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	hartrees
Energy at 0K	-230.082293
Energy at 298.15K	-230.090079
Nuclear repulsion energy	84.594128

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4161	3738	120.95
2	A	4027	3618	204.49
3	A	3313	2976	39.69
4	A	3311	2975	41.81
5	A	3239	2910	150.18
6	A	3237	2908	0.01
7	A	3193	2869	59.69
8	A	3179	2857	47.80
9	A	1853	1665	98.44
10	A	1669	1499	0.05
11	A	1651	1484	9.37
12	A	1651	1484	1.49
13	A	1650	1483	7.73
14	A	1638	1472	0.00
15	A	1613	1450	14.56
16	A	1406	1264	15.03
17	A	1341	1205	159.70
18	A	1317	1183	13.04
19	A	1280	1150	0.00
20	A	1231	1106	50.73
21	A	1037	932	56.13
22	A	572	514	135.25
23	A	447	402	5.64
24	A	297	267	95.50
25	A	258	232	27.09
26	A	208	187	0.01
27	A	131	118	1.31
28	A	108	97	127.40
29	A	41	36	7.24
30	A	29	26	9.51

Atom	x (Å)	y (Å)	z (Å)
H1	1.622	-0.000	0.054
O2	2.571	0.000	0.131
O3	-0.420	-0.000	-0.187
C4	-1.145	1.171	0.045
C5	-1.146	-1.171	0.045
H6	2.892	-0.001	-0.760
H7	-1.485	1.226	1.076
H8	-0.490	2.007	-0.154
H9	-2.010	1.233	-0.612
H10	-0.490	-2.007	-0.154
H11	-1.486	-1.225	1.076
H12	-2.010	-1.232	-0.612

	H1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11	H12
H1		0.9519	2.0565	3.0047	3.0050	1.5083	3.4934	2.9207	3.8927	2.9212	3.4936	3.8929
O2	0.9519		3.0079	3.8970	3.8973	0.9467	4.3415	3.6709	4.8013	3.6715	4.3418	4.8016
O3	2.0565	3.0079		1.3963	1.3963	3.3615	2.0572	2.0083	2.0559	2.0083	2.0572	2.0559
C4	3.0047	3.8970	1.3963		2.3412	4.2801	1.0874	1.0810	1.0876	3.2504	2.6308	2.6370
C5	3.0050	3.8973	1.3963	2.3412		4.2798	2.6308	3.2504	2.6370	1.0810	1.0874	1.0876
H6	1.5083	0.9467	3.3615	4.2801	4.2798		4.9028	3.9793	5.0568	3.9787	4.9025	5.0565
H7	3.4934	4.3415	2.0572	1.0874	2.6308	4.9028		1.7651	1.7679	3.5992	2.4512	3.0279
H8	2.9207	3.6709	2.0083	1.0810	3.2504	3.9793	1.7651		1.7661	4.0137	3.5992	3.6074
H9	3.8927	4.8013	2.0559	1.0876	2.6370	5.0568	1.7679	1.7661		3.6074	3.0279	2.4651
H10	2.9212	3.6715	2.0083	3.2504	1.0810	3.9787	3.5992	4.0137	3.6074		1.7651	1.7661
H11	3.4936	4.3418	2.0572	2.6308	1.0874	4.9025	2.4512	3.5992	3.0279	1.7651		1.7679
H12	3.8929	4.8016	2.0559	2.6370	1.0876	5.0565	3.0279	3.6074	2.4651	1.7661	1.7679

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H6	105.200	H1	O3	C4	119.747
H1	O3	C5	119.764	O2	H1	O3	177.908
O3	C4	H7	111.238	O3	C4	H8	107.648
O3	C4	H9	111.120	O3	C5	H10	107.648
O3	C5	H11	111.238	O3	C5	H12	111.120
C4	O3	C5	113.928	H7	C4	H8	108.980
H7	C4	H9	108.749	H8	C4	H9	109.058
H10	C5	H11	108.980	H10	C5	H12	109.058
H11	C5	H12	108.749

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

using model chemistry: HF_cp_opt/6-31G*

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	-0.597
4	C	-0.159
5	C	-0.159
6	H	0.000
7	H	0.140
8	H	0.177
9	H	0.141
10	H	0.177
11	H	0.140
12	H	0.140

	x	y	z	Total
	-3.227	-0.002	-1.324	3.488
CHELPG
AIM
ESP

	x	y	z
x	3.477	0.253	0.026
y	0.253	4.063	-0.020
z	0.026	-0.020	3.453

<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/6-31G*

States and conformations

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