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	hartrees
Energy at 0K	-305.285991
Energy at 298.15K	-305.297723
Nuclear repulsion energy	264.090190

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3302	2991	48.78
2	A	3301	2989	3.52
3	A	3228	2923	111.13
4	A	3218	2914	11.91
5	A	3182	2882	53.33
6	A	3137	2841	45.52
7	A	1696	1536	1.04
8	A	1681	1522	11.74
9	A	1663	1506	7.39
10	A	1633	1479	0.51
11	A	1570	1422	23.68
12	A	1527	1383	45.69
13	A	1343	1216	17.06
14	A	1271	1151	10.39
15	A	1240	1123	47.91
16	A	1216	1101	5.41
17	A	1098	994	52.84
18	A	889	805	12.19
19	A	548	496	10.83
20	A	448	406	19.14
21	A	252	229	5.33
22	A	182	165	1.89
23	A	63	57	9.14
24	A	3302	2990	20.76
25	A	3275	2966	39.98
26	A	3225	2921	14.23
27	A	3180	2880	33.28
28	A	1696	1536	11.28
29	A	1678	1520	0.03
30	A	1663	1506	1.51
31	A	1639	1485	0.85
32	A	1547	1401	95.57
33	A	1312	1188	242.37
34	A	1271	1151	59.78
35	A	1268	1148	31.26
36	A	1160	1051	135.13
37	A	977	885	1.20
38	A	474	429	2.04
39	A	352	318	2.48
40	A	246	223	0.18
41	A	200	181	0.08
42	A	55	49	0.39

Atom	x (Å)	y (Å)	z (Å)
O1	-0.483	-0.458	1.129
O2	-0.483	-0.458	-1.129
C3	-0.483	0.317	2.336
C4	-0.483	0.317	-2.336
C5	0.134	0.139	0.000
C6	1.632	-0.144	0.000
H7	0.517	0.459	2.730
H8	0.517	0.459	-2.730
H9	-1.068	-0.239	3.052
H10	-1.068	-0.239	-3.052
H11	-0.939	1.290	2.181
H12	-0.939	1.290	-2.181
H13	-0.051	1.212	0.000
H14	1.769	-1.217	0.000
H15	2.105	0.276	-0.878
H16	2.105	0.276	0.878

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.2572	1.4352	3.5507	1.4181	2.4177	2.0990	4.0902	2.0227	4.2275	2.0905	3.7703	2.0614	2.6312	3.3564	2.7018
O2	2.2572		3.5507	1.4352	1.4181	2.4177	4.0902	2.0990	4.2275	2.0227	3.7703	2.0905	2.0614	2.6312	2.7018	3.3564
C3	1.4352	3.5507		4.6729	2.4232	3.1851	1.0842	5.1660	1.0784	5.4489	1.0856	4.6432	2.5390	3.5896	4.1274	2.9708
C4	3.5507	1.4352	4.6729		2.4232	3.1851	5.1660	1.0842	5.4489	1.0784	4.6432	1.0856	2.5390	3.5896	2.9708	4.1274
C5	1.4181	1.4181	2.4232	2.4232		1.5243	2.7751	2.7751	3.3021	3.3021	2.6892	2.6892	1.0889	2.1240	2.1622	2.1622
C6	2.4177	2.4177	3.1851	3.1851	1.5243		3.0097	3.0097	4.0760	4.0760	3.6635	3.6635	2.1613	1.0809	1.0826	1.0826
H7	2.0990	4.0902	1.0842	5.1660	2.7751	3.0097		5.4596	1.7613	6.0360	1.7640	5.1888	2.8881	3.4392	3.9464	2.4459
H8	4.0902	2.0990	5.1660	1.0842	2.7751	3.0097	5.4596		6.0360	1.7613	5.1888	1.7640	2.8881	3.4392	2.4459	3.9464
H9	2.0227	4.2275	1.0784	5.4489	3.3021	4.0760	1.7613	6.0360		6.1050	1.7642	5.4533	3.5291	4.2807	5.0776	3.8803
H10	4.2275	2.0227	5.4489	1.0784	3.3021	4.0760	6.0360	1.7613	6.1050		5.4533	1.7642	3.5291	4.2807	3.8803	5.0776
H11	2.0905	3.7703	1.0856	4.6432	2.6892	3.6635	1.7640	5.1888	1.7642	5.4533		4.3615	2.3559	4.2864	4.4330	3.4625
H12	3.7703	2.0905	4.6432	1.0856	2.6892	3.6635	5.1888	1.7640	5.4533	1.7642	4.3615		2.3559	4.2864	3.4625	4.4330
H13	2.0614	2.0614	2.5390	2.5390	1.0889	2.1613	2.8881	2.8881	3.5291	3.5291	2.3559	2.3559		3.0349	2.5090	2.5090
H14	2.6312	2.6312	3.5896	3.5896	2.1240	1.0809	3.4392	3.4392	4.2807	4.2807	4.2864	4.2864	3.0349		1.7640	1.7640
H15	3.3564	2.7018	4.1274	2.9708	2.1622	1.0826	3.9464	2.4459	5.0776	3.8803	4.4330	3.4625	2.5090	1.7640		1.7568
H16	2.7018	3.3564	2.9708	4.1274	2.1622	1.0826	2.4459	3.9464	3.8803	5.0776	3.4625	4.4330	2.5090	1.7640	1.7568

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H7	112.096	O1	C3	H9	106.299
O1	C3	H11	111.303	O1	C5	O2	105.475
O1	C5	C6	110.456	O1	C5	H13	109.929
O2	C4	H8	112.096	O2	C4	H10	106.299
O2	C4	H12	111.303	O2	C5	C6	110.456
O2	C5	H13	109.929	C3	O1	C5	116.261
C4	O2	C5	116.261	C5	C6	H14	108.019
C5	C6	H15	110.933	C5	C6	H16	110.933
C6	C5	H13	110.484	H7	C3	H9	109.073
H7	C3	H11	108.776	H8	C4	H10	109.073
H8	C4	H12	108.776	H9	C3	H11	109.221
H10	C4	H12	109.221	H14	C6	H15	109.235
H14	C6	H16	109.235	H15	C6	H16	108.458

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

using model chemistry: HF/3-21G

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	CHELPG	ESP
1	O	-0.656	-0.516	-0.551
2	O	-0.656	-0.516	-0.551
3	C	-0.265	0.147	0.060
4	C	-0.265	0.147	0.060
5	C	0.489	0.791	0.800
6	C	-0.630	-0.441	-0.636
7	H	0.182	0.002	0.039
8	H	0.182	0.002	0.039
9	H	0.227	0.061	0.098
10	H	0.227	0.061	0.098
11	H	0.182	0.004	0.036
12	H	0.182	0.004	0.036
13	H	0.164	-0.062	-0.022
14	H	0.244	0.130	0.198
15	H	0.197	0.092	0.147
16	H	0.197	0.092	0.147

	x	y	z	Total
	1.334	3.082	0.000	3.358
CHELPG	1.160	2.481	0.000	2.739
AIM
ESP	1.342	3.087	0.000	3.366

	x	y	z
x	6.119	-0.132	0.000
y	-0.132	5.752	0.000
z	0.000	0.000	8.175

<r²>	204.180
(<r²>)^1/2	14.289

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

using model chemistry: HF/3-21G

States and conformations

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