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	hartrees
Energy at 0K	-76.434046
Energy at 298.15K	-76.435142
HF Energy	-76.434046
Nuclear repulsion energy	9.180545

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3875	3875	9.67
2	A₁	1620	1620	82.43
3	B₂	3979	3979	82.03

Atom	y (Å)	z (Å)
O1	0.000	0.116
H2	0.762	-0.465
H3	-0.762	-0.465

	O1	H2	H3
O1		0.9585	0.9585
H2	0.9585		1.5235
H3	0.9585	1.5235

Number	Element	Mulliken
1	O	-0.427
2	H	0.214
3	H	0.214

All results from a given calculation for H₂O (Water)

using model chemistry: M06-2X/aug-cc-pVQZ

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>	5.551
(<r²>)^1/2	2.356

All results from a given calculation for H2O (Water)

using model chemistry: M06-2X/aug-cc-pVQZ

States and conformations

All results from a given calculation for H₂O (Water)