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	hartrees
Energy at 0K	-230.190746
Energy at 298.15K	-230.198558
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	133.137170

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4228	3842	142.82
2	A	4085	3712	261.21
3	A	3256	2958	29.59
4	A	3254	2956	37.08
5	A	3181	2890	125.35
6	A	3180	2889	0.03
7	A	3141	2854	70.38
8	A	3128	2842	51.67
9	A	1771	1609	72.08
10	A	1637	1488	1.40
11	A	1625	1477	3.18
12	A	1622	1474	12.93
13	A	1620	1472	10.87
14	A	1610	1463	0.01
15	A	1591	1445	4.64
16	A	1396	1268	13.87
17	A	1329	1208	148.98
18	A	1307	1188	11.01
19	A	1270	1154	0.00
20	A	1219	1107	58.55
21	A	1027	933	55.68
22	A	581	527	88.13
23	A	443	403	5.86
24	A	308	280	85.37
25	A	254	230	13.32
26	A	196	178	0.00
27	A	127	115	1.31
28	A	114	103	118.60
29	A	39	35	6.44
30	A	34	31	5.89

Atom	x (Å)	y (Å)	z (Å)
H1	1.613	-0.014	0.027
O2	2.552	-0.007	0.131
O3	-0.420	-0.003	-0.187
C4	-1.124	1.176	0.044
C5	-1.152	-1.164	0.045
H6	2.914	-0.018	-0.736
H7	-1.462	1.235	1.075
H8	-0.459	2.003	-0.155
H9	-1.988	1.250	-0.611
H10	-0.509	-2.008	-0.156
H11	-1.489	-1.216	1.078
H12	-2.020	-1.217	-0.608

	H1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11	H12
H1		0.9450	2.0447	2.9843	2.9956	1.5081	3.4805	2.8973	3.8693	2.9182	3.4888	3.8793
O2	0.9450		2.9896	3.8628	3.8824	0.9390	4.3070	3.6319	4.7690	3.6688	4.3233	4.7868
O3	2.0447	2.9896		1.3924	1.3923	3.3789	2.0526	2.0070	2.0515	2.0070	2.0525	2.0515
C4	2.9843	3.8628	1.3924		2.3402	4.2822	1.0867	1.0799	1.0868	3.2487	2.6312	2.6368
C5	2.9956	3.8824	1.3923	2.3402		4.2964	2.6297	3.2486	2.6383	1.0799	1.0867	1.0868
H6	1.5081	0.9390	3.3789	4.2822	4.2964		4.8988	3.9749	5.0644	4.0017	4.9099	5.0787
H7	3.4805	4.3070	2.0526	1.0867	2.6297	4.8988		1.7627	1.7667	3.5977	2.4520	3.0263
H8	2.8973	3.6319	2.0070	1.0799	3.2486	3.9749	1.7627		1.7639	4.0115	3.5977	3.6070
H9	3.8693	4.7690	2.0515	1.0868	2.6383	5.0644	1.7667	1.7639		3.6071	3.0310	2.4679
H10	2.9182	3.6688	2.0070	3.2487	1.0799	4.0017	3.5977	4.0115	3.6071		1.7628	1.7638
H11	3.4888	4.3233	2.0525	2.6312	1.0867	4.9099	2.4520	3.5977	3.0310	1.7628		1.7667
H12	3.8793	4.7868	2.0515	2.6368	1.0868	5.0787	3.0263	3.6070	2.4679	1.7638	1.7667

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H6	106.353	H1	O3	C4	119.306
H1	O3	C5	120.087	O2	H1	O3	179.263
O3	C4	H7	111.184	O3	C4	H8	107.881
O3	C4	H9	111.083	O3	C5	H10	107.885
O3	C5	H11	111.184	O3	C5	H12	111.087
C4	O3	C5	114.365	H7	C4	H8	108.900
H7	C4	H9	108.747	H8	C4	H9	108.996
H10	C5	H11	108.903	H10	C5	H12	108.984
H11	C5	H12	108.747

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

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

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	0.459
2	O	-0.647
3	O	-0.809
4	C	0.056
5	C	0.057
6	H	0.210
7	H	0.112
8	H	0.120
9	H	0.106
10	H	0.119
11	H	0.112
12	H	0.106

	x	y	z	Total
	-2.898	-0.010	-1.210	3.140
CHELPG
AIM
ESP

	x	y	z
x	5.739	0.007	-0.080
y	0.007	5.960	0.000
z	-0.080	0.000	5.077

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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