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	hartrees
Energy at 0K	-191.646911
Energy at 298.15K	-191.652713
HF Energy	-191.103723
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	81.257231

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3956	3760	72.79
2	A	3870	3678	27.95
3	A	3771	3583	190.86
4	A	3222	3061	19.39
5	A	3155	2999	45.58
6	A	3076	2923	44.06
7	A	1781	1692	84.21
8	A	1554	1477	5.71
9	A	1541	1464	6.15
10	A	1530	1454	3.51
11	A	1412	1342	34.93
12	A	1204	1144	0.23
13	A	1103	1048	32.98
14	A	1079	1026	103.91
15	A	714	678	229.57
16	A	456	434	64.08
17	A	303	288	177.18
18	A	219	208	3.40
19	A	173	164	160.06
20	A	113	107	9.24
21	A	49	47	36.80

Atom	x (Å)	y (Å)	z (Å)
H1	-1.108	0.334	0.163
O2	-1.921	-0.107	-0.118
O3	0.770	0.749	0.141
H4	-2.348	-0.430	0.677
H5	0.745	1.169	-0.724
C6	1.280	-0.575	-0.028
H7	2.261	-0.567	-0.510
H8	1.387	-0.989	0.973
H9	0.587	-1.197	-0.598

	H1	O2	O3	H4	H5	C6	H7	H8	H9
H1		0.9662	1.9240	1.5441	2.2174	2.5623	3.5517	2.9379	2.4074
O2	0.9662		2.8357	0.9582	3.0166	3.2358	4.2249	3.5928	2.7759
O3	1.9240	2.8357		3.3764	0.9616	1.4286	2.0921	2.0228	2.0896
H4	1.5441	0.9582	3.3764		3.7526	3.6983	4.7610	3.7880	3.2903
H5	2.2174	3.0166	0.9616	3.7526		1.9526	2.3146	2.8191	2.3744
C6	2.5623	3.2358	1.4286	3.6983	1.9526		1.0932	1.0883	1.0924
H7	3.5517	4.2249	2.0921	4.7610	2.3146	1.0932		1.7726	1.7908
H8	2.9379	3.5928	2.0228	3.7880	2.8191	1.0883	1.7726		1.7763
H9	2.4074	2.7759	2.0896	3.2903	2.3744	1.0924	1.7908	1.7763

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	106.721	H1	O3	H5	94.505
H1	O3	C6	98.608	O2	H1	O3	156.380
O3	C6	H7	111.425	O3	C6	H8	106.185
O3	C6	H9	111.274	H5	O3	C6	107.959
H7	C6	H8	108.697	H7	C6	H9	110.043
H8	C6	H9	109.089

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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