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	hartrees
Energy at 0K	-151.180320
Energy at 298.15K
HF Energy	-150.772714
Nuclear repulsion energy	35.436861

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3790	3593	74.48
2	A'	1605	1521	83.53
3	A'	906	859	139.74
4	A'	727	689	94.51
5	A"	3893	3691	151.80
6	A"	894	847	2.93

Atom	x (Å)	y (Å)	z (Å)
O1	0.058	-0.655	0.000
O2	0.058	0.878	0.000
H3	-0.467	-0.892	0.775
H4	-0.467	-0.892	-0.775

	O1	O2	H3	H4
O1		1.5325	0.9658	0.9658
O2	1.5325		2.0023	2.0023
H3	0.9658	2.0023		1.5490
H4	0.9658	2.0023	1.5490

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	104.235		O2	O1	H4	104.235
H3	O1	H4	106.633

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

using model chemistry: CCD/TZVP

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: CCD/TZVP

States and conformations

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