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	hartrees
Energy at 0K	-231.425395
Energy at 298.15K	-231.433236
HF Energy	-231.425395
Nuclear repulsion energy	134.253971

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3823	3773	71.84
2	A	3558	3511	482.46
3	A	3072	3032	20.19
4	A	3071	3031	22.69
5	A	2983	2944	0.04
6	A	2978	2939	111.41
7	A	2933	2894	72.40
8	A	2923	2885	54.11
9	A	1639	1617	35.18
10	A	1483	1463	4.35
11	A	1466	1447	10.91
12	A	1463	1444	15.38
13	A	1457	1438	0.55
14	A	1454	1435	0.14
15	A	1432	1413	1.44
16	A	1243	1227	5.93
17	A	1172	1157	5.09
18	A	1151	1136	50.52
19	A	1140	1125	0.20
20	A	1077	1063	87.40
21	A	897	886	47.49
22	A	650	642	49.22
23	A	407	402	13.51
24	A	359	354	77.24
25	A	248	245	20.68
26	A	200	198	0.07
27	A	162	160	4.20
28	A	91	90	90.59
29	A	60	59	11.85
30	A	49	48	15.87

Atom	x (Å)	y (Å)	z (Å)
H1	1.408	0.000	-0.131
O2	2.336	0.000	0.170
O3	-0.465	0.000	-0.444
C4	-1.023	1.182	0.119
C5	-1.022	-1.183	0.119
H6	2.856	0.000	-0.641
H7	-0.846	1.225	1.204
H8	-0.530	2.030	-0.361
H9	-2.105	1.232	-0.071
H10	-0.529	-2.030	-0.360
H11	-0.846	-1.226	1.204
H12	-2.105	-1.232	-0.071

	H1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11	H12
H1		0.9756	1.8988	2.7145	2.7144	1.5348	2.8921	2.8160	3.7232	2.8157	2.8921	3.7231
O2	0.9756		2.8673	3.5612	3.5609	0.9630	3.5633	3.5521	4.6151	3.5514	3.5632	4.6148
O3	1.8988	2.8673		1.4235	1.4236	3.3261	2.0888	2.0332	2.0850	2.0332	2.0889	2.0850
C4	2.7145	3.5612	1.4235		2.3648	4.1251	1.1000	1.0917	1.0999	3.2855	2.6468	2.6526
C5	2.7144	3.5609	1.4236	2.3648		4.1249	2.6470	3.2856	2.6526	1.0917	1.1000	1.0999
H6	1.5348	0.9630	3.3261	4.1251	4.1249		4.3137	3.9576	5.1430	3.9569	4.3135	5.1427
H7	2.8921	3.5633	2.0888	1.1000	2.6470	4.3137		1.7873	1.7914	3.6259	2.4510	3.0412
H8	2.8160	3.5521	2.0332	1.0917	3.2856	3.9576	1.7873		1.7898	4.0608	3.6259	3.6343
H9	3.7232	4.6151	2.0850	1.0999	2.6526	5.1430	1.7914	1.7898		3.6343	3.0409	2.4638
H10	2.8157	3.5514	2.0332	3.2855	1.0917	3.9569	3.6259	4.0608	3.6343		1.7873	1.7898
H11	2.8921	3.5632	2.0889	2.6468	1.1000	4.3135	2.4510	3.6259	3.0409	1.7873		1.7914
H12	3.7231	4.6148	2.0850	2.6526	1.0999	5.1427	3.0412	3.6343	2.4638	1.7898	1.7914

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H6	105.007	H1	O3	C4	106.414
H1	O3	C5	130.154	O2	H1	O3	164.075
O3	C4	H7	111.961	O3	C4	H8	107.877
O3	C4	H9	111.091	O3	C5	H10	106.989
O3	C5	H11	111.448	O3	C5	H12	111.727
C4	O3	C5	114.743	H7	C4	H8	108.667
H7	C4	H9	108.429	H8	C4	H9	108.742
H10	C5	H11	109.247	H10	C5	H12	109.117
H11	C5	H12	108.267

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	0.410
2	O	-0.612
3	O	-0.589
4	C	-0.042
5	C	-0.042
6	H	0.210
7	H	0.116
8	H	0.112
9	H	0.105
10	H	0.112
11	H	0.116
12	H	0.105

	x	y	z	Total
	-2.282	-0.000	-0.782	2.412
CHELPG
AIM
ESP

	x	y	z
x	6.849	-0.000	-0.130
y	-0.000	6.971	0.000
z	-0.130	0.000	5.728

<r²>	132.176
(<r²>)^1/2	11.497

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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