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	hartrees
Energy at 0K	-231.560909
Energy at 298.15K	-231.569223
Counterpoise corrected energy	-231.561547
CP Energy at 298.15K	-231.569339
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	132.981014

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3740	3606	422.15
2	A	3641	3510	81.30
3	A	3119	3008	15.00
4	A	3118	3007	17.75
5	A	3042	2934	18.56
6	A	3034	2926	75.06
7	A	2993	2886	63.38
8	A	2983	2876	52.34
9	A	1665	1605	52.22
10	A	1513	1459	3.56
11	A	1501	1447	11.95
12	A	1494	1440	11.06
13	A	1492	1439	1.20
14	A	1489	1436	2.68
15	A	1465	1412	1.16
16	A	1272	1226	6.18
17	A	1202	1159	48.94
18	A	1182	1140	33.52
19	A	1165	1123	0.51
20	A	1112	1072	72.17
21	A	928	894	53.17
22	A	612	590	64.42
23	A	497	480	114.08
24	A	470	453	76.16
25	A	419	404	5.05
26	A	226	218	5.43
27	A	171	165	1.25
28	A	141	136	1.55
29	A	51	49	4.40
30	A	37	36	1.22

Atom	x (Å)	y (Å)	z (Å)
H1	1.516	-0.187	0.049
O2	2.479	-0.131	0.134
O3	-0.386	-0.060	-0.181
C4	-0.864	1.257	0.031
C5	-1.359	-1.060	0.052
H6	2.826	-0.284	-0.765
H7	-1.474	1.315	0.938
H8	0.002	1.906	0.144
H9	-1.463	1.597	-0.820
H10	-0.902	-2.019	-0.183
H11	-1.680	-1.060	1.099
H12	-2.236	-0.916	-0.588

	H1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11	H12
H1		0.9687	1.9196	2.7844	3.0043	1.5456	3.4617	2.5851	3.5794	3.0423	3.4750	3.8742
O2	0.9687		2.8830	3.6219	3.9497	0.9762	4.2850	3.2073	4.4087	3.8857	4.3692	4.8338
O3	1.9196	2.8830		1.4179	1.4146	3.2719	2.0799	2.0298	2.0772	2.0256	2.0764	2.0784
C4	2.7844	3.6219	1.4179		2.3699	4.0777	1.0942	1.0876	1.0946	3.2835	2.6789	2.6430
C5	3.0043	3.9497	1.4146	2.3699		4.3338	2.5375	3.2643	2.7983	1.0874	1.0948	1.0950
H6	1.5456	0.9762	3.2719	4.0777	4.3338		4.8931	3.6875	4.6833	4.1531	4.9374	5.1037
H7	3.4617	4.2850	2.0799	1.0942	2.5375	4.8931		1.7763	1.7809	3.5632	2.3894	2.8078
H8	2.5851	3.2073	2.0298	1.0876	3.2643	3.6875	1.7763		1.7807	4.0405	3.5404	3.6743
H9	3.5794	4.4087	2.0772	1.0946	2.7983	4.6833	1.7809	1.7807		3.7138	3.2846	2.6386
H10	3.0423	3.8857	2.0256	3.2835	1.0874	4.1531	3.5632	4.0405	3.7138		1.7792	1.7773
H11	3.4750	4.3692	2.0764	2.6789	1.0948	4.9374	2.3894	3.5404	3.2846	1.7792		1.7817
H12	3.8742	4.8338	2.0784	2.6430	1.0950	5.1037	2.8078	3.6743	2.6386	1.7773	1.7817

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H6	105.253	H1	O3	C4	112.215
H1	O3	C5	127.951	O2	H1	O3	172.642
O3	C4	H7	111.126	O3	C4	H8	107.496
O3	C4	H9	110.884	O3	C5	H10	107.390
O3	C5	H11	111.034	O3	C5	H12	111.184
C4	O3	C5	113.590	H7	C4	H8	109.012
H7	C4	H9	108.906	H8	C4	H9	109.378
H10	C5	H11	109.237	H10	C5	H12	109.048
H11	C5	H12	108.903

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

using model chemistry: B3LYP/6-311+G(3df,2pd)

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	0.375
2	O	-0.539
3	O	-0.634
4	C	0.138
5	C	0.160
6	H	0.176
7	H	0.050
8	H	0.069
9	H	0.051
10	H	0.055
11	H	0.053
12	H	0.046

	x	y	z	Total
	-2.979	0.008	-1.144	3.191
CHELPG
AIM
ESP

	x	y	z
x	6.648	0.107	-0.093
y	0.107	6.675	-0.025
z	-0.093	-0.025	5.604

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/6-311+G(3df,2pd)

States and conformations

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