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	hartrees
Energy at 0K	-76.260910
Energy at 298.15K	-76.262006
HF Energy	-76.040775
Nuclear repulsion energy	9.114337

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	3805	3649	4.15	104.07	0.04	0.08
2	A₁	1622	1555	67.55	1.95	0.63	0.78
3	B₂	3939	3778	67.21	24.15	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.119
H2	0.761	-0.476
H3	-0.761	-0.476

	O1	H2	H3
O1		0.9658	0.9658
H2	0.9658		1.5214
H3	0.9658	1.5214

All results from a given calculation for H₂O (Water)

using model chemistry: MP2/aug-cc-pVDZ

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: MP2/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂O (Water)