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	hartrees
Energy at 0K	-151.101396
Energy at 298.15K
HF Energy	-150.721667
Nuclear repulsion energy	35.303134

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3842	3613	81.75
2	A'	1666	1567	80.42
3	A'	879	827	115.72
4	A'	698	656	109.33
5	A"	3934	3699	168.28
6	A"	891	838	0.43

Atom	x (Å)	y (Å)	z (Å)
O1	0.062	-0.664	0.000
O2	0.062	0.880	0.000
H3	-0.492	-0.863	0.767
H4	-0.492	-0.863	-0.767

	O1	O2	H3	H4
O1		1.5443	0.9667	0.9667
O2	1.5443		1.9836	1.9836
H3	0.9667	1.9836		1.5338
H4	0.9667	1.9836	1.5338

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	O1	H3	101.892		O2	O1	H4	101.892
H3	O1	H4	105.001

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

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

States and conformations

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