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	hartrees
Energy at 0K	-76.261759
Energy at 298.15K	-76.262856
HF Energy	-76.046578
Nuclear repulsion energy	9.233242

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3969	3969	6.45
2	A₁	1702	1702	55.25
3	B₂	4058	4058	29.47

Atom	y (Å)	z (Å)
O1	0.000	0.119
H2	0.747	-0.474
H3	-0.747	-0.474

	O1	H2	H3
O1		0.9536	0.9536
H2	0.9536		1.4940
H3	0.9536	1.4940

All results from a given calculation for H₂O (Water)

using model chemistry: CID/6-311G**

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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All results from a given calculation for H2O (Water)

using model chemistry: CID/6-311G**

States and conformations

All results from a given calculation for H₂O (Water)