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	hartrees
Energy at 0K	-190.321147
Energy at 298.15K	-190.314346
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3623	3458	37.72
2	A	3518	3358	5.63
3	A	3421	3265	192.83
4	A	3202	3056	15.80
5	A	3178	3033	20.88
6	A	3093	2953	32.26
7	A	1784	1703	53.51
8	A	1638	1563	4.45
9	A	1595	1523	1.77
10	A	1523	1453	2.27
11	A	1402	1338	29.90
12	A	1186	1132	3.42
13	A	1092	1042	38.06
14	A	960	916	56.56
15	A	841	803	252.38
16	A	585	558	13.86
17	A	316	302	317.64
18	A	256	245	21.98
19	A	242	231	122.43
20	A	206	196	16.85
21	A	159	152	12.90

Atom	x (Å)	y (Å)	z (Å)
H1	-1.001	0.441	0.117
O2	-1.810	-0.089	-0.122
O3	0.791	0.792	0.146
H4	-2.189	-0.400	0.736
H5	0.835	1.208	-0.755
C6	1.140	-0.650	-0.028
H7	2.006	-0.780	-0.685
H8	1.392	-1.012	0.969
H9	0.269	-1.184	-0.409

	H1	O2	O3	H4	H5	C6	H7	H8	H9
H1		0.9963	1.8257	1.5822	2.1726	2.4076	3.3426	2.9263	2.1293
O2	0.9963		2.7587	0.9881	3.0135	3.0046	3.9184	3.5062	2.3680
O3	1.8257	2.7587		3.2630	0.9936	1.4938	2.1532	2.0720	2.1181
H4	1.5822	0.9881	3.2630		3.7359	3.4246	4.4447	3.6398	2.8229
H5	2.1726	3.0135	0.9936	3.7359		2.0183	2.3076	2.8656	2.4827
C6	2.4076	3.0046	1.4938	3.4246	2.0183		1.0942	1.0901	1.0908
H7	3.3426	3.9184	2.1532	4.4447	2.3076	1.0942		1.7795	1.8039
H8	2.9263	3.5062	2.0720	3.6398	2.8656	1.0901	1.7795		1.7860
H9	2.1293	2.3680	2.1181	2.8229	2.4827	1.0908	1.8039	1.7860

Number	Element	Mulliken
1	H	0.398
2	O	-0.779
3	O	-0.658
4	H	0.346
5	H	0.383
6	C	-0.338
7	H	0.193
8	H	0.222
9	H	0.233

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

using model chemistry: MP2_cp/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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	x	y	z	Total
	1.947	-0.742	0.218	2.095
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>	78.947
(<r²>)^1/2	8.885

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

using model chemistry: MP2_cp/3-21G

States and conformations

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