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	hartrees
Energy at 0K	-151.159672
Energy at 298.15K
HF Energy	-150.740428
Nuclear repulsion energy	34.965001

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3724	3607	62.38
2	A'	1620	1569	85.51
3	A'	898	869	114.05
4	A'	647	627	93.13
5	A"	3828	3709	163.08
6	A"	874	847	0.06

Atom	x (Å)	y (Å)	z (Å)
O1	0.062	-0.677	0.000
O2	0.062	0.888	0.000
H3	-0.498	-0.844	0.776
H4	-0.498	-0.844	-0.776

	O1	O2	H3	H4
O1		1.5657	0.9715	0.9715
O2	1.5657		1.9793	1.9793
H3	0.9715	1.9793		1.5526
H4	0.9715	1.9793	1.5526

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	99.888		O2	O1	H4	99.888
H3	O1	H4	106.078

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

using model chemistry: QCISD/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: QCISD/aug-cc-pVDZ

States and conformations

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