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	hartrees
Energy at 0K	-230.202887
Energy at 298.15K	-230.210611
HF Energy	-230.202887
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	133.038525

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4210	3816	132.38
2	A	4072	3691	248.97
3	A	3259	2954	31.05
4	A	3257	2952	38.89
5	A	3184	2886	131.17
6	A	3183	2885	0.02
7	A	3144	2850	70.04
8	A	3131	2838	49.89
9	A	1769	1603	70.25
10	A	1637	1484	0.93
11	A	1624	1472	2.64
12	A	1621	1469	11.04
13	A	1621	1469	11.67
14	A	1609	1459	0.02
15	A	1590	1441	5.52
16	A	1395	1264	13.82
17	A	1328	1203	151.29
18	A	1306	1184	11.34
19	A	1269	1150	0.00
20	A	1218	1104	57.60
21	A	1026	930	56.69
22	A	557	505	96.49
23	A	442	401	5.53
24	A	285	258	81.94
25	A	249	226	22.81
26	A	197	179	0.01
27	A	124	113	1.35
28	A	113	102	121.90
29	A	37	33	5.95
30	A	24	21	4.27

Atom	x (Å)	y (Å)	z (Å)
H1	1.555	-0.348	0.077
O2	2.490	-0.217	0.131
O3	-0.435	-0.092	-0.201
C4	-0.696	1.274	0.032
C5	-1.506	-0.963	0.061
H6	2.819	-0.367	-0.736
H7	-1.411	1.432	0.831
H8	0.231	1.752	0.312
H9	-1.075	1.761	-0.859
H10	-1.177	-1.958	-0.190
H11	-1.794	-0.943	1.107
H12	-2.380	-0.725	-0.537

	H1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11	H12
H1		0.9455	2.0261	2.7751	3.1219	1.5032	3.5406	2.4939	3.4993	3.1822	3.5542	4.0010
O2	0.9455		2.9467	3.5191	4.0651	0.9394	4.2929	3.0024	4.1958	4.0716	4.4536	4.9422
O3	2.0261	2.9467		1.4102	1.4046	3.3096	2.0832	2.0263	2.0678	2.0081	2.0696	2.0730
C4	2.7751	3.5191	1.4102		2.3792	3.9547	1.0838	1.0791	1.0846	3.2754	2.6980	2.6756
C5	3.1219	4.0651	1.4046	2.3792		4.4378	2.5169	3.2320	2.9070	1.0778	1.0851	1.0859
H6	1.5032	0.9394	3.3096	3.9547	4.4378		4.8568	3.5054	4.4395	4.3357	5.0013	5.2159
H7	3.5406	4.2929	2.0832	1.0838	2.5169	4.8568		1.7517	1.7550	3.5479	2.4215	2.7315
H8	2.4939	3.0024	2.0263	1.0791	3.2320	3.5054	1.7517		1.7543	3.9994	3.4636	3.6976
H9	3.4993	4.1958	2.0678	1.0846	2.9070	4.4395	1.7550	1.7543		3.7801	3.4202	2.8262
H10	3.1822	4.0716	2.0081	3.2754	1.0778	4.3357	3.5479	3.9994	3.7801		1.7584	1.7578
H11	3.5542	4.4536	2.0696	2.6980	1.0851	5.0013	2.4215	3.4636	3.4202	1.7584		1.7586
H12	4.0010	4.9422	2.0730	2.6756	1.0859	5.2159	2.7315	3.6976	2.8262	1.7578	1.7586

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H6	105.790	H1	O3	C4	106.339
H1	O3	C5	130.130	O2	H1	O3	164.070
O3	C4	H7	112.627	O3	C4	H8	108.236
O3	C4	H9	111.287	O3	C5	H10	107.254
O3	C5	H11	111.818	O3	C5	H12	112.050
C4	O3	C5	115.396	H7	C4	H8	108.162
H7	C4	H9	108.061	H8	C4	H9	108.341
H10	C5	H11	108.774	H10	C5	H12	108.658
H11	C5	H12	108.198

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

using model chemistry: HF/Def2TZVPP

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	0.262
2	O	-0.494
3	O	-0.422
4	C	0.039
5	C	0.039
6	H	0.217
7	H	0.054
8	H	0.073
9	H	0.053
10	H	0.073
11	H	0.054
12	H	0.053

	x	y	z	Total
	-2.931	0.009	-1.293	3.203
CHELPG
AIM
ESP

	x	y	z
x	5.542	-0.003	-0.077
y	-0.003	5.588	-0.003
z	-0.077	-0.003	4.954

<r²>	144.580
(<r²>)^1/2	12.024

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

using model chemistry: HF/Def2TZVPP

States and conformations

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