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	hartrees
Energy at 0K	-231.441634
Energy at 298.15K	-231.449404
Nuclear repulsion energy	83.593283

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3812	3660	62.96
2	A	3639	3495	280.42
3	A	3145	3020	24.12
4	A	3144	3019	26.58
5	A	3053	2932	0.01
6	A	3050	2929	126.09
7	A	3008	2889	60.09
8	A	2996	2877	47.79
9	A	1741	1672	61.63
10	A	1547	1486	0.61
11	A	1527	1466	13.26
12	A	1520	1460	10.50
13	A	1518	1457	1.62
14	A	1510	1450	0.01
15	A	1485	1426	7.53
16	A	1283	1232	5.78
17	A	1211	1162	5.62
18	A	1208	1160	97.81
19	A	1174	1128	0.00
20	A	1131	1086	51.10
21	A	949	911	48.13
22	A	604	580	94.94
23	A	420	403	6.52
24	A	324	312	94.44
25	A	253	243	18.44
26	A	213	205	0.01
27	A	152	146	2.08
28	A	112	108	111.80
29	A	39	38	7.79
30	A	29	28	8.85

Atom	x (Å)	y (Å)	z (Å)
H1	1.513	-0.000	-0.020
O2	2.473	-0.000	0.157
O3	-0.422	-0.000	-0.320
C4	-1.098	1.178	0.081
C5	-1.099	-1.178	0.081
H6	2.866	-0.001	-0.728
H7	-1.208	1.228	1.175
H8	-0.496	2.026	-0.256
H9	-2.097	1.240	-0.377
H10	-0.498	-2.026	-0.256
H11	-1.209	-1.228	1.175
H12	-2.098	-1.239	-0.377

	H1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11	H12
H1		0.9759	1.9581	2.8660	2.8666	1.5268	3.2160	2.8632	3.8338	2.8642	3.2165	3.8343
O2	0.9759		2.9338	3.7606	3.7614	0.9680	4.0120	3.6181	4.7651	3.6194	4.0127	4.7658
O3	1.9581	2.9338		1.4161	1.4161	3.3130	2.0886	2.0284	2.0850	2.0284	2.0886	2.0850
C4	2.8660	3.7606	1.4161		2.3557	4.2134	1.1009	1.0927	1.1009	3.2771	2.6453	2.6555
C5	2.8666	3.7614	1.4161	2.3557		4.2138	2.6453	3.2771	2.6555	1.0928	1.1009	1.1009
H6	1.5268	0.9680	3.3130	4.2134	4.2138		4.6615	3.9539	5.1277	3.9547	4.6618	5.1281
H7	3.2160	4.0120	2.0886	1.1009	2.6453	4.6615		1.7863	1.7882	3.6253	2.4560	3.0472
H8	2.8632	3.6181	2.0284	1.0927	3.2771	3.9539	1.7863		1.7874	4.0520	3.6253	3.6386
H9	3.8338	4.7651	2.0850	1.1009	2.6555	5.1277	1.7882	1.7874		3.6386	3.0473	2.4789
H10	2.8642	3.6194	2.0284	3.2771	1.0928	3.9547	3.6253	4.0520	3.6386		1.7864	1.7874
H11	3.2165	4.0127	2.0886	2.6453	1.1009	4.6618	2.4560	3.6253	3.0473	1.7864		1.7882
H12	3.8343	4.7658	2.0850	2.6555	1.1009	5.1281	3.0472	3.6386	2.4789	1.7874	1.7882

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H6	103.519	H1	O3	C4	115.353
H1	O3	C5	115.390	O2	H1	O3	178.377
O3	C4	H7	111.545	O3	C4	H8	107.199
O3	C4	H9	111.249	O3	C5	H10	107.200
O3	C5	H11	111.545	O3	C5	H12	111.249
C4	O3	C5	112.563	H7	C4	H8	109.040
H7	C4	H9	108.616	H8	C4	H9	109.141
H10	C5	H11	109.040	H10	C5	H12	109.141
H11	C5	H12	108.615

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

using model chemistry: B3LYP_cp_opt/6-31G*

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	-0.451
4	C	-0.191
5	C	-0.191
6	H	0.000
7	H	0.128
8	H	0.160
9	H	0.130
10	H	0.158
11	H	0.128
12	H	0.128

	x	y	z	Total
	-2.925	-0.001	-1.108	3.128
CHELPG
AIM
ESP

	x	y	z
x	3.831	0.434	0.005
y	0.434	4.352	-0.025
z	0.005	-0.025	3.617

<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/6-31G*

States and conformations

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