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	hartrees
Energy at 0K	-151.162149
Energy at 298.15K
HF Energy	-150.741561
Nuclear repulsion energy	35.022122

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3721	3721	61.19
2	A'	1627	1627	85.07
3	A'	894	894	106.61
4	A'	653	653	90.81
5	A"	3826	3826	162.96
6	A"	880	880	0.09

Atom	x (Å)	y (Å)	z (Å)
O1	0.062	-0.675	0.000
O2	0.062	0.887	0.000
H3	-0.496	-0.849	0.775
H4	-0.496	-0.849	-0.775

	O1	O2	H3	H4
O1		1.5616	0.9711	0.9711
O2	1.5616		1.9810	1.9810
H3	0.9711	1.9810		1.5509
H4	0.9711	1.9810	1.5509

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	100.310		O2	O1	H4	100.310
H3	O1	H4	105.974

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

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

States and conformations

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