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	hartrees
Energy at 0K	-152.676219
Energy at 298.15K	-152.678931
HF Energy	-152.126680
Counterpoise corrected energy	-152.676219
CP Energy at 298.15K	-152.678931
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	36.464659

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3927	3780	105.60
2	A'	3843	3698	8.67
3	A'	3780	3638	235.13
4	A'	1679	1616	40.60
5	A'	1659	1596	86.69
6	A'	350	337	55.25
7	A'	178	171	144.27
8	A'	149	143	133.29
9	A"	3946	3798	77.71
10	A"	608	586	98.94
11	A"	142	137	66.29
12	A"	129	124	100.83

Atom	x (Å)	y (Å)	z (Å)
H1	0.138	0.554	0.000
O2	0.005	1.510	0.000
O3	0.005	-1.414	0.000
H4	0.892	1.875	0.000
H5	-0.559	-1.596	0.758
H6	-0.559	-1.596	-0.758

	H1	O2	O3	H4	H5	H6
H1		0.9656	1.9725	1.5215	2.3835	2.3835
O2	0.9656		2.9244	0.9589	3.2466	3.2466
O3	1.9725	2.9244		3.4070	0.9620	0.9620
H4	1.5215	0.9589	3.4070		3.8379	3.8379
H5	2.3835	3.2466	0.9620	3.8379		1.5153
H6	2.3835	3.2466	0.9620	3.8379	1.5153

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.480	H1	O3	H5	103.174
H1	O3	H6	103.174	O2	H1	O3	168.234
H5	O3	H6	103.923

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

using model chemistry: QCISD/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: QCISD/aug-cc-pVTZ

States and conformations

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