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	hartrees
Energy at 0K	-231.483907
Energy at 298.15K	-231.491720
Nuclear repulsion energy	83.389340

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3895	3756	95.59
2	A	3660	3529	451.80
3	A	3144	3031	17.04
4	A	3143	3031	20.40
5	A	3057	2948	0.00
6	A	3053	2944	107.76
7	A	3004	2896	71.60
8	A	2994	2887	52.58
9	A	1629	1571	58.57
10	A	1518	1463	2.71
11	A	1500	1446	14.50
12	A	1497	1443	16.22
13	A	1492	1438	1.51
14	A	1487	1433	0.03
15	A	1465	1413	2.22
16	A	1270	1224	6.10
17	A	1194	1152	6.10
18	A	1191	1149	89.38
19	A	1162	1121	0.00
20	A	1114	1074	59.58
21	A	930	896	57.04
22	A	634	611	87.08
23	A	414	400	8.71
24	A	336	324	112.61
25	A	247	238	20.63
26	A	201	194	0.05
27	A	150	145	2.81
28	A	124	120	139.79
29	A	44	42	10.43
30	A	37	35	11.86

Atom	x (Å)	y (Å)	z (Å)
H1	1.485	0.000	-0.056
O2	2.437	0.000	0.156
O3	-0.410	0.000	-0.315
C4	-1.088	1.186	0.080
C5	-1.088	-1.186	0.080
H6	2.898	-0.000	-0.690
H7	-1.200	1.234	1.172
H8	-0.483	2.029	-0.257
H9	-2.083	1.241	-0.386
H10	-0.483	-2.029	-0.257
H11	-1.200	-1.234	1.172
H12	-2.083	-1.241	-0.386

	H1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11	H12
H1		0.9747	1.9133	2.8370	2.8370	1.5486	3.2005	2.8345	3.7922	2.8345	3.2005	3.7922
O2	0.9747		2.8858	3.7200	3.7200	0.9640	3.9727	3.5799	4.7180	3.5799	3.9727	4.7180
O3	1.9133	2.8858		1.4217	1.4217	3.3297	2.0873	2.0316	2.0839	2.0316	2.0873	2.0839
C4	2.8370	3.7200	1.4217		2.3714	4.2298	1.0994	1.0916	1.0993	3.2889	2.6571	2.6639
C5	2.8370	3.7200	1.4217	2.3714		4.2298	2.6571	3.2889	2.6639	1.0916	1.0994	1.0993
H6	1.5486	0.9640	3.3297	4.2298	4.2298		4.6677	3.9673	5.1420	3.9673	4.6677	5.1420
H7	3.2005	3.9727	2.0873	1.0994	2.6571	4.6677		1.7860	1.7911	3.6339	2.4675	3.0552
H8	2.8345	3.5799	2.0316	1.0916	3.2889	3.9673	1.7860		1.7877	4.0589	3.6339	3.6432
H9	3.7922	4.7180	2.0839	1.0993	2.6639	5.1420	1.7911	1.7877		3.6432	3.0552	2.4828
H10	2.8345	3.5799	2.0316	3.2889	1.0916	3.9673	3.6339	4.0589	3.6432		1.7860	1.7877
H11	3.2005	3.9727	2.0873	2.6571	1.0994	4.6677	2.4675	3.6339	3.0552	1.7860		1.7911
H12	3.7922	4.7180	2.0839	2.6639	1.0993	5.1420	3.0552	3.6432	2.4828	1.7877	1.7911

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H6	106.023	H1	O3	C4	115.790
H1	O3	C5	115.790	O2	H1	O3	175.201
O3	C4	H7	111.136	O3	C4	H8	107.141
O3	C4	H9	110.856	O3	C5	H10	107.141
O3	C5	H11	111.136	O3	C5	H12	110.856
C4	O3	C5	113.027	H7	C4	H8	109.209
H7	C4	H9	109.094	H8	C4	H9	109.363
H10	C5	H11	109.209	H10	C5	H12	109.362
H11	C5	H12	109.094

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

using model chemistry: B3LYP_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	-0.352
4	C	-0.222
5	C	-0.222
6	H	0.000
7	H	0.125
8	H	0.148
9	H	0.125
10	H	0.148
11	H	0.125
12	H	0.125

	x	y	z	Total
	-2.903	0.000	-1.161	3.126
CHELPG
AIM
ESP

	x	y	z
x	4.202	-0.000	0.021
y	-0.000	5.145	0.000
z	0.021	0.000	4.186

<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/6-31+G**

States and conformations

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