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	hartrees
Energy at 0K	-231.351989
Energy at 298.15K	-231.360009
HF Energy	-231.351989
Nuclear repulsion energy	133.077167

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3651	3621	51.22
2	A	3493	3464	189.10
3	A	3081	3056	8.25
4	A	3059	3034	27.93
5	A	2965	2941	43.05
6	A	2956	2932	95.02
7	A	2923	2900	73.03
8	A	2909	2886	53.07
9	A	1701	1687	64.25
10	A	1507	1495	0.47
11	A	1488	1476	12.83
12	A	1482	1470	9.45
13	A	1472	1460	2.04
14	A	1466	1454	2.25
15	A	1439	1427	6.80
16	A	1242	1232	1.21
17	A	1172	1162	6.56
18	A	1154	1144	55.53
19	A	1137	1128	0.06
20	A	1075	1066	77.32
21	A	895	888	44.00
22	A	647	641	200.17
23	A	407	404	2.99
24	A	285	283	69.25
25	A	256	254	32.77
26	A	224	222	4.02
27	A	191	190	77.33
28	A	165	164	1.17
29	A	106	105	9.83
30	A	52	52	1.95

Atom	x (Å)	y (Å)	z (Å)
H1	1.528	-0.377	0.078
O2	2.496	-0.243	0.138
O3	-0.433	-0.098	-0.213
C4	-0.659	1.299	0.034
C5	-1.546	-0.956	0.064
H6	2.809	-0.385	-0.773
H7	-1.383	1.471	0.851
H8	0.307	1.738	0.321
H9	-1.029	1.817	-0.870
H10	-1.229	-1.978	-0.181
H11	-1.844	-0.916	1.130
H12	-2.433	-0.699	-0.546

	H1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11	H12
H1		0.9788	2.0019	2.7558	3.1279	1.5376	3.5342	2.4542	3.5003	3.1984	3.5735	4.0232
O2	0.9788		2.9532	3.5134	4.1046	0.9736	4.3007	2.9580	4.2057	4.1210	4.5024	4.9974
O3	2.0019	2.9532		1.4362	1.4326	3.3024	2.1207	2.0500	2.1104	2.0420	2.1132	2.1156
C4	2.7558	3.5134	1.4362		2.4230	3.9391	1.1049	1.0995	1.1063	3.3328	2.7405	2.7346
C5	3.1279	4.1046	1.4326	2.4230		4.4711	2.5567	3.2798	2.9717	1.0977	1.1072	1.1072
H6	1.5376	0.9736	3.3024	3.9391	4.4711		4.8641	3.4588	4.4262	4.3807	5.0551	5.2569
H7	3.5342	4.3007	2.1207	1.1049	2.5567	4.8641		1.7918	1.7910	3.6036	2.4475	2.7867
H8	2.4542	2.9580	2.0500	1.0995	3.2798	3.4588	1.7918		1.7916	4.0520	3.5112	3.7688
H9	3.5003	4.2057	2.1104	1.1063	2.9717	4.4262	1.7910	1.7916		3.8623	3.4838	2.9004
H10	3.1984	4.1210	2.0420	3.3328	1.0977	4.3807	3.6036	4.0520	3.8623		1.7957	1.7940
H11	3.5735	4.5024	2.1132	2.7405	1.1072	5.0551	2.4475	3.5112	3.4838	1.7957		1.7893
H12	4.0232	4.9974	2.1156	2.7346	1.1072	5.2569	2.7867	3.7688	2.9004	1.7940	1.7893

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H6	103.913	H1	O3	C4	105.372
H1	O3	C5	130.481	O2	H1	O3	163.410
O3	C4	H7	112.488	O3	C4	H8	107.142
O3	C4	H9	111.554	O3	C5	H10	106.860
O3	C5	H11	111.981	O3	C5	H12	112.172
C4	O3	C5	115.256	H7	C4	H8	108.743
H7	C4	H9	108.188	H8	C4	H9	108.629
H10	C5	H11	109.051	H10	C5	H12	108.904
H11	C5	H12	107.805

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

using model chemistry: BLYP/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	0.387
2	O	-0.774
3	O	-0.420
4	C	-0.190
5	C	-0.178
6	H	0.356
7	H	0.126
8	H	0.164
9	H	0.125
10	H	0.149
11	H	0.128
12	H	0.126

	x	y	z	Total
	-2.709	0.120	-1.094	2.924
CHELPG
AIM
ESP

	x	y	z
x	5.767	0.194	-0.160
y	0.194	5.049	0.023
z	-0.160	0.023	4.526

<r²>	137.269
(<r²>)^1/2	11.716

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

using model chemistry: BLYP/6-31G*

States and conformations

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