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	hartrees
Energy at 0K	-308.484878
Energy at 298.15K	-308.496303
Nuclear repulsion energy	265.025132

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3092	3049	14.17
2	A	3070	3028	27.17
3	A	2992	2951	14.89
4	A	2959	2919	109.42
5	A	2910	2870	59.00
6	A	2809	2771	71.51
7	A	1475	1455	3.19
8	A	1467	1447	1.19
9	A	1443	1423	11.42
10	A	1433	1413	3.72
11	A	1367	1348	52.75
12	A	1331	1313	8.35
13	A	1218	1201	19.37
14	A	1148	1132	17.77
15	A	1137	1122	14.30
16	A	1099	1084	9.60
17	A	1044	1030	50.08
18	A	826	815	5.92
19	A	519	512	6.20
20	A	433	428	9.87
21	A	245	242	2.37
22	A	184	182	1.44
23	A	63	62	3.79
24	A	3070	3028	15.06
25	A	3067	3025	36.18
26	A	2958	2918	15.25
27	A	2908	2868	76.01
28	A	1476	1456	10.18
29	A	1451	1431	0.65
30	A	1447	1427	4.58
31	A	1433	1413	0.16
32	A	1340	1322	63.10
33	A	1169	1153	86.74
34	A	1142	1127	10.10
35	A	1127	1111	319.45
36	A	1055	1041	15.21
37	A	887	874	9.85
38	A	456	449	2.58
39	A	336	332	1.00
40	A	238	235	0.04
41	A	206	203	0.01
42	A	52	51	0.03

Atom	x (Å)	y (Å)	z (Å)
O1	-0.463	-0.530	1.114
O2	-0.463	-0.530	-1.114
C3	-0.463	0.237	2.305
C4	-0.463	0.237	-2.305
C5	0.080	0.155	0.000
C6	1.609	0.105	0.000
H7	0.557	0.462	2.677
H8	0.557	0.462	-2.677
H9	-0.983	-0.365	3.066
H10	-0.983	-0.365	-3.066
H11	-1.005	1.198	2.180
H12	-1.005	1.198	-2.180
H13	-0.277	1.218	0.000
H14	1.930	-0.948	0.000
H15	2.026	0.607	-0.889
H16	2.026	0.607	0.889

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.2271	1.4171	3.5038	1.4158	2.4373	2.1144	4.0491	2.0273	4.2152	2.1016	3.7585	2.0806	2.6724	3.3908	2.7457
O2	2.2271		3.5038	1.4171	1.4158	2.4373	4.0491	2.1144	4.2152	2.0273	3.7585	2.1016	2.0806	2.6724	2.7457	3.3908
C3	1.4171	3.5038		4.6107	2.3698	3.1030	1.1094	5.0909	1.1002	5.4301	1.1104	4.6190	2.5122	3.5277	4.0662	2.8879
C4	3.5038	1.4171	4.6107		2.3698	3.1030	5.0909	1.1094	5.4301	1.1002	4.6190	1.1104	2.5122	3.5277	2.8879	4.0662
C5	1.4158	1.4158	2.3698	2.3698		1.5306	2.7366	2.7366	3.2865	3.2865	2.6487	2.6487	1.1204	2.1539	2.1866	2.1866
C6	2.4373	2.4373	3.1030	3.1030	1.5306		2.8984	2.8984	4.0425	4.0425	3.5750	3.5750	2.1898	1.1005	1.1021	1.1021
H7	2.1144	4.0491	1.1094	5.0909	2.7366	2.8984		5.3541	1.7907	6.0034	1.7969	5.1548	2.9039	3.3223	3.8589	2.3186
H8	4.0491	2.1144	5.0909	1.1094	2.7366	2.8984	5.3541		6.0034	1.7907	5.1548	1.7969	2.9039	3.3223	2.3186	3.8589
H9	2.0273	4.2152	1.1002	5.4301	3.2865	4.0425	1.7907	6.0034		6.1325	1.7969	5.4741	3.5219	4.2690	5.0632	3.8389
H10	4.2152	2.0273	5.4301	1.1002	3.2865	4.0425	6.0034	1.7907	6.1325		5.4741	1.7969	3.5219	4.2690	3.8389	5.0632
H11	2.1016	3.7585	1.1104	4.6190	2.6487	3.5750	1.7969	5.1548	1.7969	5.4741		4.3598	2.2983	4.2388	4.3531	3.3468
H12	3.7585	2.1016	4.6190	1.1104	2.6487	3.5750	5.1548	1.7969	5.4741	1.7969	4.3598		2.2983	4.2388	3.3468	4.3531
H13	2.0806	2.0806	2.5122	2.5122	1.1204	2.1898	2.9039	2.9039	3.5219	3.5219	2.2983	2.2983		3.0914	2.5425	2.5425
H14	2.6724	2.6724	3.5277	3.5277	2.1539	1.1005	3.3223	3.3223	4.2690	4.2690	4.2388	4.2388	3.0914		1.7931	1.7931
H15	3.3908	2.7457	4.0662	2.8879	2.1866	1.1021	3.8589	2.3186	5.0632	3.8389	4.3531	3.3468	2.5425	1.7931		1.7773
H16	2.7457	3.3908	2.8879	4.0662	2.1866	1.1021	2.3186	3.8589	3.8389	5.0632	3.3468	4.3531	2.5425	1.7931	1.7773

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H7	113.062	O1	C3	H9	106.608
O1	C3	H11	111.927	O1	C5	O2	103.721
O1	C5	C6	111.563	O1	C5	H13	109.687
O2	C4	H8	113.062	O2	C4	H10	106.608
O2	C4	H12	111.927	O2	C5	C6	111.563
O2	C5	H13	109.687	C3	O1	C5	113.549
C4	O2	C5	113.549	C5	C6	H14	108.796
C5	C6	H15	111.265	C5	C6	H16	111.265
C6	C5	H13	110.423	H7	C3	H9	108.277
H7	C3	H11	108.087	H8	C4	H10	108.277
H8	C4	H12	108.087	H9	C3	H11	108.745
H10	C4	H12	108.745	H14	C6	H15	108.993
H14	C6	H16	108.993	H15	C6	H16	107.477

All results from a given calculation for C₄H₁₀O₂ (1,1-Dimethoxyethane)

using model chemistry: PBEPBE/6-31G**

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	O	-0.425
2	O	-0.425
3	C	-0.134
4	C	-0.134
5	C	0.357
6	C	-0.382
7	H	0.106
8	H	0.106
9	H	0.136
10	H	0.136
11	H	0.107
12	H	0.107
13	H	0.063
14	H	0.145
15	H	0.118
16	H	0.118

	x	y	z	Total
	0.827	2.036	0.000	2.197
CHELPG
AIM
ESP

	x	y	z
x	7.483	-0.092	0.000
y	-0.092	6.841	0.000
z	0.000	0.000	9.848

<r²>	200.939
(<r²>)^1/2	14.175

All results from a given calculation for C4H10O2 (1,1-Dimethoxyethane)

using model chemistry: PBEPBE/6-31G**

States and conformations

All results from a given calculation for C₄H₁₀O₂ (1,1-Dimethoxyethane)