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	hartrees
Energy at 0K	-191.590348
Energy at 298.15K
Nuclear repulsion energy

Atom	x (Å)	y (Å)	z (Å)
H1	0.000	0.327	0.000
O2	-0.968	0.201	0.000
O3	1.879	0.880	0.000
C4	-1.210	-1.199	0.000
H5	1.931	1.475	0.768
H6	1.931	1.475	-0.768
H7	-2.297	-1.338	0.000
H8	-0.798	-1.698	-0.894
H9	-0.798	-1.698	0.894

	H1	O2	O3	C4	H5	H6	H7	H8	H9
H1		0.9763	1.9592	1.9475	2.3745	2.3745	2.8368	2.3523	2.3523
O2	0.9763		2.9274	1.4215	3.2587	3.2587	2.0335	2.1058	2.1058
O3	1.9592	2.9274		3.7240	0.9724	0.9724	4.7289	3.8227	3.8227
C4	1.9475	1.4215	3.7240		4.1963	4.1963	1.0959	1.1031	1.1031
H5	2.3745	3.2587	0.9724	4.1963		1.5353	5.1363	4.5029	4.1870
H6	2.3745	3.2587	0.9724	4.1963	1.5353		5.1363	4.1870	4.5029
H7	2.8368	2.0335	4.7289	1.0959	5.1363	5.1363		1.7819	1.7819
H8	2.3523	2.1058	3.8227	1.1031	4.5029	4.1870	1.7819		1.7877
H9	2.3523	2.1058	3.8227	1.1031	4.1870	4.5029	1.7819	1.7877

Number	Element	Mulliken
1	H	0.484
2	O	-0.786
3	O	-0.869
4	C	-0.159
5	H	0.450
6	H	0.450
7	H	0.161
8	H	0.134
9	H	0.134

	x	y	z	Total
	2.155	1.149	0.000	2.442
CHELPG
AIM
ESP

All results from a given calculation for CH₃OHH₂O (methanol water dimer)

using model chemistry: CCSD(T)_cp/6-31G*

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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<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH3OHH2O (methanol water dimer)

using model chemistry: CCSD(T)_cp/6-31G*

States and conformations

All results from a given calculation for CH₃OHH₂O (methanol water dimer)