x (Å)	y (Å)	z (Å)
O1	0.060	-0.653	0.000
O2	0.060	0.869	0.000
H3	-0.477	-0.862	0.772
H4	-0.477	-0.862	-0.772

	O1	O2	H3	H4
O1		1.5225	0.9632	0.9632
O2	1.5225		1.9700	1.9700
H3	0.9632	1.9700		1.5448
H4	0.9632	1.9700	1.5448

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	102.504		O2	O1	H4	102.504
H3	O1	H4	106.624

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

using model chemistry: CID/daug-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: CID/daug-cc-pVDZ

States and conformations

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