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	hartrees
Energy at 0K	-231.484980
Energy at 298.15K	-231.492892
Counterpoise corrected energy	-231.483907
CP Energy at 298.15K	-231.491720
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	133.769129

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3893	3753	94.57
2	A	3641	3511	489.36
3	A	3145	3032	17.34
4	A	3144	3032	19.64
5	A	3061	2951	0.02
6	A	3056	2947	104.65
7	A	3006	2898	70.15
8	A	2997	2889	53.53
9	A	1632	1573	51.65
10	A	1516	1461	3.79
11	A	1499	1446	13.83
12	A	1497	1444	16.47
13	A	1491	1437	1.48
14	A	1487	1433	0.04
15	A	1464	1411	2.06
16	A	1270	1224	6.72
17	A	1195	1152	5.81
18	A	1190	1148	88.24
19	A	1162	1120	0.00
20	A	1114	1074	61.96
21	A	929	896	55.50
22	A	675	651	80.26
23	A	415	400	10.27
24	A	356	343	102.12
25	A	250	241	24.51
26	A	200	193	0.10
27	A	166	160	2.12
28	A	122	118	132.37
29	A	51	49	11.66
30	A	46	44	14.30

Atom	x (Å)	y (Å)	z (Å)
H1	-1.438	-0.004	-0.079
O2	-2.384	-0.002	0.162
O3	0.416	-0.001	-0.355
C4	1.066	-1.184	0.092
C5	1.057	1.188	0.091
H6	-2.870	-0.007	-0.671
H7	1.091	-1.231	1.190
H8	0.492	-2.030	-0.291
H9	2.093	-1.235	-0.296
H10	0.477	2.029	-0.291
H11	1.083	1.235	1.189
H12	2.084	1.246	-0.297

	H1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11	H12
H1		0.9758	1.8743	2.7732	2.7705	1.5491	3.0842	2.8063	3.7457	2.8014	3.0819	3.7435
O2	0.9758		2.8468	3.6469	3.6414	0.9641	3.8263	3.5479	4.6657	3.5378	3.8211	4.6612
O3	1.8743	2.8468		1.4222	1.4223	3.3008	2.0870	2.0321	2.0833	2.0321	2.0870	2.0833
C4	2.7732	3.6469	1.4222		2.3719	4.1781	1.0992	1.0915	1.0992	3.2895	2.6561	2.6634
C5	2.7705	3.6414	1.4223	2.3719		4.1747	2.6563	3.2895	2.6632	1.0915	1.0992	1.0992
H6	1.5491	0.9641	3.3008	4.1781	4.1747		4.5442	3.9424	5.1263	3.9358	4.5412	5.1232
H7	3.0842	3.8263	2.0870	1.0992	2.6563	4.5442		1.7862	1.7918	3.6330	2.4652	3.0544
H8	2.8063	3.5479	2.0321	1.0915	3.2895	3.9424	1.7862		1.7876	4.0598	3.6330	3.6426
H9	3.7457	4.6657	2.0833	1.0992	2.6632	5.1263	1.7918	1.7876		3.6425	3.0536	2.4811
H10	2.8014	3.5378	2.0321	3.2895	1.0915	3.9358	3.6330	4.0598	3.6425		1.7862	1.7876
H11	3.0819	3.8211	2.0870	2.6561	1.0992	4.5412	2.4652	3.6330	3.0536	1.7862		1.7918
H12	3.7435	4.6612	2.0833	2.6634	1.0992	5.1232	3.0544	3.6426	2.4811	1.7876	1.7918

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H6	105.973	H1	O3	C4	113.843
H1	O3	C5	113.664	O2	H1	O3	174.144
O3	C4	H7	111.080	O3	C4	H8	107.142
O3	C4	H9	110.776	O3	C5	H10	107.140
O3	C5	H11	111.078	O3	C5	H12	110.774
C4	O3	C5	112.992	H7	C4	H8	109.243
H7	C4	H9	109.187	H8	C4	H9	109.371
H10	C5	H11	109.241	H10	C5	H12	109.375
H11	C5	H12	109.189

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

using model chemistry: B3LYP/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	0.430
2	O	-0.772
3	O	-0.422
4	C	-0.217
5	C	-0.217
6	H	0.343
7	H	0.139
8	H	0.156
9	H	0.132
10	H	0.156
11	H	0.139
12	H	0.132

	x	y	z	Total
	2.815	-0.005	-1.084	3.017
CHELPG
AIM
ESP

	x	y	z
x	6.087	-0.001	0.094
y	-0.001	6.028	-0.000
z	0.094	-0.000	5.071

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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