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	hartrees
Energy at 0K	-151.281092
Energy at 298.15K
HF Energy	-150.777339
Nuclear repulsion energy	35.601957

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3754	3588	62.34
2	A'	1636	1564	87.02
3	A'	916	876	105.02
4	A'	719	688	100.10
5	A"	3852	3681	174.83
6	A"	913	873	0.00

Atom	x (Å)	y (Å)	z (Å)
O1	0.060	-0.657	0.000
O2	0.060	0.870	0.000
H3	-0.482	-0.851	0.776
H4	-0.482	-0.851	-0.776

	O1	O2	H3	H4
O1		1.5264	0.9662	0.9662
O2	1.5264		1.9641	1.9641
H3	0.9662	1.9641		1.5513
H4	0.9662	1.9641	1.5513

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	101.616		O2	O1	H4	101.616
H3	O1	H4	106.787

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

using model chemistry: CCSD/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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