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	hartrees
Energy at 0K	-230.191868
Energy at 298.15K	-230.199603
Nuclear repulsion energy	84.753118

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4225	3844	143.24
2	A	4086	3718	252.83
3	A	3255	2963	29.70
4	A	3253	2961	37.29
5	A	3180	2894	124.97
6	A	3179	2893	0.52
7	A	3140	2857	69.46
8	A	3127	2845	51.22
9	A	1766	1607	70.02
10	A	1637	1490	1.58
11	A	1625	1479	2.85
12	A	1622	1476	12.85
13	A	1621	1475	10.83
14	A	1611	1466	0.01
15	A	1590	1447	4.71
16	A	1395	1270	13.78
17	A	1330	1210	149.49
18	A	1306	1188	11.08
19	A	1268	1154	0.00
20	A	1218	1109	57.18
21	A	1027	935	54.89
22	A	554	504	89.15
23	A	443	403	5.67
24	A	292	266	83.26
25	A	252	229	20.18
26	A	197	180	0.01
27	A	120	109	1.42
28	A	110	100	120.68
29	A	38	35	6.86
30	A	29	26	7.05

Atom	x (Å)	y (Å)	z (Å)
H1	1.630	-0.009	0.009
O2	2.567	-0.005	0.131
O3	-0.426	-0.003	-0.184
C4	-1.134	1.174	0.044
C5	-1.156	-1.166	0.045
H6	2.945	-0.017	-0.729
H7	-1.475	1.234	1.073
H8	-0.472	2.003	-0.155
H9	-1.996	1.245	-0.614
H10	-0.509	-2.007	-0.153
H11	-1.497	-1.219	1.075
H12	-2.019	-1.221	-0.612

	H1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11	H12
H1		0.9448	2.0652	3.0073	3.0169	1.5076	3.5100	2.9145	3.8874	2.9317	3.5185	3.8954
O2	0.9448		3.0096	3.8856	3.9008	0.9393	4.3315	3.6536	4.7897	3.6815	4.3456	4.8028
O3	2.0652	3.0096		1.3923	1.3922	3.4144	2.0522	2.0065	2.0512	2.0065	2.0522	2.0511
C4	3.0073	3.8856	1.3923		2.3401	4.3188	1.0863	1.0794	1.0865	3.2481	2.6308	2.6367
C5	3.0169	3.9008	1.3922	2.3401		4.3284	2.6306	3.2480	2.6368	1.0795	1.0863	1.0865
H6	1.5076	0.9393	3.4144	4.3188	4.3284		4.9342	4.0101	5.1007	4.0279	4.9427	5.1094
H7	3.5100	4.3315	2.0522	1.0863	2.6306	4.9342		1.7621	1.7661	3.5976	2.4531	3.0279
H8	2.9145	3.6536	2.0065	1.0794	3.2480	4.0101	1.7621		1.7633	4.0104	3.5976	3.6057
H9	3.8874	4.7897	2.0512	1.0865	2.6368	5.1007	1.7661	1.7633		3.6057	3.0284	2.4665
H10	2.9317	3.6815	2.0065	3.2481	1.0795	4.0279	3.5976	4.0104	3.6057		1.7621	1.7633
H11	3.5185	4.3456	2.0522	2.6308	1.0863	4.9427	2.4531	3.5976	3.0284	1.7621		1.7661
H12	3.8954	4.8028	2.0511	2.6367	1.0865	5.1094	3.0279	3.6057	2.4665	1.7633	1.7661

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H6	106.292	H1	O3	C4	119.594
H1	O3	C5	120.266	O2	H1	O3	177.917
O3	C4	H7	111.183	O3	C4	H8	107.870
O3	C4	H9	111.087	O3	C5	H10	107.874
O3	C5	H11	111.187	O3	C5	H12	111.092
C4	O3	C5	114.364	H7	C4	H8	108.903
H7	C4	H9	108.747	H8	C4	H9	109.001
H10	C5	H11	108.901	H10	C5	H12	108.994
H11	C5	H12	108.744

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

using model chemistry: HF_cp_opt/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	0.000
2	O	0.000
3	O	-0.788
4	C	0.368
5	C	0.368
6	H	0.000
7	H	0.007
8	H	0.013
9	H	0.007
10	H	0.013
11	H	0.007
12	H	0.007

	x	y	z	Total
	-2.855	-0.011	-1.234	3.110
CHELPG
AIM
ESP

	x	y	z
x	4.140	0.009	-0.010
y	0.009	5.106	-0.000
z	-0.010	-0.000	4.109

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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