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	hartrees
Energy at 0K	-231.195704
Energy at 298.15K	-231.203456
Nuclear repulsion energy	83.015396

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3797	3754	79.18
2	A	3514	3474	520.29
3	A	3084	3049	14.61
4	A	3083	3048	16.50
5	A	2992	2958	0.01
6	A	2985	2951	102.78
7	A	2933	2899	71.98
8	A	2924	2891	54.36
9	A	1593	1575	48.08
10	A	1468	1451	4.15
11	A	1448	1432	16.01
12	A	1442	1426	18.66
13	A	1436	1420	1.56
14	A	1433	1416	0.06
15	A	1412	1396	0.69
16	A	1224	1210	4.36
17	A	1153	1140	3.98
18	A	1147	1134	81.79
19	A	1122	1109	0.00
20	A	1083	1071	45.69
21	A	909	899	53.06
22	A	640	632	72.73
23	A	404	399	12.02
24	A	346	342	111.31
25	A	246	243	25.26
26	A	197	195	0.21
27	A	155	153	2.80
28	A	116	115	129.98
29	A	38	38	11.67
30	A	35	35	16.08

Atom	x (Å)	y (Å)	z (Å)
H1	1.434	-0.000	-0.104
O2	2.381	-0.000	0.168
O3	-0.428	-0.000	-0.390
C4	-1.056	1.185	0.101
C5	-1.057	-1.185	0.101
H6	2.886	-0.001	-0.663
H7	-1.018	1.231	1.208
H8	-0.501	2.038	-0.316
H9	-2.113	1.237	-0.228
H10	-0.502	-2.038	-0.315
H11	-1.019	-1.231	1.208
H12	-2.113	-1.237	-0.228

	H1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11	H12
H1		0.9850	1.8847	2.7658	2.7660	1.5554	3.0421	2.8189	3.7589	2.8192	3.0424	3.7591
O2	0.9850		2.8645	3.6365	3.6370	0.9717	3.7626	3.5631	4.6780	3.5639	3.7632	4.6784
O3	1.8847	2.8645		1.4280	1.4280	3.3256	2.1014	2.0407	2.0962	2.0407	2.1014	2.0962
C4	2.7658	3.6365	1.4280		2.3698	4.1868	1.1081	1.0996	1.1079	3.2968	2.6576	2.6628
C5	2.7660	3.6370	1.4280	2.3698		4.1869	2.6577	3.2968	2.6627	1.0996	1.1081	1.1079
H6	1.5554	0.9717	3.3256	4.1868	4.1869		4.5013	3.9686	5.1681	3.9687	4.5015	5.1681
H7	3.0421	3.7626	2.1014	1.1081	2.6577	4.5013		1.7996	1.8049	3.6435	2.4623	3.0577
H8	2.8189	3.5631	2.0407	1.0996	3.2968	3.9686	1.7996		1.8017	4.0761	3.6435	3.6510
H9	3.7589	4.6780	2.0962	1.1079	2.6627	5.1681	1.8049	1.8017		3.6510	3.0575	2.4739
H10	2.8192	3.5639	2.0407	3.2968	1.0996	3.9687	3.6435	4.0761	3.6510		1.7996	1.8016
H11	3.0424	3.7632	2.1014	2.6576	1.1081	4.5015	2.4623	3.6435	3.0575	1.7996		1.8049
H12	3.7591	4.6784	2.0962	2.6628	1.1079	5.1681	3.0577	3.6510	2.4739	1.8016	1.8049

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H6	105.287	H1	O3	C4	112.482
H1	O3	C5	112.497	O2	H1	O3	172.717
O3	C4	H7	111.284	O3	C4	H8	106.965
O3	C4	H9	110.872	O3	C5	H10	106.966
O3	C5	H11	111.284	O3	C5	H12	110.873
C4	O3	C5	112.151	H7	C4	H8	109.203
H7	C4	H9	109.069	H8	C4	H9	109.403
H10	C5	H11	109.204	H10	C5	H12	109.401
H11	C5	H12	109.068

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

using model chemistry: PBEPBE_cp_opt/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	0.000
2	O	0.000
3	O	-0.291
4	C	-0.315
5	C	-0.315
6	H	0.000
7	H	0.146
8	H	0.168
9	H	0.146
10	H	0.168
11	H	0.146
12	H	0.146

	x	y	z	Total
	-2.660	-0.001	-1.054	2.861
CHELPG
AIM
ESP

	x	y	z
x	4.391	-0.005	0.025
y	-0.005	5.404	-0.000
z	0.025	-0.000	4.384

<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/6-31+G**

States and conformations

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