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	hartrees
Energy at 0K	-150.112337
Energy at 298.15K
HF Energy	-149.896062
Nuclear repulsion energy	33.894463

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3598	3348	31.55
2	A'	1705	1586	89.54
3	A'	797	742	105.77
4	A'	720	670	225.55
5	A"	3724	3465	84.65
6	A"	809	752	4.30

Atom	x (Å)	y (Å)	z (Å)
O1	0.059	-0.697	0.000
O2	0.059	0.925	0.000
H3	-0.469	-0.910	0.803
H4	-0.469	-0.910	-0.803

	O1	O2	H3	H4
O1		1.6224	0.9842	0.9842
O2	1.6224		2.0714	2.0714
H3	0.9842	2.0714		1.6058
H4	0.9842	2.0714	1.6058

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	102.474		O2	O1	H4	102.474
H3	O1	H4	109.335

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

using model chemistry: CID/3-21G*

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: CID/3-21G*

States and conformations

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