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	hartrees
Energy at 0K	-229.869448
Energy at 298.15K	-229.877395
Nuclear repulsion energy	81.673263

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3397	3366	27.72
2	A	3153	3125	235.97
3	A	3067	3039	13.49
4	A	3064	3036	18.93
5	A	2971	2944	37.04
6	A	2963	2936	88.47
7	A	2925	2899	56.14
8	A	2914	2887	44.47
9	A	1695	1679	35.66
10	A	1541	1526	1.01
11	A	1520	1506	19.19
12	A	1503	1490	19.33
13	A	1496	1482	0.42
14	A	1471	1458	1.35
15	A	1433	1419	2.43
16	A	1215	1204	0.45
17	A	1146	1136	1.09
18	A	1114	1104	29.34
19	A	1111	1101	8.36
20	A	1054	1044	55.71
21	A	871	863	26.28
22	A	692	685	164.91
23	A	400	397	8.30
24	A	365	362	103.70
25	A	258	255	4.68
26	A	243	240	6.09
27	A	169	167	3.15
28	A	128	127	101.72
29	A	55	55	10.78
30	A	36	35	2.70

Atom	x (Å)	y (Å)	z (Å)
H1	1.428	-0.353	0.074
O2	2.439	-0.232	0.135
O3	-0.362	-0.135	-0.175
C4	-0.617	1.296	0.014
C5	-1.578	-0.913	0.061
H6	2.758	-0.610	-0.742
H7	-1.006	1.515	1.030
H8	0.361	1.787	-0.115
H9	-1.338	1.686	-0.733
H10	-1.299	-1.969	-0.079
H11	-1.967	-0.770	1.090
H12	-2.381	-0.647	-0.658

	H1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11	H12
H1		1.0198	1.8203	2.6277	3.0573	1.5815	3.2138	2.3994	3.5299	3.1736	3.5686	3.8894
O2	1.0198		2.8195	3.4184	4.0742	1.0070	3.9647	2.9084	4.3239	4.1273	4.5403	4.9018
O3	1.8203	2.8195		1.4658	1.4623	3.2068	2.1418	2.0545	2.1402	2.0620	2.1402	2.1380
C4	2.6277	3.4184	1.4658		2.4097	3.9489	1.1097	1.1014	1.1092	3.3373	2.6930	2.7094
C5	3.0573	4.0742	1.4623	2.4097		4.4200	2.6759	3.3286	2.7283	1.1013	1.1100	1.1098
H6	1.5815	1.0070	3.2068	3.9489	4.4200		4.6716	3.4477	4.6956	4.3301	5.0710	5.1398
H7	3.2138	3.9647	2.1418	1.1097	2.6759	4.6716		1.8036	1.8021	3.6682	2.4797	3.0681
H8	2.3994	2.9084	2.0545	1.1014	3.3286	3.4477	1.8036		1.8103	4.1071	3.6623	3.7065
H9	3.5299	4.3239	2.1402	1.1092	2.7283	4.6956	1.8021	1.8103		3.7136	3.1232	2.5572
H10	3.1736	4.1273	2.0620	3.3373	1.1013	4.3301	3.6682	4.1071	3.7136		1.8036	1.8031
H11	3.5686	4.5403	2.1402	2.6930	1.1100	5.0710	2.4797	3.6623	3.1232	1.8036		1.8003
H12	3.8894	4.9018	2.1380	2.7094	1.1098	5.1398	3.0681	3.7065	2.5572	1.8031	1.8003

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H6	102.582	H1	O3	C4	105.686
H1	O3	C5	137.018	O2	H1	O3	165.592
O3	C4	H7	111.787	O3	C4	H8	105.433
O3	C4	H9	111.686	O3	C5	H10	106.238
O3	C5	H11	111.877	O3	C5	H12	111.713
C4	O3	C5	110.758	H7	C4	H8	109.315
H7	C4	H9	108.613	H8	C4	H9	109.956
H10	C5	H11	109.294	H10	C5	H12	109.272
H11	C5	H12	108.391

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

using model chemistry: PBEPBEultrafine_cp_opt/3-21G

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	-0.431
4	C	-0.377
5	C	-0.372
6	H	0.000
7	H	0.185
8	H	0.222
9	H	0.189
10	H	0.219
11	H	0.183
12	H	0.183

	x	y	z	Total
	-3.479	-0.152	-1.182	3.677
CHELPG
AIM
ESP

	x	y	z
x	3.978	0.585	-0.016
y	0.585	4.132	-0.021
z	-0.016	-0.021	3.400

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: PBEPBEultrafine_cp_opt/3-21G

States and conformations

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