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	hartrees
Energy at 0K	-308.803519
Energy at 298.15K	-308.815054
Nuclear repulsion energy	267.046097

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3176	3023	16.44
2	A	3170	3017	19.42
3	A	3079	2931	61.94
4	A	3074	2926	48.83
5	A	3016	2871	68.32
6	A	2937	2796	65.84
7	A	1518	1445	6.84
8	A	1513	1440	2.87
9	A	1492	1420	18.90
10	A	1480	1409	5.05
11	A	1419	1351	64.13
12	A	1379	1312	6.20
13	A	1273	1212	24.36
14	A	1196	1138	38.98
15	A	1183	1126	0.07
16	A	1137	1082	7.70
17	A	1092	1039	52.29
18	A	856	815	6.93
19	A	538	513	7.74
20	A	449	428	11.69
21	A	253	241	3.02
22	A	180	171	1.99
23	A	59	56	4.98
24	A	3170	3017	21.63
25	A	3156	3004	29.42
26	A	3074	2926	14.19
27	A	3014	2869	71.79
28	A	1518	1445	9.24
29	A	1501	1429	1.27
30	A	1492	1420	6.51
31	A	1482	1410	1.27
32	A	1399	1332	61.67
33	A	1225	1166	222.76
34	A	1183	1126	107.42
35	A	1180	1123	110.69
36	A	1099	1046	14.45
37	A	929	884	6.91
38	A	467	445	1.84
39	A	349	332	1.16
40	A	239	228	0.01
41	A	203	193	0.05
42	A	35	34	0.16

Atom	x (Å)	y (Å)	z (Å)
O1	-0.468	-0.505	1.107
O2	-0.468	-0.505	-1.107
C3	-0.468	0.257	2.289
C4	-0.468	0.257	-2.289
C5	0.094	0.143	0.000
C6	1.611	0.038	0.000
H7	0.546	0.461	2.658
H8	0.546	0.461	-2.658
H9	-0.997	-0.329	3.040
H10	-0.997	-0.329	-3.040
H11	-0.992	1.213	2.150
H12	-0.992	1.213	-2.150
H13	-0.222	1.205	0.000
H14	1.893	-1.017	0.000
H15	2.039	0.521	-0.882
H16	2.039	0.521	0.882

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.2147	1.4059	3.4805	1.4006	2.4169	2.0898	4.0176	2.0116	4.1847	2.0773	3.7199	2.0521	2.6569	3.3608	2.7183
O2	2.2147		3.4805	1.4059	1.4006	2.4169	4.0176	2.0898	4.1847	2.0116	3.7199	2.0773	2.0521	2.6569	2.7183	3.3608
C3	1.4059	3.4805		4.5773	2.3592	3.0994	1.0981	5.0537	1.0903	5.3869	1.0994	4.5704	2.4893	3.5260	4.0505	2.8869
C4	3.4805	1.4059	4.5773		2.3592	3.0994	5.0537	1.0981	5.3869	1.0903	4.5704	1.0994	2.4893	3.5260	2.8869	4.0505
C5	1.4006	1.4006	2.3592	2.3592		1.5209	2.7151	2.7151	3.2641	3.2641	2.6354	2.6354	1.1080	2.1407	2.1694	2.1694
C6	2.4169	2.4169	3.0994	3.0994	1.5209		2.8948	2.8948	4.0223	4.0223	3.5747	3.5747	2.1735	1.0919	1.0930	1.0930
H7	2.0898	4.0176	1.0981	5.0537	2.7151	2.8948		5.3163	1.7756	5.9561	1.7857	5.1036	2.8652	3.3266	3.8425	2.3215
H8	4.0176	2.0898	5.0537	1.0981	2.7151	2.8948	5.3163		5.9561	1.7756	5.1036	1.7857	2.8652	3.3266	2.3215	3.8425
H9	2.0116	4.1847	1.0903	5.3869	3.2641	4.0223	1.7756	5.9561		6.0799	1.7811	5.4141	3.4922	4.2504	5.0323	3.8212
H10	4.1847	2.0116	5.3869	1.0903	3.2641	4.0223	5.9561	1.7756	6.0799		5.4141	1.7811	3.4922	4.2504	3.8212	5.0323
H11	2.0773	3.7199	1.0994	4.5704	2.6354	3.5747	1.7857	5.1036	1.7811	5.4141		4.2995	2.2833	4.2329	4.3426	3.3579
H12	3.7199	2.0773	4.5704	1.0994	2.6354	3.5747	5.1036	1.7857	5.4141	1.7811	4.2995		2.2833	4.2329	3.3579	4.3426
H13	2.0521	2.0521	2.4893	2.4893	1.1080	2.1735	2.8652	2.8652	3.4922	3.4922	2.2833	2.2833		3.0679	2.5223	2.5223
H14	2.6569	2.6569	3.5260	3.5260	2.1407	1.0919	3.3266	3.3266	4.2504	4.2504	4.2329	4.2329	3.0679		1.7791	1.7791
H15	3.3608	2.7183	4.0505	2.8869	2.1694	1.0930	3.8425	2.3215	5.0323	3.8212	4.3426	3.3579	2.5223	1.7791		1.7636
H16	2.7183	3.3608	2.8869	4.0505	2.1694	1.0930	2.3215	3.8425	3.8212	5.0323	3.3579	4.3426	2.5223	1.7791	1.7636

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H7	112.564	O1	C3	H9	106.702
O1	C3	H11	111.442	O1	C5	O2	104.488
O1	C5	C6	111.578	O1	C5	H13	109.223
O2	C4	H8	112.564	O2	C4	H10	106.702
O2	C4	H12	111.442	O2	C5	C6	111.578
O2	C5	H13	109.223	C3	O1	C5	114.412
C4	O2	C5	114.412	C5	C6	H14	108.922
C5	C6	H15	111.128	C5	C6	H16	111.128
C6	C5	H13	110.558	H7	C3	H9	108.461
H7	C3	H11	108.702	H8	C4	H10	108.461
H8	C4	H12	108.702	H9	C3	H11	108.858
H10	C4	H12	108.858	H14	C6	H15	109.026
H14	C6	H16	109.026	H15	C6	H16	107.563

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

using model chemistry: mPW1PW91/6-31+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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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	-0.304
2	O	-0.304
3	C	-0.258
4	C	-0.258
5	C	0.088
6	C	-0.494
7	H	0.141
8	H	0.141
9	H	0.169
10	H	0.169
11	H	0.143
12	H	0.143
13	H	0.102
14	H	0.199
15	H	0.162
16	H	0.162

	x	y	z	Total
	1.047	2.457	0.000	2.671
CHELPG
AIM
ESP

<r²>	198.911
(<r²>)^1/2	14.104

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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