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	hartrees
Energy at 0K	-76.336499
Energy at 298.15K	-76.332720
HF Energy	-76.006573
Nuclear repulsion energy	9.333210

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	4086	4086	11.25	79.12	0.20	0.33
2	A₁	1836	1836	108.10	7.39	0.51	0.67
3	B₂	4199	4199	49.04	41.22	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.112
H2	0.758	-0.448
H3	-0.758	-0.448

	O1	H2	H3
O1		0.9424	0.9424
H2	0.9424		1.5166
H3	0.9424	1.5166

All results from a given calculation for H₂O (Water)

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

All results from a given calculation for H₂O (Water)