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	hartrees
Energy at 0K	-151.384232
Energy at 298.15K
HF Energy	-151.248327
Nuclear repulsion energy	35.251867

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'	3757	3757	56.10	51.87	0.11	0.20
2	A'	1708	1708	111.59	6.15	0.72	0.84
3	A'	920	920	117.07	4.76	0.66	0.80
4	A'	663	663	110.41	5.93	0.16	0.28
5	A"	3865	3865	154.45	23.28	0.75	0.86
6	A"	901	901	2.31	7.26	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.058	-0.665	0.000
O2	0.058	0.883	0.000
H3	-0.464	-0.875	0.783
H4	-0.464	-0.875	-0.783

	O1	O2	H3	H4
O1		1.5476	0.9639	0.9639
O2	1.5476		1.9936	1.9936
H3	0.9639	1.9936		1.5650
H4	0.9639	1.9936	1.5650

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	102.588		O2	O1	H4	102.588
H3	O1	H4	108.542

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

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

States and conformations

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