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	hartrees
Energy at 0K	-191.636421
Energy at 298.15K	-191.641686
HF Energy	-191.077730
Nuclear repulsion energy	78.579006

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3935	3662	9.14
2	A'	3887	3617	310.20
3	A'	3221	2997	49.19
4	A'	3093	2878	60.68
5	A'	1701	1582	83.52
6	A'	1583	1473	1.72
7	A'	1546	1439	9.86
8	A'	1492	1388	51.12
9	A'	1152	1072	0.77
10	A'	1130	1051	103.03
11	A'	294	274	268.86
12	A'	176	164	5.06
13	A'	62	58	47.82
14	A"	4046	3765	52.97
15	A"	3151	2932	83.16
16	A"	1566	1457	0.47
17	A"	1216	1131	2.22
18	A"	709	659	142.28
19	A"	214	199	4.02
20	A"	98	91	25.09
21	A"	55	51	54.90

Atom	x (Å)	y (Å)	z (Å)
H1	0.000	0.409	0.000
O2	-0.962	0.397	0.000
O3	1.992	0.506	0.000
C4	-1.379	-0.949	0.000
H5	2.294	1.005	0.762
H6	2.294	1.005	-0.762
H7	-2.467	-0.952	0.000
H8	-1.043	-1.499	-0.885
H9	-1.043	-1.499	0.885

	H1	O2	O3	C4	H5	H6	H7	H8	H9
H1		0.9623	1.9948	1.9358	2.4893	2.4893	2.8173	2.3474	2.3474
O2	0.9623		2.9566	1.4096	3.3987	3.3987	2.0207	2.0938	2.0938
O3	1.9948	2.9566		3.6725	0.9589	0.9589	4.6917	3.7439	3.7439
C4	1.9358	1.4096	3.6725		4.2297	4.2297	1.0877	1.0945	1.0945
H5	2.4893	3.3987	0.9589	4.2297		1.5237	5.2031	4.4847	4.1733
H6	2.4893	3.3987	0.9589	4.2297	1.5237		5.2031	4.1733	4.4847
H7	2.8173	2.0207	4.6917	1.0877	5.2031	5.2031		1.7636	1.7636
H8	2.3474	2.0938	3.7439	1.0945	4.4847	4.1733	1.7636		1.7697
H9	2.3474	2.0938	3.7439	1.0945	4.1733	4.4847	1.7636	1.7697

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	C4	107.916	H1	O3	H5	109.836
H1	O3	H6	109.836	O2	H1	O3	177.906
O2	C4	H7	107.329	O2	C4	H8	112.868
O2	C4	H9	112.868	H5	O3	H6	105.211
H7	C4	H8	107.835	H7	C4	H9	107.835
H8	C4	H9	107.883

All results from a given calculation for CH₃OHH₂O (methanol water 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 CH3OHH2O (methanol water dimer)

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

States and conformations

All results from a given calculation for CH₃OHH₂O (methanol water dimer)