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	hartrees
Energy at 0K	-308.985686
Energy at 298.15K	-308.997193
Nuclear repulsion energy	266.143228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3117	3013	22.56
2	A	3112	3008	22.02
3	A	3039	2937	20.64
4	A	3018	2918	92.60
5	A	2976	2877	68.33
6	A	2902	2805	56.35
7	A	1511	1460	4.00
8	A	1504	1454	3.99
9	A	1486	1436	12.54
10	A	1474	1425	2.51
11	A	1407	1360	48.25
12	A	1381	1335	9.35
13	A	1254	1212	22.73
14	A	1180	1141	12.00
15	A	1155	1116	36.78
16	A	1128	1091	2.55
17	A	1062	1026	53.40
18	A	843	815	6.47
19	A	533	515	6.75
20	A	443	428	9.94
21	A	250	242	2.77
22	A	175	169	1.42
23	A	60	58	3.98
24	A	3112	3008	22.69
25	A	3098	2995	34.88
26	A	3018	2917	16.70
27	A	2974	2875	61.79
28	A	1511	1461	8.98
29	A	1494	1444	0.79
30	A	1487	1438	3.43
31	A	1476	1426	0.24
32	A	1394	1347	44.63
33	A	1208	1168	67.93
34	A	1177	1138	2.47
35	A	1145	1106	326.07
36	A	1076	1040	62.33
37	A	903	873	12.83
38	A	464	448	1.95
39	A	346	335	1.05
40	A	229	221	0.04
41	A	196	189	0.04
42	A	46	44	0.11

Atom	x (Å)	y (Å)	z (Å)
O1	-0.477	-0.489	1.113
O2	-0.477	-0.489	-1.113
C3	-0.477	0.285	2.294
C4	-0.477	0.285	-2.294
C5	0.114	0.136	0.000
C6	1.627	-0.040	0.000
H7	0.533	0.467	2.677
H8	0.533	0.467	-2.677
H9	-1.033	-0.279	3.040
H10	-1.033	-0.279	-3.040
H11	-0.971	1.252	2.140
H12	-0.971	1.252	-2.140
H13	-0.151	1.208	0.000
H14	1.859	-1.105	0.000
H15	2.075	0.422	-0.881
H16	2.075	0.422	0.881

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.2259	1.4119	3.4937	1.4069	2.4229	2.0930	4.0372	2.0165	4.1953	2.0809	3.7227	2.0551	2.6605	3.3645	2.7202
O2	2.2259		3.4937	1.4119	1.4069	2.4229	4.0372	2.0930	4.1953	2.0165	3.7227	2.0809	2.0551	2.6605	2.7202	3.3645
C3	1.4119	3.4937		4.5879	2.3738	3.1303	1.0958	5.0760	1.0878	5.3925	1.0968	4.5653	2.4941	3.5572	4.0759	2.9212
C4	3.4937	1.4119	4.5879		2.3738	3.1303	5.0760	1.0958	5.3925	1.0878	4.5653	1.0968	2.4941	3.5572	2.9212	4.0759
C5	1.4069	1.4069	2.3738	2.3738		1.5233	2.7297	2.7297	3.2758	3.2758	2.6468	2.6468	1.1039	2.1410	2.1685	2.1685
C6	2.4229	2.4229	3.1303	3.1303	1.5233		2.9363	2.9363	4.0467	4.0467	3.6063	3.6063	2.1723	1.0894	1.0905	1.0905
H7	2.0930	4.0372	1.0958	5.0760	2.7297	2.9363		5.3542	1.7718	5.9745	1.7799	5.1076	2.8606	3.3757	3.8779	2.3683
H8	4.0372	2.0930	5.0760	1.0958	2.7297	2.9363	5.3542		5.9745	1.7718	5.1076	1.7799	2.8606	3.3757	2.3683	3.8779
H9	2.0165	4.1953	1.0878	5.3925	3.2758	4.0467	1.7718	5.9745		6.0803	1.7772	5.4024	3.4973	4.2763	5.0520	3.8490
H10	4.1953	2.0165	5.3925	1.0878	3.2758	4.0467	5.9745	1.7718	6.0803		5.4024	1.7772	3.4973	4.2763	3.8490	5.0520
H11	2.0809	3.7227	1.0968	4.5653	2.6468	3.6063	1.7799	5.1076	1.7772	5.4024		4.2806	2.2927	4.2600	4.3702	3.4000
H12	3.7227	2.0809	4.5653	1.0968	2.6468	3.6063	5.1076	1.7799	5.4024	1.7772	4.2806		2.2927	4.2600	3.4000	4.3702
H13	2.0551	2.0551	2.4941	2.4941	1.1039	2.1723	2.8606	2.8606	3.4973	3.4973	2.2927	2.2927		3.0638	2.5197	2.5197
H14	2.6605	2.6605	3.5572	3.5572	2.1410	1.0894	3.3757	3.3757	4.2763	4.2763	4.2600	4.2600	3.0638		1.7752	1.7752
H15	3.3645	2.7202	4.0759	2.9212	2.1685	1.0905	3.8779	2.3683	5.0520	3.8490	4.3702	3.4000	2.5197	1.7752		1.7611
H16	2.7202	3.3645	2.9212	4.0759	2.1685	1.0905	2.3683	3.8779	3.8490	5.0520	3.4000	4.3702	2.5197	1.7752	1.7611

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H7	112.546	O1	C3	H9	106.828
O1	C3	H11	111.470	O1	C5	O2	104.570
O1	C5	C6	111.497	O1	C5	H13	109.276
O2	C4	H8	112.546	O2	C4	H10	106.828
O2	C4	H12	111.470	O2	C5	C6	111.497
O2	C5	H13	109.276	C3	O1	C5	114.727
C4	O2	C5	114.727	C5	C6	H14	108.935
C5	C6	H15	111.038	C5	C6	H16	111.038
C6	C5	H13	110.539	H7	C3	H9	108.468
H7	C3	H11	108.544	H8	C4	H10	108.468
H8	C4	H12	108.544	H9	C3	H11	108.880
H10	C4	H12	108.880	H14	C6	H15	109.044
H14	C6	H16	109.044	H15	C6	H16	107.697

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

using model chemistry: B3LYP/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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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	ESP
1	O	-0.270	-0.392
2	O	-0.270	-0.392
3	C	-0.103	0.001
4	C	-0.103	0.001
5	C	0.297	0.602
6	C	-0.290	-0.542
7	H	0.062	0.032
8	H	0.062	0.032
9	H	0.111	0.093
10	H	0.111	0.093
11	H	0.060	0.026
12	H	0.060	0.026
13	H	-0.001	-0.006
14	H	0.103	0.166
15	H	0.085	0.129
16	H	0.085	0.129

	x	y	z	Total
	0.925	2.120	0.000	2.313
CHELPG
AIM
ESP	0.948	2.146	0.000	2.346

	x	y	z
x	8.349	-0.190	0.000
y	-0.190	7.688	0.000
z	0.000	0.000	10.495

<r²>	200.512
(<r²>)^1/2	14.160

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

using model chemistry: B3LYP/cc-pVTZ

States and conformations

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