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	hartrees
Energy at 0K	-308.982571
Energy at 298.15K	-308.994066
Nuclear repulsion energy	266.239080

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3114	3011	25.38
2	A	3112	3009	13.72
3	A	3036	2935	23.84
4	A	3020	2920	79.06
5	A	2976	2878	68.64
6	A	2897	2801	54.69
7	A	1510	1460	4.59
8	A	1506	1456	5.11
9	A	1488	1439	13.39
10	A	1476	1427	2.89
11	A	1406	1360	42.28
12	A	1378	1333	10.92
13	A	1255	1214	23.10
14	A	1181	1142	11.20
15	A	1155	1117	34.67
16	A	1127	1090	3.27
17	A	1063	1027	54.22
18	A	843	815	6.25
19	A	533	516	7.17
20	A	444	429	9.62
21	A	251	242	3.01
22	A	174	168	1.51
23	A	59	57	4.28
24	A	3112	3009	22.66
25	A	3096	2993	32.73
26	A	3019	2920	15.48
27	A	2974	2876	62.23
28	A	1511	1461	8.92
29	A	1495	1446	0.50
30	A	1488	1439	3.50
31	A	1477	1428	0.65
32	A	1393	1347	40.94
33	A	1209	1169	66.05
34	A	1177	1138	2.51
35	A	1145	1107	333.19
36	A	1074	1039	57.91
37	A	903	873	12.92
38	A	465	450	1.98
39	A	346	335	0.87
40	A	231	223	0.02
41	A	195	188	0.06
42	A	44	43	0.12

Atom	x (Å)	y (Å)	z (Å)
O1	-0.474	-0.494	1.112
O2	-0.474	-0.494	-1.112
C3	-0.474	0.270	2.298
C4	-0.474	0.270	-2.298
C5	0.106	0.140	0.000
C6	1.624	-0.004	0.000
H7	0.537	0.456	2.676
H8	0.537	0.456	-2.676
H9	-1.021	-0.304	3.043
H10	-1.021	-0.304	-3.043
H11	-0.977	1.233	2.153
H12	-0.977	1.233	-2.153
H13	-0.182	1.206	0.000
H14	1.881	-1.063	0.000
H15	2.061	0.468	-0.880
H16	2.061	0.468	0.880

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.2237	1.4112	3.4946	1.4054	2.4243	2.0908	4.0337	2.0156	4.1945	2.0787	3.7277	2.0526	2.6655	3.3647	2.7216
O2	2.2237		3.4946	1.4112	1.4054	2.4243	4.0337	2.0908	4.1945	2.0156	3.7277	2.0787	2.0526	2.6655	2.7216	3.3647
C3	1.4112	3.4946		4.5963	2.3739	3.1237	1.0953	5.0790	1.0877	5.3993	1.0965	4.5817	2.4987	3.5501	4.0704	2.9116
C4	3.4946	1.4112	4.5963		2.3739	3.1237	5.0790	1.0953	5.3993	1.0877	4.5817	1.0965	2.4987	3.5501	2.9116	4.0704
C5	1.4054	1.4054	2.3739	2.3739		1.5243	2.7285	2.7285	3.2749	3.2749	2.6465	2.6465	1.1043	2.1437	2.1688	2.1688
C6	2.4243	2.4243	3.1237	3.1237	1.5243		2.9243	2.9243	4.0423	4.0423	3.5960	3.5960	2.1735	1.0893	1.0904	1.0904
H7	2.0908	4.0337	1.0953	5.0790	2.7285	2.9243		5.3513	1.7720	5.9753	1.7808	5.1197	2.8702	3.3573	3.8686	2.3552
H8	4.0337	2.0908	5.0790	1.0953	2.7285	2.9243	5.3513		5.9753	1.7720	5.1197	1.7808	2.8702	3.3573	2.3552	3.8686
H9	2.0156	4.1945	1.0877	5.3993	3.2749	4.0423	1.7720	5.9753		6.0851	1.7772	5.4183	3.4991	4.2721	5.0480	3.8434
H10	4.1945	2.0156	5.3993	1.0877	3.2749	4.0423	5.9753	1.7720	6.0851		5.4183	1.7772	3.4991	4.2721	3.8434	5.0480
H11	2.0787	3.7277	1.0965	4.5817	2.6465	3.5960	1.7808	5.1197	1.7772	5.4183		4.3056	2.2953	4.2515	4.3607	3.3820
H12	3.7277	2.0787	4.5817	1.0965	2.6465	3.5960	5.1197	1.7808	5.4183	1.7772	4.3056		2.2953	4.2515	3.3820	4.3607
H13	2.0526	2.0526	2.4987	2.4987	1.1043	2.1735	2.8702	2.8702	3.4991	3.4991	2.2953	2.2953		3.0661	2.5197	2.5197
H14	2.6655	2.6655	3.5501	3.5501	2.1437	1.0893	3.3573	3.3573	4.2721	4.2721	4.2515	4.2515	3.0661		1.7750	1.7750
H15	3.3647	2.7216	4.0704	2.9116	2.1688	1.0904	3.8686	2.3552	5.0480	3.8434	4.3607	3.3820	2.5197	1.7750		1.7601
H16	2.7216	3.3647	2.9116	4.0704	2.1688	1.0904	2.3552	3.8686	3.8434	5.0480	3.3820	4.3607	2.5197	1.7750	1.7601

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H7	112.442	O1	C3	H9	106.816
O1	C3	H11	111.366	O1	C5	O2	104.577
O1	C5	C6	111.619	O1	C5	H13	109.148
O2	C4	H8	112.442	O2	C4	H10	106.816
O2	C4	H12	111.366	O2	C5	C6	111.619
O2	C5	H13	109.148	C3	O1	C5	114.877
C4	O2	C5	114.877	C5	C6	H14	109.078
C5	C6	H15	111.002	C5	C6	H16	111.002
C6	C5	H13	110.536	H7	C3	H9	108.532
H7	C3	H11	108.674	H8	C4	H10	108.532
H8	C4	H12	108.674	H9	C3	H11	108.911
H10	C4	H12	108.911	H14	C6	H15	109.042
H14	C6	H16	109.042	H15	C6	H16	107.630

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

using model chemistry: B3LYP/6-311+G(3df,2p)

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	-0.659
2	O	-0.659
3	C	-0.128
4	C	-0.128
5	C	0.539
6	C	-0.325
7	H	0.128
8	H	0.128
9	H	0.139
10	H	0.139
11	H	0.127
12	H	0.127
13	H	0.125
14	H	0.160
15	H	0.143
16	H	0.143

	x	y	z	Total
	1.001	2.246	0.000	2.459
CHELPG
AIM
ESP

	x	y	z
x	8.809	-0.122	0.000
y	-0.122	8.148	0.000
z	0.000	0.000	10.897

<r²>	200.628
(<r²>)^1/2	14.164

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

using model chemistry: B3LYP/6-311+G(3df,2p)

States and conformations

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