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	hartrees
Energy at 0K	-308.709191
Energy at 298.15K	-308.720648
Nuclear repulsion energy	267.887866

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3187	3025	16.16
2	A	3176	3015	27.54
3	A	3090	2934	19.98
4	A	3075	2919	100.41
5	A	3022	2869	57.44
6	A	2930	2782	69.83
7	A	1542	1463	1.93
8	A	1523	1446	2.21
9	A	1511	1435	13.46
10	A	1497	1422	2.97
11	A	1433	1360	64.68
12	A	1394	1323	7.87
13	A	1284	1218	24.17
14	A	1209	1147	34.94
15	A	1190	1130	0.46
16	A	1147	1089	9.98
17	A	1101	1045	49.81
18	A	861	817	7.03
19	A	538	511	6.64
20	A	450	427	11.42
21	A	246	234	2.61
22	A	164	156	1.55
23	A	60	57	4.47
24	A	3176	3015	22.14
25	A	3166	3005	32.43
26	A	3074	2919	14.89
27	A	3020	2867	61.32
28	A	1543	1465	8.17
29	A	1515	1439	0.82
30	A	1515	1438	7.68
31	A	1499	1423	0.80
32	A	1422	1350	75.37
33	A	1235	1173	280.31
34	A	1197	1137	155.14
35	A	1190	1130	5.15
36	A	1110	1054	12.05
37	A	937	889	5.22
38	A	468	444	2.27
39	A	338	321	1.06
40	A	222	211	0.08
41	A	184	174	0.00
42	A	50	48	0.06

Atom	x (Å)	y (Å)	z (Å)
O1	-0.458	-0.521	1.104
O2	-0.458	-0.521	-1.104
C3	-0.458	0.235	2.283
C4	-0.458	0.235	-2.283
C5	0.075	0.149	0.000
C6	1.593	0.100	0.000
H7	0.555	0.463	2.641
H8	0.555	0.463	-2.641
H9	-0.965	-0.362	3.041
H10	-0.965	-0.362	-3.041
H11	-1.001	1.183	2.157
H12	-1.001	1.183	-2.157
H13	-0.278	1.199	0.000
H14	1.909	-0.944	0.000
H15	2.004	0.596	-0.882
H16	2.004	0.596	0.882

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.2078	1.4008	3.4705	1.3969	2.4103	2.0869	4.0020	2.0085	4.1788	2.0748	3.7186	2.0518	2.6459	3.3547	2.7128
O2	2.2078		3.4705	1.4008	1.3969	2.4103	4.0020	2.0869	4.1788	2.0085	3.7186	2.0748	2.0518	2.6459	2.7128	3.3547
C3	1.4008	3.4705		4.5666	2.3462	3.0721	1.0981	5.0323	1.0900	5.3816	1.0993	4.5724	2.4851	3.4939	4.0264	2.8559
C4	3.4705	1.4008	4.5666		2.3462	3.0721	5.0323	1.0981	5.3816	1.0900	4.5724	1.0993	2.4851	3.4939	2.8559	4.0264
C5	1.3969	1.3969	2.3462	2.3462		1.5188	2.7023	2.7023	3.2542	3.2542	2.6225	2.6225	1.1078	2.1354	2.1680	2.1680
C6	2.4103	2.4103	3.0721	3.0721	1.5188		2.8604	2.8604	4.0003	4.0003	3.5429	3.5429	2.1696	1.0912	1.0925	1.0925
H7	2.0869	4.0020	1.0981	5.0323	2.7023	2.8604		5.2815	1.7751	5.9391	1.7816	5.0947	2.8652	3.2843	3.8115	2.2827
H8	4.0020	2.0869	5.0323	1.0981	2.7023	2.8604	5.2815		5.9391	1.7751	5.0947	1.7816	2.8652	3.2843	2.2827	3.8115
H9	2.0085	4.1788	1.0900	5.3816	3.2542	4.0003	1.7751	5.9391		6.0820	1.7805	5.4226	3.4870	4.2243	5.0124	3.7941
H10	4.1788	2.0085	5.3816	1.0900	3.2542	4.0003	5.9391	1.7751	6.0820		5.4226	1.7805	3.4870	4.2243	3.7941	5.0124
H11	2.0748	3.7186	1.0993	4.5724	2.6225	3.5429	1.7816	5.0947	1.7805	5.4226		4.3135	2.2750	4.2005	4.3139	3.3167
H12	3.7186	2.0748	4.5724	1.0993	2.6225	3.5429	5.0947	1.7816	5.4226	1.7805	4.3135		2.2750	4.2005	3.3167	4.3139
H13	2.0518	2.0518	2.4851	2.4851	1.1078	2.1696	2.8652	2.8652	3.4870	3.4870	2.2750	2.2750		3.0622	2.5195	2.5195
H14	2.6459	2.6459	3.4939	3.4939	2.1354	1.0912	3.2843	3.2843	4.2243	4.2243	4.2005	4.2005	3.0622		1.7779	1.7779
H15	3.3547	2.7128	4.0264	2.8559	2.1680	1.0925	3.8115	2.2827	5.0124	3.7941	4.3139	3.3167	2.5195	1.7779		1.7641
H16	2.7128	3.3547	2.8559	4.0264	2.1680	1.0925	2.2827	3.8115	3.7941	5.0124	3.3167	4.3139	2.5195	1.7779	1.7641

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H7	112.694	O1	C3	H9	106.823
O1	C3	H11	111.601	O1	C5	O2	104.425
O1	C5	C6	111.451	O1	C5	H13	109.469
O2	C4	H8	112.694	O2	C4	H10	106.823
O2	C4	H12	111.601	O2	C5	C6	111.451
O2	C5	H13	109.469	C3	O1	C5	113.991
C4	O2	C5	113.991	C5	C6	H14	108.700
C5	C6	H15	111.198	C5	C6	H16	111.198
C6	C5	H13	110.403	H7	C3	H9	108.437
H7	C3	H11	108.342	H8	C4	H10	108.437
H8	C4	H12	108.342	H9	C3	H11	108.833
H10	C4	H12	108.833	H14	C6	H15	109.013
H14	C6	H16	109.013	H15	C6	H16	107.672

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

using model chemistry: B1B95/6-31G*

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	-0.461
2	O	-0.461
3	C	-0.244
4	C	-0.244
5	C	0.358
6	C	-0.518
7	H	0.146
8	H	0.146
9	H	0.183
10	H	0.183
11	H	0.147
12	H	0.147
13	H	0.107
14	H	0.189
15	H	0.161
16	H	0.161

	x	y	z	Total
	0.878	2.208	0.000	2.376
CHELPG
AIM
ESP

	x	y	z
x	7.037	-0.092	0.000
y	-0.092	6.491	0.000
z	0.000	0.000	9.030

<r²>	197.144
(<r²>)^1/2	14.041

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

using model chemistry: B1B95/6-31G*

States and conformations

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