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	hartrees
Energy at 0K	-192.053380
Energy at 298.15K	-192.045969
HF Energy	-192.167698
Nuclear repulsion energy	80.958960

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3872	3737	53.00
2	A	3823	3689	32.27
3	A	3688	3558	238.45
4	A	3119	3010	24.40
5	A	3081	2973	34.25
6	A	3014	2909	44.63
7	A	1697	1638	50.07
8	A	1510	1458	3.69
9	A	1496	1444	3.33
10	A	1479	1427	1.67
11	A	1384	1336	28.22
12	A	1179	1138	0.64
13	A	1087	1049	5.76
14	A	1041	1005	104.71
15	A	623	601	135.70
16	A	494	477	18.44
17	A	270	261	195.62
18	A	197	190	2.54
19	A	153	148	96.36
20	A	113	109	4.31
21	A	99	96	29.58

Atom	x (Å)	y (Å)	z (Å)
H1	-1.121	0.363	0.141
O2	-1.933	-0.101	-0.119
O3	0.782	0.750	0.144
H4	-2.275	-0.453	0.708
H5	0.797	1.183	-0.716
C6	1.269	-0.581	-0.031
H7	2.243	-0.594	-0.534
H8	1.393	-1.004	0.970
H9	0.555	-1.199	-0.586

	H1	O2	O3	H4	H5	C6	H7	H8	H9
H1		0.9703	1.9417	1.5225	2.2545	2.5750	3.5621	2.9789	2.4034
O2	0.9703		2.8568	0.9615	3.0744	3.2384	4.2252	3.6139	2.7587
O3	1.9417	2.8568		3.3328	0.9627	1.4280	2.0983	2.0323	2.0942
H4	1.5225	0.9615	3.3328		3.7596	3.6218	4.6876	3.7182	3.1993
H5	2.2545	3.0744	0.9627	3.7596		1.9500	2.2984	2.8241	2.3977
C6	2.5750	3.2384	1.4280	3.6218	1.9500		1.0970	1.0928	1.0963
H7	3.5621	4.2252	2.0983	4.6876	2.2984	1.0970		1.7753	1.7945
H8	2.9789	3.6139	2.0323	3.7182	2.8241	1.0928	1.7753		1.7785
H9	2.4034	2.7587	2.0942	3.1993	2.3977	1.0963	1.7945	1.7785

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.365	H1	O3	H5	113.783
H1	O3	C6	107.767	O2	H1	O3	170.876
O3	C6	H7	112.054	O3	C6	H8	106.747
O3	C6	H9	112.623	H5	O3	C6	108.839
H7	C6	H8	108.394	H7	C6	H9	108.784
H8	C6	H9	108.067

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

using model chemistry: G4

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: G4

States and conformations

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