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	hartrees
Energy at 0K	-191.594317
Energy at 298.15K	-191.599964
HF Energy	-191.051609
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	80.279244

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3826	3681
2	A	3735	3593
3	A	3683	3543
4	A	3165	3045
5	A	3118	3000
6	A	3046	2930
7	A	1774	1707
8	A	1549	1490
9	A	1542	1483
10	A	1514	1457
11	A	1411	1358
12	A	1192	1147
13	A	1094	1052
14	A	1059	1019
15	A	633	609
16	A	484	465
17	A	287	276
18	A	197	190
19	A	134	129
20	A	93	89
21	A	67	65

Atom	x (Å)	y (Å)	z (Å)
H1	-1.117	0.332	0.105
O2	-1.950	-0.124	-0.121
O3	0.794	0.756	0.133
H4	-2.400	-0.235	0.731
H5	0.866	1.190	-0.735
C6	1.282	-0.588	-0.017
H7	2.320	-0.598	-0.376
H8	1.248	-1.037	0.979
H9	0.645	-1.175	-0.693

	H1	O2	O3	H4	H5	C6	H7	H8	H9
H1		0.9764	1.9576	1.5358	2.3184	2.5720	3.5935	2.8692	2.4523
O2	0.9764		2.8930	0.9703	3.1677	3.2667	4.3045	3.5034	2.8580
O3	1.9576	2.8930		3.3968	0.9736	1.4377	2.1032	2.0342	2.1055
H4	1.5358	0.9703	3.3968		3.8530	3.7735	4.8622	3.7432	3.4910
H5	2.3184	3.1677	0.9736	3.8530		1.9618	2.3324	2.8366	2.3752
C6	2.5720	3.2667	1.4377	3.7735	1.9618		1.0991	1.0940	1.0982
H7	3.5935	4.3045	2.1032	4.8622	2.3324	1.0991		1.7838	1.7998
H8	2.8692	3.5034	2.0342	3.7432	2.8366	1.0940	1.7838		1.7833
H9	2.4523	2.8580	2.1055	3.4910	2.3752	1.0982	1.7998	1.7833

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.163	H1	O3	H5	98.977
H1	O3	C6	97.308	O2	H1	O3	159.626
O3	C6	H7	111.305	O3	C6	H8	106.133
O3	C6	H9	111.552	H5	O3	C6	107.327
H7	C6	H8	108.852	H7	C6	H9	109.988
H8	C6	H9	108.879

All results from a given calculation for H₂OCH₃OH (water methanol dimer)

using model chemistry: CCSD(T)/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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Number	Element	Mulliken
1	H	0.478
2	O	-0.924
3	O	-0.750
4	H	0.423
5	H	0.448
6	C	-0.192
7	H	0.158
8	H	0.181
9	H	0.179

	x	y	z	Total
	1.905	-0.229	0.285	1.940
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	86.498
(<r²>)^1/2	9.300

All results from a given calculation for H2OCH3OH (water methanol dimer)

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

States and conformations

All results from a given calculation for H₂OCH₃OH (water methanol dimer)