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	hartrees
Energy at 0K	-75.336100
Energy at 298.15K	-75.337199
HF Energy	-75.336100
Nuclear repulsion energy	8.557655

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	3582	3582	73.74	38.31	0.17	0.28
2	A₁	2026	2026	2.15	9.84	0.74	0.85
3	B₂	3802	3802	57.91	19.48	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.137
H2	0.770	-0.548
H3	-0.770	-0.548

	O1	H2	H3
O1		1.0308	1.0308
H2	1.0308		1.5395
H3	1.0308	1.5395

Number	Element	Mulliken
1	O	-0.287
2	H	0.143
3	H	0.143

All results from a given calculation for H₂O (Water)

using model chemistry: TPSSh/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>	5.287
(<r²>)^1/2	2.299

All results from a given calculation for H2O (Water)

using model chemistry: TPSSh/STO-3G

States and conformations

All results from a given calculation for H₂O (Water)