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	hartrees
Energy at 0K	-231.270460
Energy at 298.15K	-231.278211
Nuclear repulsion energy	83.335719

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3797	3759	70.39
2	A	3528	3493	515.64
3	A	3063	3032	13.76
4	A	3062	3032	15.67
5	A	2973	2943	0.02
6	A	2966	2936	94.40
7	A	2921	2891	66.22
8	A	2912	2883	47.89
9	A	1610	1594	34.80
10	A	1460	1446	4.50
11	A	1443	1429	13.18
12	A	1437	1422	16.80
13	A	1430	1416	0.71
14	A	1428	1414	0.11
15	A	1406	1392	0.25
16	A	1225	1213	5.55
17	A	1151	1140	4.42
18	A	1143	1132	74.75
19	A	1121	1110	0.02
20	A	1081	1070	49.19
21	A	909	900	49.37
22	A	628	621	48.25
23	A	401	397	9.02
24	A	343	340	84.73
25	A	239	236	17.29
26	A	202	200	0.04
27	A	152	150	3.40
28	A	113	112	100.96
29	A	47	47	8.11
30	A	36	35	8.40

Atom	x (Å)	y (Å)	z (Å)
H1	1.453	-0.001	-0.086
O2	2.401	-0.001	0.165
O3	-0.417	-0.000	-0.363
C4	-1.067	1.180	0.093
C5	-1.069	-1.180	0.093
H6	2.875	-0.000	-0.679
H7	-1.094	1.221	1.196
H8	-0.493	2.034	-0.286
H9	-2.101	1.234	-0.292
H10	-0.496	-2.034	-0.286
H11	-1.095	-1.221	1.196
H12	-2.102	-1.232	-0.292

	H1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11	H12
H1		0.9807	1.8902	2.7883	2.7890	1.5413	3.1017	2.8223	3.7671	2.8238	3.1022	3.7677
O2	0.9807		2.8668	3.6640	3.6650	0.9678	3.8432	3.5662	4.6898	3.5681	3.8439	4.6906
O3	1.8902	2.8668		1.4222	1.4222	3.3075	2.0927	2.0368	2.0884	2.0368	2.0927	2.0884
C4	2.7883	3.6640	1.4222		2.3596	4.1869	1.1043	1.0959	1.1042	3.2862	2.6425	2.6526
C5	2.7890	3.6650	1.4222	2.3596		4.1881	2.6424	3.2862	2.6528	1.0959	1.1043	1.1042
H6	1.5413	0.9678	3.3075	4.1869	4.1881		4.5566	3.9547	5.1411	3.9570	4.5574	5.1422
H7	3.1017	3.8432	2.0927	1.1043	2.6424	4.5566		1.7933	1.7966	3.6264	2.4424	3.0411
H8	2.8223	3.5662	2.0368	1.0959	3.2862	3.9547	1.7933		1.7951	4.0677	3.6264	3.6403
H9	3.7671	4.6898	2.0884	1.1042	2.6528	5.1411	1.7966	1.7951		3.6403	3.0416	2.4656
H10	2.8238	3.5681	2.0368	3.2862	1.0959	3.9570	3.6264	4.0677	3.6403		1.7933	1.7952
H11	3.1022	3.8439	2.0927	2.6425	1.1043	4.5574	2.4424	3.6264	3.0416	1.7933		1.7966
H12	3.7677	4.6906	2.0884	2.6526	1.1042	5.1422	3.0411	3.6403	2.4656	1.7952	1.7966

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H6	104.564	H1	O3	C4	113.908
H1	O3	C5	113.956	O2	H1	O3	173.638
O3	C4	H7	111.228	O3	C4	H8	107.258
O3	C4	H9	110.886	O3	C5	H10	107.258
O3	C5	H11	111.227	O3	C5	H12	110.884
C4	O3	C5	112.105	H7	C4	H8	109.186
H7	C4	H9	108.881	H8	C4	H9	109.365
H10	C5	H11	109.186	H10	C5	H12	109.366
H11	C5	H12	108.881

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

using model chemistry: PBEPBE_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	-0.598
4	C	0.222
5	C	0.221
6	H	0.000
7	H	0.024
8	H	0.030
9	H	0.024
10	H	0.030
11	H	0.024
12	H	0.024

	x	y	z	Total
	-2.555	0.001	-0.945	2.724
CHELPG
AIM
ESP

	x	y	z
x	4.765	0.016	-0.045
y	0.016	5.987	-0.001
z	-0.045	-0.001	4.738

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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