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	hartrees
Energy at 0K	-76.393087
Energy at 298.15K	-76.394184
HF Energy	-76.393087
Nuclear repulsion energy	9.141841

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3828	3828	6.35
2	A₁	1665	1665	58.90
3	B₂	3933	3933	30.61

Atom	y (Å)	z (Å)
O1	0.000	0.120
H2	0.753	-0.481
H3	-0.753	-0.481

	O1	H2	H3
O1		0.9632	0.9632
H2	0.9632		1.5059
H3	0.9632	1.5059

Number	Element	Mulliken
1	O	-0.269
2	H	0.135
3	H	0.135

All results from a given calculation for H₂O (Water)

using model chemistry: B1B95/cc-pCVDZ

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>	5.274
(<r²>)^1/2	2.297

All results from a given calculation for H2O (Water)

using model chemistry: B1B95/cc-pCVDZ

States and conformations

All results from a given calculation for H₂O (Water)