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	hartrees
Energy at 0K	-228.809022
Energy at 298.15K	-228.817049
Nuclear repulsion energy	83.026644

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3903	3534	55.18
2	A	3724	3372	269.25
3	A	3295	2984	31.62
4	A	3292	2982	25.36
5	A	3231	2926	120.61
6	A	3228	2923	0.00
7	A	3187	2886	38.58
8	A	3178	2878	33.15
9	A	1841	1667	101.72
10	A	1700	1539	0.55
11	A	1685	1526	11.53
12	A	1678	1520	13.92
13	A	1669	1511	0.00
14	A	1654	1498	0.00
15	A	1610	1458	11.31
16	A	1368	1239	2.55
17	A	1288	1167	6.23
18	A	1281	1160	91.14
19	A	1257	1138	0.04
20	A	1187	1075	65.10
21	A	966	875	42.46
22	A	714	646	187.18
23	A	428	388	13.76
24	A	379	343	123.43
25	A	244	221	11.02
26	A	226	204	0.02
27	A	160	145	1.27
28	A	111	100	128.80
29	A	59	53	7.95
30	A	28	25	19.44

Atom	x (Å)	y (Å)	z (Å)
H1	1.521	-0.000	0.090
O2	2.495	-0.000	0.120
O3	-0.359	-0.000	-0.108
C4	-1.128	1.206	0.023
C5	-1.129	-1.206	0.023
H6	2.814	-0.000	-0.792
H7	-1.613	1.257	0.992
H8	-0.440	2.031	-0.076
H9	-1.885	1.272	-0.752
H10	-0.440	-2.031	-0.076
H11	-1.613	-1.256	0.993
H12	-1.885	-1.271	-0.752

	H1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11	H12
H1		0.9743	1.8901	2.9115	2.9116	1.5650	3.4946	2.8281	3.7315	2.8283	3.4947	3.7316
O2	0.9743		2.8626	3.8196	3.8198	0.9660	4.3829	3.5743	4.6429	3.5746	4.3831	4.6431
O3	1.8901	2.8626		1.4364	1.4364	3.2453	2.0887	2.0331	2.0881	2.0330	2.0887	2.0881
C4	2.9115	3.8196	1.4364		2.4113	4.2022	1.0848	1.0793	1.0850	3.3107	2.6901	2.7035
C5	2.9116	3.8198	1.4364	2.4113		4.2022	2.6901	3.3107	2.7035	1.0793	1.0848	1.0850
H6	1.5650	0.9660	3.2453	4.2022	4.2022		4.9352	3.9021	4.8678	3.9020	4.9352	4.8678
H7	3.4946	4.3829	2.0887	1.0848	2.6901	4.9352		1.7652	1.7655	3.6504	2.5131	3.0835
H8	2.8281	3.5743	2.0331	1.0793	3.3107	3.9021	1.7652		1.7668	4.0623	3.6503	3.6677
H9	3.7315	4.6429	2.0881	1.0850	2.7035	4.8678	1.7655	1.7668		3.6677	3.0835	2.5429
H10	2.8283	3.5746	2.0330	3.3107	1.0793	3.9020	3.6504	4.0623	3.6677		1.7652	1.7668
H11	3.4947	4.3831	2.0887	2.6901	1.0848	4.9352	2.5131	3.6503	3.0835	1.7652		1.7655
H12	3.7316	4.6431	2.0881	2.7035	1.0850	4.8678	3.0835	3.6677	2.5429	1.7668	1.7655

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H6	107.523	H1	O3	C4	121.549
H1	O3	C5	121.558	O2	H1	O3	175.744
O3	C4	H7	111.114	O3	C4	H8	106.973
O3	C4	H9	111.054	O3	C5	H10	106.973
O3	C5	H11	111.114	O3	C5	H12	111.054
C4	O3	C5	114.148	H7	C4	H8	109.303
H7	C4	H9	108.915	H8	C4	H9	109.444
H10	C5	H11	109.303	H10	C5	H12	109.444
H11	C5	H12	108.915

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

using model chemistry: HF_cp_opt/3-21G

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	-0.644
4	C	-0.254
5	C	-0.249
6	H	0.000
7	H	0.178
8	H	0.219
9	H	0.180
10	H	0.217
11	H	0.177
12	H	0.177

	x	y	z	Total
	-4.110	-0.001	-1.543	4.390
CHELPG
AIM
ESP

	x	y	z
x	3.458	0.462	0.002
y	0.462	3.811	-0.011
z	0.002	-0.011	3.169

<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/3-21G

States and conformations

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