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	hartrees
Energy at 0K	-151.373303
Energy at 298.15K
HF Energy	-150.785809
Nuclear repulsion energy	35.773134

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3797	3797	67.54
2	A'	1646	1646	91.59
3	A'	911	911	104.75
4	A'	714	714	110.15
5	A"	3893	3893	185.15
6	A"	909	909	0.00

Atom	x (Å)	y (Å)	z (Å)
O1	0.060	-0.654	0.000
O2	0.060	0.866	0.000
H3	-0.478	-0.849	0.772
H4	-0.478	-0.849	-0.772

	O1	O2	H3	H4
O1		1.5195	0.9608	0.9608
O2	1.5195		1.9557	1.9557
H3	0.9608	1.9557		1.5446
H4	0.9608	1.9557	1.5446

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	101.712		O2	O1	H4	101.712
H3	O1	H4	106.988

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

using model chemistry: CCSD=FULL/cc-pVQZ

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/cc-pVQZ

States and conformations

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