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	hartrees
Energy at 0K	-231.561547
Energy at 298.15K	-231.569339
Nuclear repulsion energy	83.716539

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3897	3780	87.67
2	A	3674	3563	458.27
3	A	3123	3029	15.40
4	A	3122	3028	18.63
5	A	3039	2947	0.01
6	A	3034	2943	95.85
7	A	2991	2901	64.98
8	A	2982	2893	46.52
9	A	1647	1597	43.65
10	A	1514	1469	3.72
11	A	1499	1454	12.33
12	A	1495	1451	15.35
13	A	1491	1446	0.84
14	A	1486	1441	0.13
15	A	1463	1419	1.02
16	A	1273	1235	6.77
17	A	1195	1159	5.99
18	A	1189	1153	77.44
19	A	1163	1129	0.01
20	A	1112	1079	65.98
21	A	929	901	52.52
22	A	625	606	57.99
23	A	414	402	7.53
24	A	336	326	88.19
25	A	242	234	14.36
26	A	200	194	0.01
27	A	147	143	2.82
28	A	123	119	110.23
29	A	41	40	7.72
30	A	37	36	6.93

Atom	x (Å)	y (Å)	z (Å)
H1	1.497	-0.000	-0.052
O2	2.445	-0.000	0.153
O3	-0.404	-0.000	-0.293
C4	-1.093	1.181	0.073
C5	-1.094	-1.181	0.073
H6	2.890	-0.000	-0.697
H7	-1.247	1.230	1.156
H8	-0.481	2.024	-0.238
H9	-2.066	1.237	-0.426
H10	-0.481	-2.024	-0.238
H11	-1.247	-1.229	1.156
H12	-2.066	-1.237	-0.426

	H1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11	H12
H1		0.9702	1.9163	2.8496	2.8496	1.5354	3.2403	2.8361	3.7900	2.8363	3.2404	3.7900
O2	0.9702		2.8841	3.7312	3.7314	0.9597	4.0187	3.5794	4.7133	3.5796	4.0187	4.7135
O3	1.9163	2.8841		1.4158	1.4158	3.3190	2.0790	2.0264	2.0759	2.0264	2.0790	2.0759
C4	2.8496	3.7312	1.4158		2.3628	4.2256	1.0949	1.0872	1.0949	3.2783	2.6475	2.6541
C5	2.8496	3.7314	1.4158	2.3628		4.2257	2.6474	3.2783	2.6541	1.0872	1.0949	1.0949
H6	1.5354	0.9597	3.3190	4.2256	4.2257		4.6970	3.9587	5.1152	3.9590	4.6971	5.1153
H7	3.2403	4.0187	2.0790	1.0949	2.6474	4.6970		1.7781	1.7819	3.6217	2.4590	3.0428
H8	2.8361	3.5794	2.0264	1.0872	3.2783	3.9587	1.7781		1.7797	4.0484	3.6217	3.6308
H9	3.7900	4.7133	2.0759	1.0949	2.6541	5.1152	1.7819	1.7797		3.6308	3.0428	2.4740
H10	2.8363	3.5796	2.0264	3.2783	1.0872	3.9590	3.6217	4.0484	3.6308		1.7781	1.7797
H11	3.2404	4.0187	2.0790	2.6475	1.0949	4.6971	2.4590	3.6217	3.0428	1.7781		1.7819
H12	3.7900	4.7135	2.0759	2.6541	1.0949	5.1153	3.0428	3.6308	2.4740	1.7797	1.7819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H6	105.418	H1	O3	C4	116.757
H1	O3	C5	116.762	O2	H1	O3	175.031
O3	C4	H7	111.151	O3	C4	H8	107.385
O3	C4	H9	110.899	O3	C5	H10	107.385
O3	C5	H11	111.151	O3	C5	H12	110.898
C4	O3	C5	113.110	H7	C4	H8	109.149
H7	C4	H9	108.923	H8	C4	H9	109.295
H10	C5	H11	109.149	H10	C5	H12	109.295
H11	C5	H12	108.923

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

using model chemistry: B3LYP_cp_opt/6-311+G(3df,2pd)

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	0.000
2	O	0.000
3	O	-0.602
4	C	0.168
5	C	0.166
6	H	0.000
7	H	0.042
8	H	0.048
9	H	0.045
10	H	0.048
11	H	0.044
12	H	0.041

	x	y	z	Total
	-2.736	0.000	-1.043	2.928
CHELPG
AIM
ESP

	x	y	z
x	4.621	0.228	-0.026
y	0.228	5.663	-0.031
z	-0.026	-0.031	4.489

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP_cp_opt/6-311+G(3df,2pd)

States and conformations

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