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	hartrees
Energy at 0K	-191.663370
Energy at 298.15K	-191.669106
Counterpoise corrected energy	-191.663370
CP Energy at 298.15K	-191.669106
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	80.766513

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3917	3758	68.08
2	A	3851	3694	34.52
3	A	3797	3642	139.96
4	A	3158	3029	29.28
5	A	3122	2995	42.61
6	A	3045	2921	43.39
7	A	1730	1660	46.50
8	A	1514	1452	3.44
9	A	1501	1440	3.22
10	A	1487	1427	4.78
11	A	1405	1348	30.69
12	A	1183	1135	0.82
13	A	1095	1050	0.71
14	A	1075	1031	106.12
15	A	605	581	151.21
16	A	476	457	38.13
17	A	274	263	192.94
18	A	190	183	1.68
19	A	152	146	100.24
20	A	121	117	16.46
21	A	85	81	25.10

Atom	x (Å)	y (Å)	z (Å)
H1	-1.130	0.399	0.116
O2	-1.942	-0.078	-0.115
O3	0.814	0.754	0.150
H4	-2.159	-0.521	0.714
H5	0.886	1.187	-0.712
C6	1.233	-0.598	-0.036
H7	2.250	-0.659	-0.468
H8	1.254	-1.065	0.963
H9	0.523	-1.162	-0.671

	H1	O2	O3	H4	H5	C6	H7	H8	H9
H1		0.9698	1.9764	1.5044	2.3171	2.5687	3.5896	2.9226	2.4054
O2	0.9698		2.8913	0.9648	3.1547	3.2180	4.2471	3.5146	2.7495
O3	1.9764	2.8913		3.2843	0.9666	1.4283	2.1079	2.0405	2.1048
H4	1.5044	0.9648	3.2843		3.7712	3.4748	4.5673	3.4656	3.0858
H5	2.3171	3.1547	0.9666	3.7712		1.9401	2.3087	2.8301	2.3770
C6	2.5687	3.2180	1.4283	3.4748	1.9401		1.1071	1.1027	1.1060
H7	3.5896	4.2471	2.1079	4.5673	2.3087	1.1071		1.7898	1.8102
H8	2.9226	3.5146	2.0405	3.4656	2.8301	1.1027	1.7898		1.7922
H9	2.4054	2.7495	2.1048	3.0858	2.3770	1.1060	1.8102	1.7922

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	102.082	H1	O3	H5	97.947
H1	O3	C6	96.630	O2	H1	O3	156.394
O3	C6	H7	111.856	O3	C6	H8	106.748
O3	C6	H9	111.667	H5	O3	C6	106.615
H7	C6	H8	108.180	H7	C6	H9	109.760
H8	C6	H9	108.469

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

using model chemistry: QCISD/cc-pVDZ

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 H2OCH3OH (water methanol dimer)

using model chemistry: QCISD/cc-pVDZ

States and conformations

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