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	hartrees
Energy at 0K	-230.197004
Energy at 298.15K	-230.204750
Nuclear repulsion energy	84.678006

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4199	3821	143.41
2	A	4057	3692	251.51
3	A	3256	2963	29.68
4	A	3254	2961	37.16
5	A	3181	2894	125.74
6	A	3180	2894	0.01
7	A	3141	2858	70.99
8	A	3128	2847	51.02
9	A	1764	1606	70.23
10	A	1635	1488	1.46
11	A	1623	1477	2.83
12	A	1621	1475	12.29
13	A	1619	1473	10.57
14	A	1609	1464	0.02
15	A	1588	1445	4.83
16	A	1394	1268	13.94
17	A	1326	1207	148.13
18	A	1303	1186	11.05
19	A	1267	1153	0.00
20	A	1216	1107	58.79
21	A	1025	932	55.73
22	A	554	505	83.49
23	A	442	402	5.70
24	A	292	266	81.32
25	A	251	228	18.46
26	A	196	178	0.02
27	A	121	110	1.33
28	A	109	99	116.12
29	A	39	35	6.27
30	A	29	26	7.31

Atom	x (Å)	y (Å)	z (Å)
H1	1.627	-0.014	0.013
O2	2.566	-0.007	0.128
O3	-0.418	-0.004	-0.165
C4	-1.131	1.177	0.038
C5	-1.162	-1.165	0.040
H6	2.939	-0.021	-0.734
H7	-1.506	1.238	1.056
H8	-0.459	2.004	-0.137
H9	-1.970	1.251	-0.648
H10	-0.513	-2.009	-0.135
H11	-1.538	-1.215	1.058
H12	-2.003	-1.217	-0.646

	H1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11	H12
H1		0.9458	2.0532	3.0041	3.0176	1.5098	3.5316	2.9056	3.8696	2.9299	3.5433	3.8809
O2	0.9458		2.9985	3.8828	3.9045	0.9402	4.3579	3.6418	4.7706	3.6816	4.3777	4.7895
O3	2.0532	2.9985		1.3941	1.3941	3.4053	2.0538	2.0080	2.0529	2.0081	2.0537	2.0529
C4	3.0041	3.8828	1.3941		2.3421	4.3126	1.0866	1.0798	1.0867	3.2505	2.6320	2.6381
C5	3.0176	3.9045	1.3941	2.3421		4.3275	2.6316	3.2504	2.6384	1.0798	1.0866	1.0867
H6	1.5098	0.9402	3.4053	4.3126	4.3275		4.9549	4.0004	5.0719	4.0281	4.9682	5.0857
H7	3.5316	4.3579	2.0538	1.0866	2.6316	4.9549		1.7627	1.7667	3.5991	2.4533	3.0285
H8	2.9056	3.6418	2.0080	1.0798	3.2504	4.0004	1.7627		1.7640	4.0134	3.5991	3.6077
H9	3.8696	4.7706	2.0529	1.0867	2.6384	5.0719	1.7667	1.7640		3.6077	3.0295	2.4677
H10	2.9299	3.6816	2.0081	3.2505	1.0798	4.0281	3.5991	4.0134	3.6077		1.7628	1.7639
H11	3.5433	4.3777	2.0537	2.6320	1.0866	4.9682	2.4533	3.5991	3.0295	1.7628		1.7666
H12	3.8809	4.7895	2.0529	2.6381	1.0867	5.0857	3.0285	3.6077	2.4677	1.7639	1.7666

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H6	106.361	H1	O3	C4	120.033
H1	O3	C5	120.985	O2	H1	O3	177.848
O3	C4	H7	111.162	O3	C4	H8	107.849
O3	C4	H9	111.084	O3	C5	H10	107.853
O3	C5	H11	111.165	O3	C5	H12	111.087
C4	O3	C5	114.279	H7	C4	H8	108.917
H7	C4	H9	108.761	H8	C4	H9	109.018
H10	C5	H11	108.918	H10	C5	H12	109.009
H11	C5	H12	108.759

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

using model chemistry: HF_cp_opt/aug-cc-pVTZ

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	-0.506
4	C	-0.764
5	C	-0.764
6	H	0.000
7	H	0.331
8	H	0.356
9	H	0.330
10	H	0.356
11	H	0.331
12	H	0.330

	x	y	z	Total
	-2.878	-0.012	-1.250	3.137
CHELPG
AIM
ESP

	x	y	z
x	4.262	0.013	-0.013
y	0.013	5.209	-0.000
z	-0.013	-0.000	4.216

<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/aug-cc-pVTZ

States and conformations

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