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	hartrees
Energy at 0K	-230.117009
Energy at 298.15K	-230.124797
Nuclear repulsion energy	84.485666

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4244	3837	154.74
2	A	4087	3696	254.72
3	A	3293	2978	31.35
4	A	3292	2976	37.74
5	A	3217	2909	135.54
6	A	3216	2908	0.01
7	A	3169	2865	72.95
8	A	3156	2853	56.09
9	A	1756	1588	92.96
10	A	1643	1486	0.56
11	A	1628	1472	2.74
12	A	1627	1472	11.48
13	A	1626	1470	11.21
14	A	1615	1461	0.00
15	A	1594	1441	7.42
16	A	1393	1260	15.30
17	A	1330	1203	163.25
18	A	1304	1179	13.47
19	A	1268	1147	0.00
20	A	1219	1102	51.27
21	A	1026	927	60.85
22	A	574	519	129.72
23	A	442	400	5.94
24	A	297	268	103.73
25	A	253	229	27.00
26	A	201	182	0.01
27	A	131	118	1.32
28	A	118	106	148.91
29	A	40	36	8.82
30	A	29	26	10.06

Atom	x (Å)	y (Å)	z (Å)
H1	-1.620	-0.000	0.025
O2	-2.562	-0.000	0.131
O3	0.423	-0.000	-0.190
C4	1.144	-1.175	0.046
C5	1.144	1.175	0.046
H6	-2.937	-0.000	-0.733
H7	1.474	-1.229	1.081
H8	0.486	-2.008	-0.159
H9	2.012	-1.236	-0.607
H10	0.486	2.008	-0.159
H11	1.474	1.229	1.081
H12	2.012	1.236	-0.607

	H1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11	H12
H1		0.9483	2.0540	3.0029	3.0029	1.5200	3.4929	2.9161	3.8879	2.9161	3.4929	3.8879
O2	0.9483		3.0023	3.8884	3.8884	0.9423	4.3250	3.6621	4.7952	3.6621	4.3250	4.7952
O3	2.0540	3.0023		1.3983	1.3983	3.4041	2.0569	2.0096	2.0558	2.0096	2.0569	2.0558
C4	3.0029	3.8884	1.3983		2.3497	4.3177	1.0878	1.0811	1.0879	3.2568	2.6381	2.6443
C5	3.0029	3.8884	1.3983	2.3497		4.3177	2.6381	3.2568	2.6443	1.0811	1.0878	1.0879
H6	1.5200	0.9423	3.4041	4.3177	4.3177		4.9260	4.0108	5.1030	4.0108	4.9260	5.1030
H7	3.4929	4.3250	2.0569	1.0878	2.6381	4.9260		1.7664	1.7709	3.6049	2.4584	3.0354
H8	2.9161	3.6621	2.0096	1.0811	3.2568	4.0108	1.7664		1.7676	4.0168	3.6049	3.6130
H9	3.8879	4.7952	2.0558	1.0879	2.6443	5.1030	1.7709	1.7676		3.6130	3.0354	2.4720
H10	2.9161	3.6621	2.0096	3.2568	1.0811	4.0108	3.6049	4.0168	3.6130		1.7664	1.7676
H11	3.4929	4.3250	2.0569	2.6381	1.0878	4.9260	2.4584	3.6049	3.0354	1.7664		1.7709
H12	3.8879	4.7952	2.0558	2.6443	1.0879	5.1030	3.0354	3.6130	2.4720	1.7676	1.7709

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H6	107.028	H1	O3	C4	119.665
H1	O3	C5	119.665	O2	H1	O3	179.551
O3	C4	H7	111.046	O3	C4	H8	107.614
O3	C4	H9	110.944	O3	C5	H10	107.614
O3	C5	H11	111.046	O3	C5	H12	110.944
C4	O3	C5	114.326	H7	C4	H8	109.061
H7	C4	H9	108.971	H8	C4	H9	109.162
H10	C5	H11	109.061	H10	C5	H12	109.162
H11	C5	H12	108.971

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

using model chemistry: HF_cp_opt/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	0.000
2	O	0.000
3	O	-0.457
4	C	-0.111
5	C	-0.111
6	H	0.000
7	H	0.104
8	H	0.132
9	H	0.104
10	H	0.132
11	H	0.104
12	H	0.104

	x	y	z	Total
	3.128	0.000	-1.376	3.417
CHELPG
AIM
ESP

	x	y	z
x	3.789	0.001	0.008
y	0.001	4.547	0.000
z	0.008	0.000	3.806

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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