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	hartrees
Energy at 0K	-75.944568
Energy at 298.15K	-75.945665
HF Energy	-75.944568
Nuclear repulsion energy	8.896611

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	3496	3339	8.64	90.49	0.21	0.34
2	A₁	1694	1617	44.07	13.63	0.46	0.63
3	B₂	3643	3479	0.00	42.29	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.121
H2	0.783	-0.484
H3	-0.783	-0.484

	O1	H2	H3
O1		0.9893	0.9893
H2	0.9893		1.5662
H3	0.9893	1.5662

Number	Element	Mulliken
1	O	-0.666
2	H	0.333
3	H	0.333

All results from a given calculation for H₂O (Water)

using model chemistry: B1B95/3-21G*

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>	5.308
(<r²>)^1/2	2.304

All results from a given calculation for H2O (Water)

using model chemistry: B1B95/3-21G*

States and conformations

All results from a given calculation for H₂O (Water)