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	hartrees
Energy at 0K	-231.408037
Energy at 298.15K	-231.416174
HF Energy	-231.408037
Nuclear repulsion energy	135.392725

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3986	3795	98.85
2	A	3715	3538	493.98
3	A	3173	3022	19.13
4	A	3172	3021	20.39
5	A	3092	2945	0.01
6	A	3086	2939	101.07
7	A	3026	2882	63.19
8	A	3019	2875	52.85
9	A	1642	1564	53.23
10	A	1531	1458	5.81
11	A	1514	1442	15.32
12	A	1513	1440	20.48
13	A	1503	1431	1.02
14	A	1499	1428	0.04
15	A	1473	1403	0.70
16	A	1283	1222	8.36
17	A	1226	1167	121.90
18	A	1211	1153	6.61
19	A	1176	1120	0.00
20	A	1138	1084	29.97
21	A	963	917	52.17
22	A	683	650	88.82
23	A	427	406	14.51
24	A	366	348	104.62
25	A	277	264	25.77
26	A	236	225	0.10
27	A	186	177	10.46
28	A	121	115	143.89
29	A	86	82	18.74
30	A	46	44	9.31

Atom	x (Å)	y (Å)	z (Å)
H1	1.529	-0.355	0.077
O2	2.484	-0.222	0.135
O3	-0.427	-0.095	-0.209
C4	-0.687	1.282	0.033
C5	-1.514	-0.962	0.063
H6	2.825	-0.376	-0.749
H7	-1.413	1.428	0.843
H8	0.254	1.754	0.320
H9	-1.069	1.775	-0.869
H10	-1.184	-1.971	-0.183
H11	-1.802	-0.925	1.122
H12	-2.394	-0.713	-0.546

	H1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11	H12
H1		0.9666	1.9932	2.7554	3.1026	1.5368	3.5244	2.4761	3.4905	3.1681	3.5376	3.9880
O2	0.9666		2.9340	3.5115	4.0669	0.9594	4.2912	2.9851	4.1982	4.0764	4.4549	4.9501
O3	1.9932	2.9340		1.4219	1.4167	3.3080	2.0972	2.0398	2.0851	2.0227	2.0863	2.0895
C4	2.7554	3.5115	1.4219		2.3911	3.9617	1.0969	1.0915	1.0971	3.2970	2.7018	2.6881
C5	3.1026	4.0669	1.4167	2.3911		4.4528	2.5160	3.2505	2.9255	1.0893	1.0985	1.0988
H6	1.5368	0.9594	3.3080	3.9617	4.4528		4.8732	3.5053	4.4505	4.3513	5.0213	5.2337
H7	3.5244	4.2912	2.0972	1.0969	2.5160	4.8732		1.7770	1.7800	3.5574	2.4017	2.7338
H8	2.4761	2.9851	2.0398	1.0915	3.2505	3.5053	1.7770		1.7795	4.0237	3.4709	3.7209
H9	3.4905	4.1982	2.0851	1.0971	2.9255	4.4505	1.7800	1.7795		3.8098	3.4345	2.8372
H10	3.1681	4.0764	2.0227	3.2970	1.0893	4.3513	3.5574	4.0237	3.8098		1.7830	1.7826
H11	3.5376	4.4549	2.0863	2.7018	1.0985	5.0213	2.4017	3.4709	3.4345	1.7830		1.7827
H12	3.9880	4.9501	2.0895	2.6881	1.0988	5.2337	2.7338	3.7209	2.8372	1.7826	1.7827

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H6	105.864	H1	O3	C4	106.372
H1	O3	C5	130.217	O2	H1	O3	163.838
O3	C4	H7	112.090	O3	C4	H8	107.770
O3	C4	H9	111.081	O3	C5	H10	106.907
O3	C5	H11	111.458	O3	C5	H12	111.706
C4	O3	C5	114.778	H7	C4	H8	108.587
H7	C4	H9	108.447	H8	C4	H9	108.788
H10	C5	H11	109.162	H10	C5	H12	109.105
H11	C5	H12	108.450

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

using model chemistry: wB97X-D/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	0.423
2	O	-0.780
3	O	-0.418
4	C	-0.248
5	C	-0.248
6	H	0.356
7	H	0.150
8	H	0.167
9	H	0.140
10	H	0.167
11	H	0.150
12	H	0.140

	x	y	z	Total
	-2.414	0.003	-0.923	2.584
CHELPG
AIM
ESP

	x	y	z
x	5.906	0.000	-0.077
y	0.000	5.805	0.000
z	-0.077	0.000	4.941

<r²>	129.144
(<r²>)^1/2	11.364

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

using model chemistry: wB97X-D/6-31+G**

States and conformations

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