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	hartrees
Energy at 0K	-307.101107
Energy at 298.15K	-307.112958
Nuclear repulsion energy	268.873268

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3254	2957	48.10
2	A	3247	2950	21.79
3	A	3179	2889	118.24
4	A	3169	2879	15.74
5	A	3135	2849	85.51
6	A	3084	2802	35.24
7	A	1631	1482	4.86
8	A	1627	1478	3.48
9	A	1615	1467	12.99
10	A	1600	1454	3.34
11	A	1546	1405	55.87
12	A	1501	1364	11.44
13	A	1389	1262	35.80
14	A	1294	1176	52.99
15	A	1282	1165	9.04
16	A	1224	1112	3.49
17	A	1167	1060	53.62
18	A	910	827	6.99
19	A	576	523	7.61
20	A	482	438	13.35
21	A	276	251	3.39
22	A	179	162	1.91
23	A	56	51	4.49
24	A	3253	2956	36.05
25	A	3229	2934	58.19
26	A	3176	2885	13.52
27	A	3132	2846	54.17
28	A	1634	1484	0.84
29	A	1623	1475	5.87
30	A	1618	1470	8.46
31	A	1602	1455	0.98
32	A	1544	1402	63.67
33	A	1343	1221	230.32
34	A	1286	1168	2.99
35	A	1272	1156	270.86
36	A	1187	1079	50.86
37	A	1007	915	5.68
38	A	497	452	1.17
39	A	377	343	1.03
40	A	251	228	0.01
41	A	204	185	0.16
42	A	35	32	0.32

Atom	x (Å)	y (Å)	z (Å)
O1	-0.486	-0.437	1.101
O2	-0.486	-0.437	-1.101
C3	-0.486	0.329	2.261
C4	-0.486	0.329	-2.261
C5	0.141	0.116	0.000
C6	1.629	-0.194	0.000
H7	0.517	0.498	2.643
H8	0.517	0.498	-2.643
H9	-1.047	-0.216	3.005
H10	-1.047	-0.216	-3.005
H11	-0.963	1.292	2.099
H12	-0.963	1.292	-2.099
H13	-0.019	1.197	0.000
H14	1.767	-1.268	0.000
H15	2.112	0.223	-0.875
H16	2.112	0.223	0.875

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.2017	1.3899	3.4476	1.3824	2.3968	2.0640	3.9874	1.9973	4.1497	2.0529	3.6682	2.0249	2.6410	3.3302	2.6898
O2	2.2017		3.4476	1.3899	1.3824	2.3968	3.9874	2.0640	4.1497	1.9973	3.6682	2.0529	2.0249	2.6410	2.6898	3.3302
C3	1.3899	3.4476		4.5211	2.3554	3.1396	1.0863	5.0082	1.0797	5.3230	1.0873	4.4898	2.4660	3.5682	4.0736	2.9459
C4	3.4476	1.3899	4.5211		2.3554	3.1396	5.0082	1.0863	5.3230	1.0797	4.4898	1.0873	2.4660	3.5682	2.9459	4.0736
C5	1.3824	1.3824	2.3554	2.3554		1.5204	2.6971	2.6971	3.2482	3.2482	2.6470	2.6470	1.0925	2.1349	2.1594	2.1594
C6	2.3968	2.3968	3.1396	3.1396	1.5204		2.9505	2.9505	4.0241	4.0241	3.6517	3.6517	2.1571	1.0821	1.0832	1.0832
H7	2.0640	3.9874	1.0863	5.0082	2.6971	2.9505		5.2867	1.7569	5.9039	1.7655	5.0305	2.7861	3.4160	3.8734	2.3973
H8	3.9874	2.0640	5.0082	1.0863	2.6971	2.9505	5.2867		5.9039	1.7569	5.0305	1.7655	2.7861	3.4160	2.3973	3.8734
H9	1.9973	4.1497	1.0797	5.3230	3.2482	4.0241	1.7569	5.9039		6.0094	1.7612	5.3220	3.4758	4.2490	5.0229	3.8351
H10	4.1497	1.9973	5.3230	1.0797	3.2482	4.0241	5.9039	1.7569	6.0094		5.3220	1.7612	3.4758	4.2490	3.8351	5.0229
H11	2.0529	3.6682	1.0873	4.4898	2.6470	3.6517	1.7655	5.0305	1.7612	5.3220		4.1972	2.3031	4.2906	4.4098	3.4782
H12	3.6682	2.0529	4.4898	1.0873	2.6470	3.6517	5.0305	1.7655	5.3220	1.7612	4.1972		2.3031	4.2906	3.4782	4.4098
H13	2.0249	2.0249	2.4660	2.4660	1.0925	2.1571	2.7861	2.7861	3.4758	3.4758	2.3031	2.3031		3.0435	2.5016	2.5016
H14	2.6410	2.6410	3.5682	3.5682	2.1349	1.0821	3.4160	3.4160	4.2490	4.2490	4.2906	4.2906	3.0435		1.7625	1.7625
H15	3.3302	2.6898	4.0736	2.9459	2.1594	1.0832	3.8734	2.3973	5.0229	3.8351	4.4098	3.4782	2.5016	1.7625		1.7509
H16	2.6898	3.3302	2.9459	4.0736	2.1594	1.0832	2.3973	3.8734	3.8351	5.0229	3.4782	4.4098	2.5016	1.7625	1.7509

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H7	112.340	O1	C3	H9	107.280
O1	C3	H11	111.349	O1	C5	O2	105.560
O1	C5	C6	111.229	O1	C5	H13	109.243
O2	C4	H8	112.340	O2	C4	H10	107.280
O2	C4	H12	111.349	O2	C5	C6	111.229
O2	C5	H13	109.243	C3	O1	C5	116.342
C4	O2	C5	116.342	C5	C6	H14	109.078
C5	C6	H15	110.959	C5	C6	H16	110.959
C6	C5	H13	110.213	H7	C3	H9	108.415
H7	C3	H11	108.626	H8	C4	H10	108.415
H8	C4	H12	108.626	H9	C3	H11	108.728
H10	C4	H12	108.728	H14	C6	H15	108.975
H14	C6	H16	108.975	H15	C6	H16	107.847

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

using model chemistry: HF/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	-0.887
2	O	-0.887
3	C	0.017
4	C	0.017
5	C	0.861
6	C	-0.231
7	H	0.103
8	H	0.103
9	H	0.116
10	H	0.116
11	H	0.104
12	H	0.104
13	H	0.089
14	H	0.140
15	H	0.118
16	H	0.118

	x	y	z	Total
	1.142	2.342	0.000	2.606
CHELPG
AIM
ESP

	x	y	z
x	7.940	-0.180	0.000
y	-0.180	7.397	0.000
z	0.000	0.000	9.592

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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