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	hartrees
Energy at 0K	-152.768808
Energy at 298.15K	-152.771662
HF Energy	-152.768808
Counterpoise corrected energy	-152.768717
CP Energy at 298.15K	-152.771560
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	36.538096

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3769	3726	66.23
2	A'	3690	3648	7.01
3	A'	3527	3488	393.77
4	A'	1611	1592	27.09
5	A'	1592	1574	85.64
6	A'	382	378	35.89
7	A'	197	195	213.91
8	A'	164	162	64.03
9	A"	3790	3748	72.32
10	A"	645	638	74.53
11	A"	163	161	0.20
12	A"	131	129	160.72

All results from a given calculation for H₂OH₂O (water dimer)

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

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 H2OH2O (water dimer)

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

States and conformations

All results from a given calculation for H₂OH₂O (water dimer)