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	hartrees
Energy at 0K	-308.728073
Energy at 298.15K	-308.739392
HF Energy	-308.728073
Nuclear repulsion energy	263.141092

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3062	3038	23.71
2	A'	3054	3029	31.64
3	A'	2979	2955	20.56
4	A'	2945	2921	120.80
5	A'	2907	2883	71.86
6	A'	2823	2800	65.22
7	A'	1501	1489	1.84
8	A'	1493	1481	1.37
9	A'	1472	1460	7.97
10	A'	1459	1447	2.14
11	A'	1392	1380	28.38
12	A'	1354	1343	26.06
13	A'	1217	1207	15.76
14	A'	1155	1145	6.18
15	A'	1113	1104	40.00
16	A'	1102	1094	4.76
17	A'	1021	1013	51.34
18	A'	821	814	6.95
19	A'	516	512	6.77
20	A'	425	422	9.77
21	A'	245	243	2.53
22	A'	178	176	1.31
23	A'	56	55	3.89
24	A"	3054	3029	28.18
25	A"	3035	3011	41.62
26	A"	2944	2920	19.42
27	A"	2904	2881	71.13
28	A"	1501	1489	12.06
29	A"	1478	1466	1.74
30	A"	1477	1465	0.62
31	A"	1459	1447	0.15
32	A"	1363	1352	62.98
33	A"	1178	1168	35.21
34	A"	1151	1141	2.18
35	A"	1102	1093	290.65
36	A"	1041	1033	113.47
37	A"	867	860	18.07
38	A"	453	449	2.43
39	A"	335	332	1.13
40	A"	236	234	0.07
41	A"	199	197	0.00
42	A"	38	38	0.04

Atom	x (Å)	y (Å)	z (Å)
O1	-0.496	-0.453	1.125
O2	-0.496	-0.453	-1.125
C3	-0.496	0.338	2.305
C4	-0.496	0.338	-2.305
C5	0.148	0.119	0.000
C6	1.660	-0.194	0.000
H7	0.521	0.515	2.711
H8	0.521	0.515	-2.711
H9	-1.074	-0.215	3.060
H10	-1.074	-0.215	-3.060
H11	-0.978	1.325	2.146
H12	-0.978	1.325	-2.146
H13	-0.010	1.225	0.000
H14	1.797	-1.286	0.000
H15	2.157	0.227	-0.890
H16	2.157	0.227	0.890

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.2506	1.4202	3.5200	1.4170	2.4457	2.1180	4.0853	2.0330	4.2315	2.1065	3.7544	2.0786	2.6862	3.4000	2.7484
O2	2.2506		3.5200	1.4202	1.4170	2.4457	4.0853	2.1180	4.2315	2.0330	3.7544	2.1065	2.0786	2.6862	2.7484	3.4000
C3	1.4202	3.5200		4.6091	2.4027	3.2002	1.1092	5.1208	1.1002	5.4236	1.1101	4.5839	2.5168	3.6338	4.1538	3.0082
C4	3.5200	1.4202	4.6091		2.4027	3.2002	5.1208	1.1092	5.4236	1.1002	4.5839	1.1101	2.5168	3.6338	3.0082	4.1538
C5	1.4170	1.4170	2.4027	2.4027		1.5444	2.7652	2.7652	3.3115	3.3115	2.7066	2.7066	1.1176	2.1664	2.2000	2.2000
C6	2.4457	2.4457	3.2002	3.2002	1.5444		3.0249	3.0249	4.1033	4.1033	3.7242	3.7242	2.1916	1.1006	1.1026	1.1026
H7	2.1180	4.0853	1.1092	5.1208	2.7652	3.0249		5.4223	1.7883	6.0315	1.7951	5.1470	2.8525	3.4958	3.9658	2.4648
H8	4.0853	2.1180	5.1208	1.1092	2.7652	3.0249	5.4223		6.0315	1.7883	5.1470	1.7951	2.8525	3.4958	2.4648	3.9658
H9	2.0330	4.2315	1.1002	5.4236	3.3115	4.1033	1.7883	6.0315		6.1194	1.7938	5.4294	3.5453	4.3301	5.1218	3.9166
H10	4.2315	2.0330	5.4236	1.1002	3.3115	4.1033	6.0315	1.7883	6.1194		5.4294	1.7938	3.5453	4.3301	3.9166	5.1218
H11	2.1065	3.7544	1.1101	4.5839	2.7066	3.7242	1.7951	5.1470	1.7938	5.4294		4.2914	2.3559	4.3727	4.4997	3.5508
H12	3.7544	2.1065	4.5839	1.1101	2.7066	3.7242	5.1470	1.7951	5.4294	1.7938	4.2914		2.3559	4.3727	3.5508	4.4997
H13	2.0786	2.0786	2.5168	2.5168	1.1176	2.1916	2.8525	2.8525	3.5453	3.5453	2.3559	2.3559		3.0937	2.5465	2.5465
H14	2.6862	2.6862	3.6338	3.6338	2.1664	1.1006	3.4958	3.4958	4.3301	4.3301	4.3727	4.3727	3.0937		1.7914	1.7914
H15	3.4000	2.7484	4.1538	3.0082	2.2000	1.1026	3.9658	2.4648	5.1218	3.9166	4.4997	3.5508	2.5465	1.7914		1.7801
H16	2.7484	3.4000	3.0082	4.1538	2.2000	1.1026	2.4648	3.9658	3.9166	5.1218	3.5508	4.4997	2.5465	1.7914	1.7801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H7	113.154	O1	C3	H9	106.845
O1	C3	H11	112.133	O1	C5	O2	105.148
O1	C5	C6	111.278	O1	C5	H13	109.621
O2	C4	H8	113.154	O2	C4	H10	106.845
O2	C4	H12	112.133	O2	C5	C6	111.278
O2	C5	H13	109.621	C3	O1	C5	115.744
C4	O2	C5	115.744	C5	C6	H14	108.827
C5	C6	H15	111.342	C5	C6	H16	111.342
C6	C5	H13	109.795	H7	C3	H9	108.075
H7	C3	H11	107.973	H8	C4	H10	108.075
H8	C4	H12	107.973	H9	C3	H11	108.498
H10	C4	H12	108.498	H14	C6	H15	108.805
H14	C6	H16	108.805	H15	C6	H16	107.657

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

using model chemistry: BLYP/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	-0.417
2	O	-0.417
3	C	-0.184
4	C	-0.184
5	C	0.363
6	C	-0.431
7	H	0.122
8	H	0.122
9	H	0.149
10	H	0.149
11	H	0.121
12	H	0.121
13	H	0.073
14	H	0.154
15	H	0.130
16	H	0.130

	x	y	z	Total
	0.883	2.040	0.000	2.223
CHELPG
AIM
ESP

	x	y	z
x	7.380	-0.139	0.000
y	-0.139	6.750	0.000
z	0.000	0.000	9.760

<r²>	203.920
(<r²>)^1/2	14.280

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

using model chemistry: BLYP/6-31G*

States and conformations

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