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	hartrees
Energy at 0K	-231.195326
Energy at 298.15K	-231.203448
Nuclear repulsion energy	135.195134

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3875	3686	72.75
2	A	3699	3518	248.25
3	A	3189	3033	8.07
4	A	3173	3018	23.99
5	A	3086	2935	21.23
6	A	3079	2928	95.14
7	A	3030	2881	61.20
8	A	3019	2871	47.19
9	A	1743	1658	74.52
10	A	1547	1471	1.30
11	A	1527	1452	14.80
12	A	1523	1448	13.61
13	A	1514	1440	2.72
14	A	1509	1435	1.42
15	A	1481	1408	2.30
16	A	1289	1226	4.05
17	A	1236	1176	119.85
18	A	1214	1155	7.23
19	A	1180	1122	0.06
20	A	1146	1090	24.11
21	A	980	932	50.05
22	A	670	637	208.85
23	A	424	403	3.28
24	A	300	286	77.66
25	A	259	246	30.13
26	A	225	214	3.77
27	A	185	176	88.14
28	A	175	166	15.42
29	A	103	98	11.16
30	A	48	45	2.48

Atom	x (Å)	y (Å)	z (Å)
H1	1.416	-0.517	0.110
O2	2.364	-0.301	0.141
O3	-0.414	-0.148	-0.228
C4	-0.453	1.237	0.028
C5	-1.627	-0.789	0.074
H6	2.658	-0.457	-0.764
H7	-0.740	1.443	1.070
H8	0.557	1.613	-0.143
H9	-1.165	1.744	-0.640
H10	-1.500	-1.851	-0.147
H11	-1.892	-0.671	1.136
H12	-2.451	-0.392	-0.537

	H1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11	H12
H1		0.9729	1.8971	2.5646	3.0554	1.5205	3.0678	2.3112	3.5123	3.2170	3.4669	3.9230
O2	0.9729		2.8065	3.2115	4.0214	0.9644	3.6794	2.6478	4.1525	4.1735	4.3865	4.8636
O3	1.8971	2.8065		1.4094	1.4048	3.1342	2.0792	2.0133	2.0774	2.0215	2.0780	2.0749
C4	2.5646	3.2115	1.4094		2.3422	3.6303	1.1003	1.0913	1.1000	3.2657	2.6343	2.6393
C5	3.0554	4.0214	1.4048	2.3422		4.3795	2.6002	3.2541	2.6726	1.0923	1.1007	1.1004
H6	1.5205	0.9644	3.1342	3.6303	4.3795		4.3038	3.0147	4.4133	4.4294	4.9360	5.1152
H7	3.0678	3.6794	2.0792	1.1003	2.6002	4.3038		1.7843	1.7879	3.5932	2.4086	2.9798
H8	2.3112	2.6478	2.0133	1.0913	3.2541	3.0147	1.7843		1.7963	4.0293	3.5852	3.6365
H9	3.5123	4.1525	2.0774	1.1000	2.6726	4.4133	1.7879	1.7963		3.6448	3.0853	2.4959
H10	3.2170	4.1735	2.0215	3.2657	1.0923	4.4294	3.5932	4.0293	3.6448		1.7865	1.7853
H11	3.4669	4.3865	2.0780	2.6343	1.1007	4.9360	2.4086	3.5852	3.0853	1.7865		1.7862
H12	3.9230	4.8636	2.0749	2.6393	1.1004	5.1152	2.9798	3.6365	2.4959	1.7853	1.7862

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H6	103.410	H1	O3	C4	100.689
H1	O3	C5	134.909	O2	H1	O3	154.471
O3	C4	H7	111.294	O3	C4	H8	106.546
O3	C4	H9	111.157	O3	C5	H10	107.437
O3	C5	H11	111.497	O3	C5	H12	111.255
C4	O3	C5	112.669	H7	C4	H8	109.007
H7	C4	H9	108.689	H8	C4	H9	110.116
H10	C5	H11	109.102	H10	C5	H12	109.013
H11	C5	H12	108.488

All results from a given calculation for H₂OCH₃OCH₃ (water dimethylether dimer)

using model chemistry: HSEh1PBE/6-31G*

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	0.428
2	O	-0.845
3	O	-0.470
4	C	-0.274
5	C	-0.261
6	H	0.390
7	H	0.160
8	H	0.203
9	H	0.159
10	H	0.188
11	H	0.162
12	H	0.160

	x	y	z	Total
	-2.762	0.084	-1.129	2.985
CHELPG
AIM
ESP

	x	y	z
x	5.344	0.177	-0.132
y	0.177	4.753	0.031
z	-0.132	0.031	4.360

<r²>	133.045
(<r²>)^1/2	11.535

All results from a given calculation for H2OCH3OCH3 (water dimethylether dimer)

using model chemistry: HSEh1PBE/6-31G*

States and conformations

All results from a given calculation for H₂OCH₃OCH₃ (water dimethylether dimer)