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	hartrees
Energy at 0K	-76.232325
Energy at 298.15K	-76.233422
HF Energy	-76.030682
Nuclear repulsion energy	9.177064

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3933	3626	8.41
2	A₁	1659	1529	92.46
3	B₂	4057	3739	54.80

Atom	y (Å)	z (Å)
O1	0.000	0.116
H2	0.764	-0.463
H3	-0.764	-0.463

	O1	H2	H3
O1		0.9588	0.9588
H2	0.9588		1.5283
H3	0.9588	1.5283

All results from a given calculation for H₂O (Water)

using model chemistry: CISD/6-31+G**

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: CISD/6-31+G**

States and conformations

All results from a given calculation for H₂O (Water)