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	hartrees
Energy at 0K	-308.673854
Energy at 298.15K	-308.685283
HF Energy	-308.673854
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3098	3037	24.12
2	A'	3084	3023	37.09
3	A'	3004	2945	25.56
4	A'	2974	2916	126.68
5	A'	2928	2870	75.98
6	A'	2836	2780	77.09
7	A'	1513	1484	3.34
8	A'	1508	1479	0.25
9	A'	1483	1454	9.33
10	A'	1471	1442	2.58
11	A'	1403	1376	38.16
12	A'	1363	1336	19.88
13	A'	1235	1211	18.66
14	A'	1169	1146	6.87
15	A'	1137	1115	34.65
16	A'	1119	1097	5.29
17	A'	1047	1027	54.45
18	A'	833	817	7.07
19	A'	525	515	6.99
20	A'	436	428	9.71
21	A'	251	246	2.58
22	A'	184	181	1.87
23	A'	52	51	3.77
24	A"	3083	3023	27.49
25	A"	3072	3012	45.99
26	A"	2973	2915	20.25
27	A"	2925	2868	78.55
28	A"	1512	1483	10.88
29	A"	1490	1461	0.03
30	A"	1485	1456	3.40
31	A"	1472	1443	0.02
32	A"	1375	1348	66.75
33	A"	1193	1170	55.38
34	A"	1166	1143	4.26
35	A"	1130	1108	329.26
36	A"	1064	1043	78.24
37	A"	894	876	14.14
38	A"	464	455	2.54
39	A"	348	342	1.18
40	A"	245	240	0.01
41	A"	207	203	0.03
42	A"	35	34	0.04

Atom	x (Å)	y (Å)	z (Å)
O1	-0.465	-0.526	1.115
O2	-0.465	-0.526	-1.115
C3	-0.465	0.240	2.308
C4	-0.465	0.240	-2.308
C5	0.082	0.154	0.000
C6	1.612	0.095	0.000
H7	0.555	0.457	2.677
H8	0.555	0.457	-2.677
H9	-0.989	-0.361	3.061
H10	-0.989	-0.361	-3.061
H11	-0.999	1.201	2.177
H12	-0.999	1.201	-2.177
H13	-0.266	1.213	0.000
H14	1.927	-0.957	0.000
H15	2.028	0.594	-0.887
H16	2.028	0.594	0.887

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.2295	1.4174	3.5069	1.4151	2.4375	2.1084	4.0474	2.0226	4.2121	2.0964	3.7554	2.0747	2.6738	3.3871	2.7415
O2	2.2295		3.5069	1.4174	1.4151	2.4375	4.0474	2.1084	4.2121	2.0226	3.7554	2.0964	2.0747	2.6738	2.7415	3.3871
C3	1.4174	3.5069		4.6152	2.3729	3.1081	1.1058	5.0923	1.0970	5.4278	1.1072	4.6177	2.5122	3.5324	4.0674	2.8903
C4	3.5069	1.4174	4.6152		2.3729	3.1081	5.0923	1.1058	5.4278	1.0970	4.6177	1.1072	2.5122	3.5324	2.8903	4.0674
C5	1.4151	1.4151	2.3729	2.3729		1.5319	2.7352	2.7352	3.2836	3.2836	2.6467	2.6467	1.1149	2.1538	2.1835	2.1835
C6	2.4375	2.4375	3.1081	3.1081	1.5319		2.9009	2.9009	4.0428	4.0428	3.5756	3.5756	2.1863	1.0977	1.0993	1.0993
H7	2.1084	4.0474	1.1058	5.0923	2.7352	2.9009		5.3537	1.7885	5.9982	1.7939	5.1508	2.9002	3.3239	3.8589	2.3217
H8	4.0474	2.1084	5.0923	1.1058	2.7352	2.9009	5.3537		5.9982	1.7885	5.1508	1.7939	2.9002	3.3239	2.3217	3.8589
H9	2.0226	4.2121	1.0970	5.4278	3.2836	4.0428	1.7885	5.9982		6.1227	1.7943	5.4663	3.5171	4.2695	5.0597	3.8386
H10	4.2121	2.0226	5.4278	1.0970	3.2836	4.0428	5.9982	1.7885	6.1227		5.4663	1.7943	3.5171	4.2695	3.8386	5.0597
H11	2.0964	3.7554	1.1072	4.6177	2.6467	3.5756	1.7939	5.1508	1.7943	5.4663		4.3545	2.2974	4.2378	4.3501	3.3460
H12	3.7554	2.0964	4.6177	1.1072	2.6467	3.5756	5.1508	1.7939	5.4663	1.7943	4.3545		2.2974	4.2378	3.3460	4.3501
H13	2.0747	2.0747	2.5122	2.5122	1.1149	2.1863	2.9002	2.9002	3.5171	3.5171	2.2974	2.2974		3.0853	2.5364	2.5364
H14	2.6738	2.6738	3.5324	3.5324	2.1538	1.0977	3.3239	3.3239	4.2695	4.2695	4.2378	4.2378	3.0853		1.7891	1.7891
H15	3.3871	2.7415	4.0674	2.8903	2.1835	1.0993	3.8589	2.3217	5.0597	3.8386	4.3501	3.3460	2.5364	1.7891		1.7746
H16	2.7415	3.3871	2.8903	4.0674	2.1835	1.0993	2.3217	3.8589	3.8386	5.0597	3.3460	4.3501	2.5364	1.7891	1.7746

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H7	112.705	O1	C3	H9	106.592
O1	C3	H11	111.613	O1	C5	O2	104.549
O1	C5	C6	111.531	O1	C5	H13	109.356
O2	C4	H8	112.705	O2	C4	H10	106.592
O2	C4	H12	111.613	O2	C5	C6	111.531
O2	C5	H13	109.356	C3	O1	C5	114.201
C4	O2	C5	114.201	C5	C6	H14	108.658
C5	C6	H15	111.279	C5	C6	H16	111.279
C6	C5	H13	110.347	H7	C3	H9	108.527
H7	C3	H11	108.344	H8	C4	H10	108.527
H8	C4	H12	108.344	H9	C3	H11	108.956
H10	C4	H12	108.956	H14	C6	H15	108.987
H14	C6	H16	108.987	H15	C6	H16	107.601

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

using model chemistry: B97D3/6-31G*

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	-0.439
2	O	-0.439
3	C	-0.221
4	C	-0.221
5	C	0.366
6	C	-0.487
7	H	0.136
8	H	0.136
9	H	0.168
10	H	0.168
11	H	0.135
12	H	0.135
13	H	0.091
14	H	0.174
15	H	0.149
16	H	0.149

	x	y	z	Total
	0.843	2.106	0.000	2.268
CHELPG
AIM
ESP

	x	y	z
x	7.306	-0.088	0.000
y	-0.088	6.713	0.000
z	0.000	0.000	9.584

<r²>	200.908
(<r²>)^1/2	14.174

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

using model chemistry: B97D3/6-31G*

States and conformations

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