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	hartrees
Energy at 0K	-151.162022
Energy at 298.15K
HF Energy	-150.740504
Nuclear repulsion energy	35.110045

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3732	3732	62.18
2	A'	1625	1625	85.47
3	A'	910	910	116.16
4	A'	673	673	93.30
5	A"	3836	3836	162.96
6	A"	895	895	0.01

Atom	x (Å)	y (Å)	z (Å)
O1	0.062	-0.672	0.000
O2	0.062	0.884	0.000
H3	-0.495	-0.847	0.776
H4	-0.495	-0.847	-0.776

	O1	O2	H3	H4
O1		1.5562	0.9707	0.9707
O2	1.5562		1.9765	1.9765
H3	0.9707	1.9765		1.5517
H4	0.9707	1.9765	1.5517

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	100.348		O2	O1	H4	100.348
H3	O1	H4	106.117

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

using model chemistry: CCSD=FULL/aug-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: CCSD=FULL/aug-cc-pVDZ

States and conformations

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