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	hartrees
Energy at 0K	-75.238534
Energy at 298.15K	-75.239632
HF Energy	-75.238534
Nuclear repulsion energy	8.503652

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3495	3193	73.14	34.79	0.16	0.28
2	A₁	1984	1813	2.26	9.49	0.75	0.85
3	B₂	3711	3390	53.65	18.17	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.139
H2	0.772	-0.554
H3	-0.772	-0.554

	O1	H2	H3
O1		1.0375	1.0375
H2	1.0375		1.5448
H3	1.0375	1.5448

Number	Element	Mulliken
1	O	-0.289
2	H	0.144
3	H	0.144

All results from a given calculation for H₂O (Water)

using model chemistry: PBEPBE/STO-3G

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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<r²>	5.306
(<r²>)^1/2	2.303

All results from a given calculation for H2O (Water)

using model chemistry: PBEPBE/STO-3G

States and conformations

All results from a given calculation for H₂O (Water)