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	hartrees
Energy at 0K	-230.117886
Energy at 298.15K	-230.125744
Counterpoise corrected energy	-230.117009
CP Energy at 298.15K	-230.124797
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	133.283210

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4240	3834	157.41
2	A	4080	3689	279.52
3	A	3293	2978	30.59
4	A	3292	2976	37.45
5	A	3219	2910	132.19
6	A	3218	2910	0.00
7	A	3170	2866	72.44
8	A	3157	2855	57.88
9	A	1760	1591	90.56
10	A	1642	1485	0.79
11	A	1628	1472	2.65
12	A	1627	1471	11.87
13	A	1626	1470	10.94
14	A	1615	1460	0.00
15	A	1593	1441	6.95
16	A	1394	1260	15.57
17	A	1330	1202	163.83
18	A	1303	1178	13.55
19	A	1268	1146	0.01
20	A	1218	1102	52.63
21	A	1025	927	60.24
22	A	610	551	123.19
23	A	443	400	5.37
24	A	306	277	103.28
25	A	253	229	22.61
26	A	199	180	0.00
27	A	142	128	1.06
28	A	121	109	144.62
29	A	39	35	8.99
30	A	38	34	9.06

Atom	x (Å)	y (Å)	z (Å)
H1	1.578	-0.001	0.028
O2	2.521	-0.000	0.133
O3	-0.411	-0.000	-0.202
C4	-1.126	1.176	0.049
C5	-1.128	-1.175	0.049
H6	2.894	-0.001	-0.732
H7	-1.435	1.229	1.090
H8	-0.472	2.009	-0.169
H9	-2.007	1.237	-0.586
H10	-0.475	-2.009	-0.169
H11	-1.437	-1.228	1.090
H12	-2.009	-1.235	-0.586

	H1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11	H12
H1		0.9487	2.0028	2.9491	2.9498	1.5196	3.4239	2.8777	3.8426	2.8789	3.4245	3.8431
O2	0.9487		2.9516	3.8329	3.8341	0.9424	4.2521	3.6177	4.7492	3.6198	4.2532	4.7502
O3	2.0028	2.9516		1.3987	1.3987	3.3477	2.0569	2.0099	2.0556	2.0099	2.0569	2.0556
C4	2.9491	3.8329	1.3987		2.3503	4.2611	1.0876	1.0811	1.0879	3.2575	2.6379	2.6448
C5	2.9498	3.8341	1.3987	2.3503		4.2619	2.6379	3.2575	2.6448	1.0811	1.0876	1.0879
H6	1.5196	0.9424	3.3477	4.2611	4.2619		4.8558	3.9609	5.0575	3.9625	4.8565	5.0583
H7	3.4239	4.2521	2.0569	1.0876	2.6379	4.8558		1.7664	1.7712	3.6045	2.4573	3.0353
H8	2.8777	3.6177	2.0099	1.0811	3.2575	3.9609	1.7664		1.7677	4.0174	3.6045	3.6136
H9	3.8426	4.7492	2.0556	1.0879	2.6448	5.0575	1.7712	1.7677		3.6136	3.0353	2.4726
H10	2.8789	3.6198	2.0099	3.2575	1.0811	3.9625	3.6045	4.0174	3.6136		1.7664	1.7677
H11	3.4245	4.2532	2.0569	2.6379	1.0876	4.8565	2.4573	3.6045	3.0353	1.7664		1.7712
H12	3.8431	4.7502	2.0556	2.6448	1.0879	5.0583	3.0353	3.6136	2.4726	1.7677	1.7712

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H6	106.935	H1	O3	C4	119.159
H1	O3	C5	119.204	O2	H1	O3	179.785
O3	C4	H7	111.029	O3	C4	H8	107.607
O3	C4	H9	110.902	O3	C5	H10	107.608
O3	C5	H11	111.029	O3	C5	H12	110.902
C4	O3	C5	114.324	H7	C4	H8	109.075
H7	C4	H9	109.011	H8	C4	H9	109.173
H10	C5	H11	109.075	H10	C5	H12	109.172
H11	C5	H12	109.011

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

using model chemistry: HF/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	0.450
2	O	-0.793
3	O	-0.495
4	C	-0.120
5	C	-0.120
6	H	0.355
7	H	0.114
8	H	0.139
9	H	0.110
10	H	0.139
11	H	0.114
12	H	0.110

	x	y	z	Total
	-3.155	-0.001	-1.342	3.428
CHELPG
AIM
ESP

	x	y	z
x	5.212	0.000	-0.097
y	0.000	5.251	0.000
z	-0.097	0.000	4.619

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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