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	hartrees
Energy at 0K	-231.195706
Energy at 298.15K	-231.203508
Nuclear repulsion energy	83.014062

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3797	3753	79.06
2	A	3514	3474	520.03
3	A	3084	3049	14.59
4	A	3083	3048	16.46
5	A	2992	2958	0.01
6	A	2985	2951	102.78
7	A	2933	2900	72.00
8	A	2924	2891	54.43
9	A	1593	1575	48.13
10	A	1468	1451	4.13
11	A	1448	1431	15.93
12	A	1444	1427	19.15
13	A	1437	1421	1.08
14	A	1433	1417	0.06
15	A	1412	1396	0.72
16	A	1225	1211	4.33
17	A	1154	1141	3.95
18	A	1147	1134	81.57
19	A	1122	1109	0.01
20	A	1083	1071	45.92
21	A	909	899	53.08
22	A	640	632	72.89
23	A	405	400	12.07
24	A	347	344	111.30
25	A	251	249	24.34
26	A	203	200	0.17
27	A	157	155	3.68
28	A	120	119	131.56
29	A	45	45	11.90
30	A	40	39	14.47

Atom	x (Å)	y (Å)	z (Å)
H1	1.434	-0.000	-0.105
O2	2.381	-0.000	0.168
O3	-0.429	-0.000	-0.390
C4	-1.056	1.185	0.101
C5	-1.056	-1.185	0.101
H6	2.886	-0.000	-0.662
H7	-1.017	1.231	1.208
H8	-0.502	2.038	-0.316
H9	-2.113	1.237	-0.226
H10	-0.502	-2.038	-0.316
H11	-1.017	-1.231	1.208
H12	-2.113	-1.237	-0.226

	H1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11	H12
H1		0.9850	1.8850	2.7656	2.7656	1.5554	3.0412	2.8189	3.7590	2.8190	3.0412	3.7590
O2	0.9850		2.8647	3.6360	3.6360	0.9717	3.7609	3.5632	4.6778	3.5633	3.7609	4.6778
O3	1.8850	2.8647		1.4280	1.4280	3.3266	2.1014	2.0408	2.0962	2.0408	2.1014	2.0962
C4	2.7656	3.6360	1.4280		2.3700	4.1869	1.1081	1.0996	1.1079	3.2969	2.6576	2.6632
C5	2.7656	3.6360	1.4280	2.3700		4.1869	2.6576	3.2969	2.6632	1.0996	1.1081	1.1079
H6	1.5554	0.9717	3.3266	4.1869	4.1869		4.5001	3.9691	5.1688	3.9691	4.5001	5.1689
H7	3.0412	3.7609	2.1014	1.1081	2.6576	4.5001		1.7996	1.8049	3.6434	2.4620	3.0578
H8	2.8189	3.5632	2.0408	1.0996	3.2969	3.9691	1.7996		1.8016	4.0762	3.6434	3.6515
H9	3.7590	4.6778	2.0962	1.1079	2.6632	5.1688	1.8049	1.8016		3.6515	3.0578	2.4747
H10	2.8190	3.5633	2.0408	3.2969	1.0996	3.9691	3.6434	4.0762	3.6515		1.7996	1.8016
H11	3.0412	3.7609	2.1014	2.6576	1.1081	4.5001	2.4620	3.6434	3.0578	1.7996		1.8049
H12	3.7590	4.6778	2.0962	2.6632	1.1079	5.1689	3.0578	3.6515	2.4747	1.8016	1.8049

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H6	105.292	H1	O3	C4	112.449
H1	O3	C5	112.450	O2	H1	O3	172.645
O3	C4	H7	111.283	O3	C4	H8	106.967
O3	C4	H9	110.875	O3	C5	H10	106.967
O3	C5	H11	111.283	O3	C5	H12	110.875
C4	O3	C5	112.159	H7	C4	H8	109.205
H7	C4	H9	109.069	H8	C4	H9	109.398
H10	C5	H11	109.205	H10	C5	H12	109.398
H11	C5	H12	109.069

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

using model chemistry: PBEPBEultrafine_cp_opt/6-31+G**

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	-0.291
4	C	-0.315
5	C	-0.315
6	H	0.000
7	H	0.146
8	H	0.168
9	H	0.146
10	H	0.168
11	H	0.146
12	H	0.146

	x	y	z	Total
	-2.655	0.000	-1.053	2.857
CHELPG
AIM
ESP

	x	y	z
x	4.390	0.001	-0.025
y	0.001	5.404	-0.000
z	-0.025	-0.000	4.384

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: PBEPBEultrafine_cp_opt/6-31+G**

States and conformations

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