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	hartrees
Energy at 0K	-191.636712
Energy at 298.15K	-191.642346
HF Energy	-191.077266
Nuclear repulsion energy	80.792041

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4028	3748	73.52
2	A	3956	3681	32.45
3	A	3877	3607	176.30
4	A	3251	3025	26.49
5	A	3208	2985	41.86
6	A	3129	2911	39.14
7	A	1736	1615	64.09
8	A	1576	1466	3.22
9	A	1566	1458	2.73
10	A	1542	1435	6.24
11	A	1422	1323	35.28
12	A	1216	1131	1.19
13	A	1113	1036	1.22
14	A	1091	1015	123.00
15	A	633	589	167.23
16	A	473	440	25.70
17	A	280	261	214.66
18	A	194	180	4.55
19	A	128	119	128.41
20	A	90	83	8.61
21	A	66	61	39.39

Atom	x (Å)	y (Å)	z (Å)
H1	1.214	0.196	0.028
O2	2.094	-0.185	0.108
O3	-0.714	0.690	-0.101
H4	2.534	0.050	-0.709
H5	-1.007	1.294	0.584
C6	-1.469	-0.510	0.002
H7	-2.530	-0.341	-0.189
H8	-1.083	-1.184	-0.757
H9	-1.354	-0.989	0.975

	H1	O2	O3	H4	H5	C6	H7	H8	H9
H1		0.9624	1.9941	1.5193	2.5391	2.7736	3.7881	2.7915	2.9828
O2	0.9624		2.9484	0.9575	3.4684	3.5788	4.6359	3.4406	3.6455
O3	1.9941	2.9484		3.3663	0.9589	1.4212	2.0901	2.0191	2.0947
H4	1.5193	0.9575	3.3663		3.9700	4.1040	5.1060	3.8222	4.3634
H5	2.5391	3.4684	0.9589	3.9700		1.9512	2.3646	2.8184	2.3427
C6	2.7736	3.5788	1.4212	4.1040	1.9512		1.0915	1.0855	1.0913
H7	3.7881	4.6359	2.0901	5.1060	2.3646	1.0915		1.7681	1.7770
H8	2.7915	3.4406	2.0191	3.8222	2.8184	1.0855	1.7681		1.7646
H9	2.9828	3.6455	2.0947	4.3634	2.3427	1.0913	1.7770	1.7646

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.624	H1	O3	H5	113.926
H1	O3	C6	107.418	O2	H1	O3	170.949
O3	C6	H7	111.908	O3	C6	H8	106.550
O3	C6	H9	112.300	H5	O3	C6	108.569
H7	C6	H8	108.621	H7	C6	H9	108.997
H8	C6	H9	108.319

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

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

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