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	hartrees
Energy at 0K	-230.192354
Energy at 298.15K	-230.200147
Counterpoise corrected energy	-230.191868
CP Energy at 298.15K	-230.199603
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	133.124055

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4225	3827	142.30
2	A	4083	3699	263.97
3	A	3256	2950	29.50
4	A	3254	2948	36.93
5	A	3181	2882	124.65
6	A	3180	2881	0.30
7	A	3140	2845	70.00
8	A	3127	2833	51.44
9	A	1772	1605	72.19
10	A	1637	1483	1.56
11	A	1625	1472	2.94
12	A	1622	1470	12.87
13	A	1621	1468	10.75
14	A	1611	1459	0.01
15	A	1590	1440	4.71
16	A	1395	1264	13.88
17	A	1329	1204	149.29
18	A	1305	1183	11.06
19	A	1268	1149	0.01
20	A	1218	1103	57.83
21	A	1027	930	55.69
22	A	578	524	88.07
23	A	443	401	5.85
24	A	307	278	85.23
25	A	253	230	13.51
26	A	197	178	0.00
27	A	127	115	1.30
28	A	112	101	118.13
29	A	38	35	6.44
30	A	33	30	6.60

Atom	x (Å)	y (Å)	z (Å)
H1	1.614	-0.011	0.029
O2	2.554	-0.006	0.130
O3	-0.420	-0.003	-0.186
C4	-1.127	1.175	0.044
C5	-1.150	-1.166	0.045
H6	2.912	-0.014	-0.738
H7	-1.465	1.234	1.075
H8	-0.465	2.003	-0.156
H9	-1.991	1.246	-0.611
H10	-0.505	-2.007	-0.155
H11	-1.489	-1.218	1.076
H12	-2.016	-1.220	-0.610

	H1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11	H12
H1		0.9452	2.0459	2.9871	2.9961	1.5074	3.4826	2.9008	3.8714	2.9171	3.4903	3.8790
O2	0.9452		2.9911	3.8669	3.8827	0.9393	4.3109	3.6375	4.7721	3.6667	4.3253	4.7859
O3	2.0459	2.9911		1.3925	1.3924	3.3778	2.0523	2.0066	2.0512	2.0066	2.0523	2.0512
C4	2.9871	3.8669	1.3925		2.3403	4.2828	1.0863	1.0794	1.0864	3.2483	2.6308	2.6367
C5	2.9961	3.8827	1.3924	2.3403		4.2945	2.6303	3.2483	2.6370	1.0795	1.0863	1.0864
H6	1.5074	0.9393	3.3778	4.2828	4.2945		4.8996	3.9766	5.0640	3.9985	4.9098	5.0748
H7	3.4826	4.3109	2.0523	1.0863	2.6303	4.8996		1.7622	1.7661	3.5975	2.4526	3.0274
H8	2.9008	3.6375	2.0066	1.0794	3.2483	3.9766	1.7622		1.7633	4.0107	3.5975	3.6058
H9	3.8714	4.7721	2.0512	1.0864	2.6370	5.0640	1.7661	1.7633		3.6058	3.0286	2.4666
H10	2.9171	3.6667	2.0066	3.2483	1.0795	3.9985	3.5975	4.0107	3.6058		1.7622	1.7632
H11	3.4903	4.3253	2.0523	2.6308	1.0863	4.9098	2.4526	3.5975	3.0286	1.7622		1.7661
H12	3.8790	4.7859	2.0512	2.6367	1.0864	5.0748	3.0274	3.6058	2.4666	1.7632	1.7661

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H6	106.247	H1	O3	C4	119.411
H1	O3	C5	120.039	O2	H1	O3	179.418
O3	C4	H7	111.176	O3	C4	H8	107.868
O3	C4	H9	111.075	O3	C5	H10	107.873
O3	C5	H11	111.179	O3	C5	H12	111.080
C4	O3	C5	114.354	H7	C4	H8	108.914
H7	C4	H9	108.754	H8	C4	H9	109.004
H10	C5	H11	108.912	H10	C5	H12	108.996
H11	C5	H12	108.751

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

using model chemistry: HF/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	0.360
2	O	-0.466
3	O	-0.816
4	C	0.351
5	C	0.352
6	H	0.124
7	H	0.016
8	H	0.022
9	H	0.011
10	H	0.021
11	H	0.016
12	H	0.011

	x	y	z	Total
	-2.908	-0.007	-1.212	3.151
CHELPG
AIM
ESP

	x	y	z
x	5.742	0.006	-0.079
y	0.006	5.959	0.000
z	-0.079	0.000	5.080

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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