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	hartrees
Energy at 0K	-230.197150
Energy at 298.15K	-230.204902
Counterpoise corrected energy	-230.197004
CP Energy at 298.15K	-230.204750
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	132.910881

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4198	3822	140.31
2	A	4055	3692	257.04
3	A	3256	2964	29.63
4	A	3254	2962	36.99
5	A	3181	2896	125.60
6	A	3180	2895	0.07
7	A	3141	2860	70.96
8	A	3128	2848	50.94
9	A	1766	1607	72.61
10	A	1635	1489	1.41
11	A	1623	1478	2.81
12	A	1621	1475	12.30
13	A	1619	1474	10.59
14	A	1609	1465	0.03
15	A	1588	1445	4.83
16	A	1394	1269	14.02
17	A	1326	1207	147.95
18	A	1304	1187	11.10
19	A	1267	1154	0.00
20	A	1216	1107	58.95
21	A	1024	933	55.96
22	A	557	507	84.86
23	A	442	403	5.71
24	A	292	266	79.98
25	A	251	228	16.76
26	A	196	179	0.01
27	A	121	110	1.18
28	A	109	99	114.72
29	A	40	36	5.97
30	A	30	27	7.15

Atom	x (Å)	y (Å)	z (Å)
H1	1.625	-0.017	0.034
O2	2.566	-0.009	0.127
O3	-0.416	-0.004	-0.160
C4	-1.128	1.178	0.037
C5	-1.164	-1.164	0.038
H6	2.917	-0.022	-0.745
H7	-1.512	1.240	1.052
H8	-0.453	2.003	-0.134
H9	-1.961	1.252	-0.657
H10	-0.514	-2.010	-0.132
H11	-1.548	-1.214	1.053
H12	-1.999	-1.214	-0.655

	H1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11	H12
H1		0.9458	2.0496	3.0010	3.0150	1.5093	3.5291	2.9029	3.8661	2.9282	3.5413	3.8778
O2	0.9458		2.9954	3.8810	3.9053	0.9402	4.3638	3.6375	4.7643	3.6822	4.3861	4.7855
O3	2.0496	2.9954		1.3942	1.3941	3.3843	2.0538	2.0081	2.0529	2.0081	2.0538	2.0529
C4	3.0010	3.8810	1.3942		2.3421	4.2917	1.0866	1.0798	1.0867	3.2506	2.6326	2.6375
C5	3.0150	3.9053	1.3941	2.3421		4.3097	2.6323	3.2505	2.6378	1.0798	1.0866	1.0867
H6	1.5093	0.9402	3.3843	4.2917	4.3097		4.9437	3.9797	5.0432	4.0130	4.9597	5.0596
H7	3.5291	4.3638	2.0538	1.0866	2.6323	4.9437		1.7628	1.7666	3.5999	2.4546	3.0285
H8	2.9029	3.6375	2.0081	1.0798	3.2505	3.9797	1.7628		1.7640	4.0135	3.5999	3.6069
H9	3.8661	4.7643	2.0529	1.0867	2.6378	5.0432	1.7666	1.7640		3.6069	3.0295	2.4663
H10	2.9282	3.6822	2.0081	3.2506	1.0798	4.0130	3.5999	4.0135	3.6069		1.7628	1.7638
H11	3.5413	4.3861	2.0538	2.6326	1.0866	4.9597	2.4546	3.5999	3.0295	1.7628		1.7666
H12	3.8778	4.7855	2.0529	2.6375	1.0867	5.0596	3.0285	3.6069	2.4663	1.7638	1.7666

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H6	106.309	H1	O3	C4	120.039
H1	O3	C5	121.029	O2	H1	O3	179.123
O3	C4	H7	111.162	O3	C4	H8	107.845
O3	C4	H9	111.079	O3	C5	H10	107.852
O3	C5	H11	111.165	O3	C5	H12	111.083
C4	O3	C5	114.278	H7	C4	H8	108.924
H7	C4	H9	108.762	H8	C4	H9	109.021
H10	C5	H11	108.924	H10	C5	H12	109.009
H11	C5	H12	108.759

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

using model chemistry: HF/aug-cc-pVTZ

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	0.368
2	O	-0.485
3	O	-0.481
4	C	-0.825
5	C	-0.826
6	H	0.173
7	H	0.335
8	H	0.374
9	H	0.329
10	H	0.372
11	H	0.336
12	H	0.329

	x	y	z	Total
	-2.928	-0.011	-1.243	3.181
CHELPG
AIM
ESP

	x	y	z
x	5.907	0.009	-0.073
y	0.009	6.126	0.001
z	-0.073	0.001	5.270

<r²>	145.100
(<r²>)^1/2	12.046

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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