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	hartrees
Energy at 0K	-231.476681
Energy at 298.15K	-231.484707
HF Energy	-231.476681
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	134.315400

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3873	3738	65.99
2	A	3721	3591	217.67
3	A	3140	3030	7.56
4	A	3121	3012	23.32
5	A	3035	2928	20.03
6	A	3029	2923	90.08
7	A	2988	2883	60.69
8	A	2976	2872	46.11
9	A	1688	1629	60.34
10	A	1520	1467	0.92
11	A	1499	1446	11.85
12	A	1495	1443	8.17
13	A	1489	1437	3.96
14	A	1482	1430	1.42
15	A	1462	1410	2.91
16	A	1278	1233	3.95
17	A	1205	1163	44.23
18	A	1200	1158	55.52
19	A	1169	1128	0.02
20	A	1124	1084	47.55
21	A	944	911	44.77
22	A	625	603	165.92
23	A	418	403	3.97
24	A	280	270	60.64
25	A	252	243	23.18
26	A	220	212	2.60
27	A	184	178	77.39
28	A	165	159	0.43
29	A	95	92	10.00
30	A	46	44	2.27

Atom	x (Å)	y (Å)	z (Å)
H1	1.465	-0.538	0.113
O2	2.405	-0.303	0.130
O3	-0.417	-0.157	-0.169
C4	-0.462	1.244	0.020
C5	-1.657	-0.790	0.053
H6	2.684	-0.426	-0.782
H7	-0.831	1.502	1.024
H8	0.562	1.605	-0.089
H9	-1.113	1.725	-0.726
H10	-1.515	-1.860	-0.112
H11	-2.014	-0.630	1.082
H12	-2.426	-0.419	-0.641

	H1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11	H12
H1		0.9688	1.9407	2.6266	3.1333	1.5159	3.2037	2.3342	3.5314	3.2678	3.6129	3.9656
O2	0.9688		2.8415	3.2600	4.0922	0.9617	3.8119	2.6622	4.1500	4.2245	4.5322	4.8939
O3	1.9407	2.8415		1.4148	1.4100	3.1723	2.0846	2.0174	2.0832	2.0267	2.0829	2.0808
C4	2.6266	3.2600	1.4148		2.3593	3.6511	1.1003	1.0912	1.1002	3.2804	2.6551	2.6574
C5	3.1333	4.0922	1.4100	2.3593		4.4358	2.6219	3.2680	2.6890	1.0923	1.1006	1.1005
H6	1.5159	0.9617	3.1723	3.6511	4.4358		4.3970	3.0181	4.3642	4.4869	5.0583	5.1121
H7	3.2037	3.8119	2.0846	1.1003	2.6219	4.3970		1.7859	1.7860	3.6136	2.4385	3.0010
H8	2.3342	2.6622	2.0174	1.0912	3.2680	3.0181	1.7859		1.7955	4.0396	3.6058	3.6513
H9	3.5314	4.1500	2.0832	1.1002	2.6890	4.3642	1.7860	1.7955		3.6598	3.1033	2.5166
H10	3.2678	4.2245	2.0267	3.2804	1.0923	4.4869	3.6136	4.0396	3.6598		1.7858	1.7851
H11	3.6129	4.5322	2.0829	2.6551	1.1006	5.0583	2.4385	3.6058	3.1033	1.7858		1.7847
H12	3.9656	4.8939	2.0808	2.6574	1.1005	5.1121	3.0010	3.6513	2.5166	1.7851	1.7847

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H6	103.483	H1	O3	C4	101.887
H1	O3	C5	137.943	O2	H1	O3	153.636
O3	C4	H7	111.348	O3	C4	H8	106.517
O3	C4	H9	111.237	O3	C5	H10	107.498
O3	C5	H11	111.537	O3	C5	H12	111.367
C4	O3	C5	113.280	H7	C4	H8	109.166
H7	C4	H9	108.511	H8	C4	H9	110.037
H10	C5	H11	109.047	H10	C5	H12	108.987
H11	C5	H12	108.353

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

using model chemistry: B3LYP/6-31G(2df,p)

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

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

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