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	hartrees
Energy at 0K	-191.635212
Energy at 298.15K	-191.640559
Nuclear repulsion energy	40.112968

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3978	3742	124.94
2	A	3895	3664	45.98
3	A	3776	3552	269.54
4	A	3263	3069	15.77
5	A	3205	3015	37.99
6	A	3119	2933	49.86
7	A	1651	1553	68.52
8	A	1560	1468	4.33
9	A	1549	1457	2.69
10	A	1524	1433	7.66
11	A	1379	1297	23.66
12	A	1200	1129	0.64
13	A	1088	1023	12.90
14	A	1061	998	130.44
15	A	602	567	142.24
16	A	364	342	76.68
17	A	297	279	179.72
18	A	169	159	3.75
19	A	125	118	154.41
20	A	47	44	20.78
21	A	38	36	19.04

Atom	x (Å)	y (Å)	z (Å)
H1	1.231	0.189	-0.012
O2	2.110	-0.206	0.099
O3	-0.698	0.679	-0.090
H4	2.649	0.153	-0.613
H5	-1.011	1.320	0.559
C6	-1.510	-0.502	-0.002
H7	-2.550	-0.282	-0.245
H8	-1.110	-1.196	-0.733
H9	-1.449	-0.953	0.988

	H1	O2	O3	H4	H5	C6	H7	H8	H9
H1		0.9703	1.9921	1.5403	2.5755	2.8267	3.8171	2.8144	3.0801
O2	0.9703		2.9507	0.9623	3.5049	3.6336	4.6732	3.4704	3.7439
O3	1.9921	2.9507		3.4282	0.9648	1.4353	2.0915	2.0247	2.0949
H4	1.5403	0.9623	3.4282		4.0164	4.2540	5.2295	3.9954	4.5364
H5	2.5755	3.5049	0.9648	4.0164		1.9707	2.3623	2.8309	2.3544
C6	2.8267	3.6336	1.4353	4.2540	1.9707		1.0901	1.0850	1.0901
H7	3.8171	4.6732	2.0915	5.2295	2.3623	1.0901		1.7741	1.7841
H8	2.8144	3.4704	2.0247	3.9954	2.8309	1.0850	1.7741		1.7716
H9	3.0801	3.7439	2.0949	4.5364	2.3544	1.0901	1.7841	1.7716

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	105.700	H1	O3	H5	116.810
H1	O3	C6	110.064	O2	H1	O3	169.175
O3	C6	H7	111.086	O3	C6	H8	106.075
O3	C6	H9	111.370	H5	O3	C6	108.807
H7	C6	H8	109.306	H7	C6	H9	109.825
H8	C6	H9	109.079

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

using model chemistry: MP2_cp_opt/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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Number	Element	Mulliken
1	H	0.000
2	O	0.000
3	O	-0.612
4	H	0.000
5	H	0.353
6	C	-0.094
7	H	0.109
8	H	0.135
9	H	0.109

	x	y	z	Total
	-2.760	1.067	-0.323	2.976
CHELPG
AIM
ESP

	x	y	z
x	2.554	0.149	-0.002
y	0.149	2.765	0.049
z	-0.002	0.049	2.487

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: MP2_cp_opt/6-31+G**

States and conformations

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