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	hartrees
Energy at 0K	-192.161237
Energy at 298.15K	-192.166987
HF Energy	-192.161237
Nuclear repulsion energy	81.002273

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3839	3705	43.84
2	A	3792	3660	28.28
3	A	3630	3503	256.12
4	A	3126	3017	26.80
5	A	3080	2972	38.38
6	A	3011	2906	46.81
7	A	1709	1649	46.16
8	A	1523	1470	2.95
9	A	1509	1456	2.81
10	A	1480	1428	2.18
11	A	1387	1339	25.83
12	A	1176	1135	0.63
13	A	1082	1044	5.95
14	A	1032	996	103.04
15	A	628	606	130.68
16	A	513	495	21.60
17	A	279	270	192.97
18	A	200	193	1.96
19	A	132	128	90.17
20	A	109	105	5.76
21	A	97	94	28.33

Atom	x (Å)	y (Å)	z (Å)
H1	-1.103	0.336	0.164
O2	-1.923	-0.108	-0.120
O3	0.769	0.752	0.142
H4	-2.302	-0.431	0.705
H5	0.736	1.158	-0.734
C6	1.278	-0.575	-0.028
H7	2.251	-0.570	-0.534
H8	1.409	-0.983	0.976
H9	0.571	-1.206	-0.580

	H1	O2	O3	H4	H5	C6	H7	H8	H9
H1		0.9747	1.9177	1.5222	2.2056	2.5566	3.5443	2.9510	2.3950
O2	0.9747		2.8376	0.9637	3.0080	3.2357	4.2198	3.6145	2.7634
O3	1.9177	2.8376		3.3383	0.9656	1.4310	2.0982	2.0286	2.0958
H4	1.5222	0.9637	3.3383		3.7178	3.6569	4.7208	3.7610	3.2414
H5	2.2056	3.0080	0.9656	3.7178		1.9474	2.3068	2.8212	2.3745
C6	2.5566	3.2357	1.4310	3.6569	1.9474		1.0971	1.0923	1.0963
H7	3.5443	4.2198	2.0982	4.7208	2.3068	1.0971		1.7783	1.7968
H8	2.9510	3.6145	2.0286	3.7610	2.8212	1.0923	1.7783		1.7809
H9	2.3950	2.7634	2.0958	3.2414	2.3745	1.0963	1.7968	1.7809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	103.496	H1	O3	H5	93.942
H1	O3	C6	98.497	O2	H1	O3	156.367
O3	C6	H7	111.514	O3	C6	H8	106.246
O3	C6	H9	111.368	H5	O3	C6	107.096
H7	C6	H8	108.635	H7	C6	H9	110.015
H8	C6	H9	108.929

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

using model chemistry: TPSSh/6-31G(2df,p)

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: TPSSh/6-31G(2df,p)

States and conformations

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