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	hartrees
Energy at 0K	-75.023215
Energy at 298.15K	-75.024314
HF Energy	-74.962548
Nuclear repulsion energy	8.577133

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3572	3572
2	A₁	2038	2038
3	B₂	3814	3814

Atom	y (Å)	z (Å)
O1	0.000	0.137
H2	0.769	-0.546
H3	-0.769	-0.546

	O1	H2	H3
O1		1.0284	1.0284
H2	1.0284		1.5375
H3	1.0284	1.5375

All results from a given calculation for H₂O (Water)

using model chemistry: QCISD(TQ)/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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All results from a given calculation for H2O (Water)

using model chemistry: QCISD(TQ)/STO-3G

States and conformations

All results from a given calculation for H₂O (Water)