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	hartrees
Energy at 0K	-151.256970
Energy at 298.15K
HF Energy	-150.770300
Nuclear repulsion energy	36.041257

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3797	3581	72.53
2	A'	1643	1550	90.33
3	A'	952	898	115.99
4	A'	756	713	107.21
5	A"	3897	3676	182.38
6	A"	961	906	0.21

Atom	x (Å)	y (Å)	z (Å)
O1	0.059	-0.643	0.000
O2	0.059	0.857	0.000
H3	-0.473	-0.855	0.775
H4	-0.473	-0.855	-0.775

	O1	O2	H3	H4
O1		1.5001	0.9635	0.9635
O2	1.5001		1.9530	1.9530
H3	0.9635	1.9530		1.5497
H4	0.9635	1.9530	1.5497

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	102.698		O2	O1	H4	102.698
H3	O1	H4	107.069

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

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

States and conformations

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