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	hartrees
Energy at 0K	-191.154677
Energy at 298.15K	-191.159976
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	78.477223

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4230	3843	139.16
2	A	4196	3813	71.22
3	A	4091	3717	235.71
4	A	3260	2962	31.23
5	A	3206	2913	58.02
6	A	3155	2867	62.29
7	A	1771	1609	74.17
8	A	1631	1481	5.40
9	A	1622	1474	3.63
10	A	1612	1464	6.12
11	A	1481	1346	41.60
12	A	1283	1166	2.32
13	A	1162	1056	144.43
14	A	1158	1052	17.35
15	A	575	522	106.24
16	A	347	315	103.19
17	A	283	257	115.10
18	A	148	134	2.00
19	A	109	99	124.52
20	A	51	46	13.89
21	A	41	38	10.47

Atom	x (Å)	y (Å)	z (Å)
H1	1.322	0.093	0.031
O2	2.222	-0.183	0.105
O3	-0.671	0.589	-0.081
H4	2.634	0.038	-0.709
H5	-0.934	1.331	0.429
C6	-1.633	-0.429	0.003
H7	-2.586	-0.107	-0.402
H8	-1.271	-1.262	-0.581
H9	-1.774	-0.760	1.026

	H1	O2	O3	H4	H5	C6	H7	H8	H9
H1		0.9446	2.0570	1.5079	2.6039	3.0008	3.9368	2.9891	3.3622
O2	0.9446		3.0006	0.9390	3.5155	3.8645	4.8355	3.7202	4.1418
O3	2.0570	3.0006		3.4097	0.9387	1.4028	2.0623	2.0083	2.0644
H4	1.5079	0.9390	3.4097		3.9624	4.3517	5.2313	4.1183	4.8047
H5	2.6039	3.5155	0.9387	3.9624		1.9418	2.3435	2.8035	2.3321
C6	3.0008	3.8645	1.4028	4.3517	1.9418		1.0844	1.0795	1.0843
H7	3.9368	4.8355	2.0623	5.2313	2.3435	1.0844		1.7584	1.7678
H8	2.9891	3.7202	2.0083	4.1183	2.8035	1.0795	1.7584		1.7572
H9	3.3622	4.1418	2.0644	4.8047	2.3321	1.0843	1.7678	1.7572

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	106.357	H1	O3	H5	115.585
H1	O3	C6	119.088	O2	H1	O3	176.641
O3	C6	H7	111.381	O3	C6	H8	107.295
O3	C6	H9	111.564	H5	O3	C6	110.490
H7	C6	H8	108.704	H7	C6	H9	109.203
H8	C6	H9	108.601

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

using model chemistry: HF/6-311+G(3df,2p)

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	0.410
2	O	-0.609
3	O	-0.684
4	H	0.211
5	H	0.196
6	C	0.142
7	H	0.107
8	H	0.115
9	H	0.112

	x	y	z	Total
	-2.862	0.971	-0.595	3.080
CHELPG
AIM
ESP

	x	y	z
x	4.267	0.128	-0.081
y	0.128	3.849	0.045
z	-0.081	0.045	3.621

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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