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	hartrees
Energy at 0K	-230.083956
Energy at 298.15K	-230.091872
HF Energy	-230.083956
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	133.835834

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4162	3782	133.59
2	A	4035	3666	185.58
3	A	3324	3020	29.42
4	A	3312	3009	41.98
5	A	3241	2945	130.14
6	A	3239	2943	18.37
7	A	3194	2902	62.93
8	A	3181	2890	46.48
9	A	1850	1681	97.11
10	A	1668	1516	0.24
11	A	1652	1501	7.88
12	A	1651	1500	9.15
13	A	1649	1498	2.73
14	A	1639	1489	0.10
15	A	1613	1465	12.92
16	A	1406	1277	12.96
17	A	1341	1219	159.13
18	A	1317	1197	13.05
19	A	1280	1163	0.00
20	A	1230	1117	50.74
21	A	1035	941	56.96
22	A	582	529	176.51
23	A	446	405	5.10
24	A	290	264	81.33
25	A	254	231	40.34
26	A	210	191	0.40
27	A	145	132	29.91
28	A	137	124	100.89
29	A	54	50	9.62
30	A	30	28	2.66

Atom	x (Å)	y (Å)	z (Å)
H1	1.549	-0.347	0.079
O2	2.489	-0.211	0.133
O3	-0.434	-0.096	-0.212
C4	-0.692	1.255	0.034
C5	-1.508	-0.943	0.066
H6	2.815	-0.382	-0.740
H7	-0.967	1.420	1.073
H8	0.216	1.801	-0.180
H9	-1.492	1.622	-0.604
H10	-1.196	-1.953	-0.158
H11	-1.795	-0.884	1.113
H12	-2.371	-0.694	-0.547

	H1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11	H12
H1		0.9515	2.0200	2.7549	3.1151	1.5083	3.2311	2.5410	3.6868	3.1895	3.5413	3.9853
O2	0.9515		2.9460	3.5043	4.0647	0.9468	3.9362	3.0521	4.4449	4.0868	4.4463	4.9318
O3	2.0200	2.9460		1.3979	1.3958	3.3039	2.0576	2.0057	2.0558	2.0077	2.0567	2.0549
C4	2.7549	3.5043	1.3979		2.3452	3.9465	1.0872	1.0801	1.0873	3.2535	2.6383	2.6379
C5	3.1151	4.0647	1.3958	2.3452		4.4335	2.6243	3.2498	2.6511	1.0809	1.0874	1.0874
H6	1.5083	0.9468	3.3039	3.9465	4.4335		4.5648	3.4399	4.7524	4.3470	4.9938	5.1994
H7	3.2311	3.9362	2.0576	1.0872	2.6243	4.5648		1.7646	1.7685	3.5976	2.4484	3.0102
H8	2.5410	3.0521	2.0057	1.0801	3.2498	3.4399	1.7646		1.7690	4.0107	3.5951	3.6129
H9	3.6868	4.4449	2.0558	1.0873	2.6511	4.7524	1.7685	1.7690		3.6149	3.0534	2.4780
H10	3.1895	4.0868	2.0077	3.2535	1.0809	4.3470	3.5976	4.0107	3.6149		1.7658	1.7656
H11	3.5413	4.4463	2.0567	2.6383	1.0874	4.9938	2.4484	3.5951	3.0534	1.7658		1.7678
H12	3.9853	4.9318	2.0549	2.6379	1.0874	5.1994	3.0102	3.6129	2.4780	1.7656	1.7678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H6	105.219	H1	O3	C4	105.982
H1	O3	C5	130.672	O2	H1	O3	163.870
O3	C4	H7	111.170	O3	C4	H8	107.379
O3	C4	H9	111.009	O3	C5	H10	107.640
O3	C5	H11	111.237	O3	C5	H12	111.082
C4	O3	C5	114.170	H7	C4	H8	109.008
H7	C4	H9	108.831	H8	C4	H9	109.402
H10	C5	H11	109.051	H10	C5	H12	109.030
H11	C5	H12	108.753

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

using model chemistry: HF/TZVP

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	0.480
2	O	-0.922
3	O	-0.621
4	C	-0.173
5	C	-0.164
6	H	0.424
7	H	0.151
8	H	0.193
9	H	0.149
10	H	0.181
11	H	0.152
12	H	0.149

	x	y	z	Total
	-3.022	0.009	-1.189	3.247
CHELPG
AIM
ESP

	x	y	z
x	4.731	0.159	-0.114
y	0.159	4.418	0.048
z	-0.114	0.048	4.138

<r²>	140.434
(<r²>)^1/2	11.850

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

using model chemistry: HF/TZVP

States and conformations

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