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	hartrees
Energy at 0K	-151.399856
Energy at 298.15K
HF Energy	-151.259780
Nuclear repulsion energy	35.193899

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3767	3767	79.25	48.71	0.10	0.17
2	A'	1595	1595	84.78	6.14	0.70	0.82
3	A'	869	869	85.69	5.06	0.59	0.74
4	A'	645	645	111.41	5.37	0.15	0.26
5	A"	3866	3866	172.82	20.54	0.75	0.86
6	A"	827	827	0.68	5.78	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.060	-0.667	0.000
O2	0.060	0.884	0.000
H3	-0.481	-0.871	0.773
H4	-0.481	-0.871	-0.773

	O1	O2	H3	H4
O1		1.5510	0.9656	0.9656
O2	1.5510		1.9930	1.9930
H3	0.9656	1.9930		1.5469
H4	0.9656	1.9930	1.5469

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	102.216		O2	O1	H4	102.216
H3	O1	H4	106.441

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

using model chemistry: B2PLYP=FULLultrafine/6-311G**

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: B2PLYP=FULLultrafine/6-311G**

States and conformations

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