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	hartrees
Energy at 0K	-231.060594
Energy at 298.15K	-231.068541
HF Energy	-230.189154
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	136.217874

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3954	3756	105.65
2	A	3692	3508	455.58
3	A	3191	3031	13.55
4	A	3191	3031	13.65
5	A	3118	2962	0.06
6	A	3111	2956	70.14
7	A	3040	2888	46.95
8	A	3037	2885	40.40
9	A	1658	1575	39.49
10	A	1532	1456	6.61
11	A	1518	1442	10.25
12	A	1517	1441	18.10
13	A	1506	1430	0.04
14	A	1501	1425	0.34
15	A	1473	1399	1.18
16	A	1282	1218	6.99
17	A	1212	1151	6.17
18	A	1210	1150	90.33
19	A	1180	1121	0.00
20	A	1132	1075	43.36
21	A	952	904	43.32
22	A	676	642	51.65
23	A	421	400	18.60
24	A	372	353	87.21
25	A	271	258	28.63
26	A	197	187	0.12
27	A	176	167	4.07
28	A	114	108	105.60
29	A	42	40	14.61
30	A	37	35	16.81

Atom	x (Å)	y (Å)	z (Å)
O1	0.487	-0.000	-0.498
C2	0.973	1.168	0.137
C3	0.975	-1.167	0.137
H4	0.566	-2.020	-0.395
H5	0.655	-1.203	1.181
H6	0.563	2.020	-0.395
H7	2.064	1.201	0.095
H8	0.653	1.204	1.181
H9	2.066	-1.199	0.095
O10	-2.245	-0.000	0.172
H11	-1.354	-0.001	-0.211
H12	-2.835	-0.003	-0.583

	O1	C2	C3	H4	H5	H6	H7	H8	H9	O10	H11	H12
O1		1.4152	1.4152	2.0242	2.0726	2.0242	2.0698	2.0726	2.0698	2.8126	1.8632	3.3222
C2	1.4152		2.3344	3.2572	2.6102	1.0853	1.0925	1.0928	2.6072	3.4236	2.6270	4.0479
C3	1.4152	2.3344		1.0853	1.0928	3.2571	2.6069	2.6104	1.0925	3.4251	2.6282	4.0479
H4	2.0242	3.2572	1.0853		1.7772	4.0401	3.5863	3.5894	1.7788	3.5076	2.7931	3.9584
H5	2.0726	2.6102	1.0928	1.7772		3.5894	2.9911	2.4072	1.7808	3.2981	2.7244	4.0904
H6	2.0242	1.0853	3.2571	4.0401	3.5894		1.7788	1.7772	3.5863	3.5056	2.7915	3.9587
H7	2.0698	1.0925	2.6069	3.5863	2.9911	1.7788		1.7808	2.4003	4.4743	3.6365	5.0899
H8	2.0726	1.0928	2.6104	3.5894	2.4072	1.7772	1.7808		2.9919	3.2962	2.7230	4.0899
H9	2.0698	2.6072	1.0925	1.7788	1.7808	3.5863	2.4003	2.9919		4.4755	3.6374	5.0899
O10	2.8126	3.4236	3.4251	3.5076	3.2981	3.5056	4.4743	3.2962	4.4755		0.9694	0.9577
H11	1.8632	2.6270	2.6282	2.7931	2.7244	2.7915	3.6365	2.7230	3.6374	0.9694		1.5263
H12	3.3222	4.0479	4.0479	3.9584	4.0904	3.9587	5.0899	4.0899	5.0899	0.9577	1.5263

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H6	107.361	H1	O3	C4	107.362
H1	O3	C5	110.806	O2	H1	O3	111.124
O3	C4	H7	21.486	O3	C4	H8	21.527
O3	C4	H9	35.367	O3	C5	H10	87.293
O3	C5	H11	73.318	O3	C5	H12	80.083
C4	O3	C5	109.361	H7	C4	H8	28.738
H7	C4	H9	36.438	H8	C4	H9	56.239
H10	C5	H11	14.979	H10	C5	H12	8.400
H11	C5	H12	11.708

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

using model chemistry: MP2/6-311+G(3df,2pd)

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	O	-0.821
2	C	0.338
3	C	0.338
4	H	0.023
5	H	0.029
6	H	0.023
7	H	0.014
8	H	0.029
9	H	0.014
10	O	-0.447
11	H	0.319
12	H	0.140

	x	y	z	Total
	2.081	-0.003	-0.647	2.179
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: MP2/6-311+G(3df,2pd)

States and conformations

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