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	hartrees
Energy at 0K	-151.155080
Energy at 298.15K
HF Energy	-150.741545
Nuclear repulsion energy	35.695422

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3781	3781	65.10
2	A'	1643	1643	86.04
3	A'	944	944	114.16
4	A'	756	756	92.07
5	A"	3877	3877	172.22
6	A"	965	965	0.02

Atom	x (Å)	y (Å)	z (Å)
O1	0.060	-0.653	0.000
O2	0.060	0.867	0.000
H3	-0.482	-0.856	0.774
H4	-0.482	-0.856	-0.774

	O1	O2	H3	H4
O1		1.5192	0.9673	0.9673
O2	1.5192		1.9653	1.9653
H3	0.9673	1.9653		1.5488
H4	0.9673	1.9653	1.5488

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	102.156		O2	O1	H4	102.156
H3	O1	H4	106.377

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

using model chemistry: MP3=FULL/daug-cc-pVDZ

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: MP3=FULL/daug-cc-pVDZ

States and conformations

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