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	hartrees
Energy at 0K	-151.439391
Energy at 298.15K	-151.442747
HF Energy	-151.187346
Counterpoise corrected energy	-151.439391
CP Energy at 298.15K	-151.442747
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	36.924188

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3633	3469	49.53
2	A'	3521	3362	2.05
3	A'	3442	3287	248.55
4	A'	1788	1707	59.55
5	A'	1720	1642	68.57
6	A'	531	507	58.66
7	A'	280	268	215.64
8	A'	218	208	247.62
9	A"	3668	3503	13.82
10	A"	850	812	193.34
11	A"	225	215	56.84
12	A"	138	132	182.34

Atom	x (Å)	y (Å)	z (Å)
H1	0.097	0.461	0.000
O2	0.006	1.452	0.000
O3	0.006	-1.351	0.000
H4	0.928	1.803	0.000
H5	-0.560	-1.535	0.791
H6	-0.560	-1.535	-0.791

	H1	O2	O3	H4	H5	H6
H1		0.9949	1.8139	1.5792	2.2451	2.2451
O2	0.9949		2.8023	0.9873	3.1409	3.1409
O3	1.8139	2.8023		3.2863	0.9898	0.9898
H4	1.5792	0.9873	3.2863		3.7398	3.7398
H5	2.2451	3.1409	0.9898	3.7398		1.5817
H6	2.2451	3.1409	0.9898	3.7398	1.5817

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	105.637	H1	O3	H5	102.386
H1	O3	H6	102.386	O2	H1	O3	171.886
H5	O3	H6	106.060

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

using model chemistry: MP2=FULL/3-21G

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: MP2=FULL/3-21G

States and conformations

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