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	hartrees
Energy at 0K	-231.270462
Energy at 298.15K	-231.278225
Nuclear repulsion energy	83.335674

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3795	3757	70.39
2	A	3526	3491	515.36
3	A	3063	3032	13.81
4	A	3062	3031	15.66
5	A	2973	2943	0.04
6	A	2966	2936	94.45
7	A	2920	2891	65.98
8	A	2913	2883	47.88
9	A	1610	1594	34.74
10	A	1460	1446	4.51
11	A	1443	1429	13.05
12	A	1438	1423	17.20
13	A	1432	1417	0.41
14	A	1429	1415	0.14
15	A	1407	1393	0.28
16	A	1226	1214	5.52
17	A	1152	1140	4.35
18	A	1143	1132	73.82
19	A	1122	1111	0.07
20	A	1081	1070	49.94
21	A	909	900	49.28
22	A	627	621	48.31
23	A	403	399	9.00
24	A	343	340	84.82
25	A	243	241	17.60
26	A	203	201	0.03
27	A	152	151	3.68
28	A	111	110	100.58
29	A	46	45	8.36
30	A	40	40	8.84

Atom	x (Å)	y (Å)	z (Å)
H1	1.451	-0.000	-0.090
O2	2.398	-0.000	0.165
O3	-0.419	-0.000	-0.367
C4	-1.066	1.180	0.094
C5	-1.066	-1.180	0.094
H6	2.876	-0.000	-0.676
H7	-1.081	1.222	1.198
H8	-0.498	2.034	-0.291
H9	-2.103	1.232	-0.280
H10	-0.498	-2.034	-0.291
H11	-1.081	-1.222	1.198
H12	-2.104	-1.232	-0.280

	H1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11	H12
H1		0.9807	1.8904	2.7854	2.7854	1.5415	3.0917	2.8237	3.7663	2.8237	3.0917	3.7663
O2	0.9807		2.8668	3.6595	3.6596	0.9678	3.8286	3.5675	4.6877	3.5676	3.8286	4.6878
O3	1.8904	2.8668		1.4223	1.4223	3.3100	2.0928	2.0368	2.0884	2.0368	2.0928	2.0884
C4	2.7854	3.6595	1.4223		2.3595	4.1863	1.1043	1.0959	1.1041	3.2862	2.6430	2.6516
C5	2.7854	3.6596	1.4223	2.3595		4.1863	2.6430	3.2862	2.6516	1.0959	1.1043	1.1041
H6	1.5415	0.9678	3.3100	4.1863	4.1863		4.5455	3.9583	5.1451	3.9583	4.5455	5.1451
H7	3.0917	3.8286	2.0928	1.1043	2.6430	4.5455		1.7932	1.7966	3.6272	2.4437	3.0409
H8	2.8237	3.5675	2.0368	1.0959	3.2862	3.9583	1.7932		1.7952	4.0678	3.6271	3.6391
H9	3.7663	4.6877	2.0884	1.1041	2.6516	5.1451	1.7966	1.7952		3.6391	3.0409	2.4633
H10	2.8237	3.5676	2.0368	3.2862	1.0959	3.9583	3.6272	4.0678	3.6391		1.7932	1.7952
H11	3.0917	3.8286	2.0928	2.6430	1.1043	4.5455	2.4437	3.6271	3.0409	1.7932		1.7966
H12	3.7663	4.6878	2.0884	2.6516	1.1041	5.1451	3.0409	3.6391	2.4633	1.7952	1.7966

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H6	104.576	H1	O3	C4	113.702
H1	O3	C5	113.703	O2	H1	O3	173.381
O3	C4	H7	111.228	O3	C4	H8	107.260
O3	C4	H9	110.878	O3	C5	H10	107.260
O3	C5	H11	111.228	O3	C5	H12	110.878
C4	O3	C5	112.088	H7	C4	H8	109.184
H7	C4	H9	108.883	H8	C4	H9	109.370
H10	C5	H11	109.184	H10	C5	H12	109.370
H11	C5	H12	108.883

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

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

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	-0.598
4	C	0.221
5	C	0.221
6	H	0.000
7	H	0.024
8	H	0.030
9	H	0.024
10	H	0.030
11	H	0.024
12	H	0.024

	x	y	z	Total
	-2.539	-0.000	-0.938	2.706
CHELPG
AIM
ESP

	x	y	z
x	4.764	-0.000	0.046
y	-0.000	5.987	0.000
z	0.046	0.000	4.739

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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