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	hartrees
Energy at 0K	-308.773340
Energy at 298.15K	-308.784868
Nuclear repulsion energy	267.185365

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3152	3030	14.85
2	A	3130	3009	26.58
3	A	3055	2937	17.07
4	A	3035	2918	92.60
5	A	2982	2867	53.27
6	A	2892	2781	63.07
7	A	1506	1448	3.75
8	A	1500	1442	1.59
9	A	1477	1420	13.92
10	A	1468	1411	2.45
11	A	1401	1347	58.84
12	A	1369	1316	2.63
13	A	1266	1217	24.36
14	A	1189	1143	33.11
15	A	1179	1133	0.61
16	A	1127	1083	9.50
17	A	1080	1038	47.36
18	A	847	814	5.36
19	A	534	514	5.12
20	A	447	430	9.59
21	A	251	241	2.31
22	A	179	172	1.48
23	A	60	58	3.50
24	A	3132	3011	11.04
25	A	3130	3009	39.66
26	A	3034	2917	14.39
27	A	2980	2865	65.29
28	A	1508	1449	6.53
29	A	1488	1430	2.75
30	A	1479	1422	6.51
31	A	1468	1411	0.00
32	A	1385	1331	57.88
33	A	1215	1168	163.14
34	A	1179	1134	21.84
35	A	1172	1127	244.25
36	A	1090	1048	11.57
37	A	920	885	6.66
38	A	464	447	2.10
39	A	344	331	0.92
40	A	232	223	0.02
41	A	200	192	0.03
42	A	50	48	0.06

Atom	x (Å)	y (Å)	z (Å)
O1	-0.465	-0.511	1.104
O2	-0.465	-0.511	-1.104
C3	-0.465	0.243	2.286
C4	-0.465	0.243	-2.286
C5	0.086	0.148	0.000
C6	1.609	0.067	0.000
H7	0.548	0.445	2.666
H8	0.548	0.445	-2.666
H9	-1.001	-0.342	3.037
H10	-1.001	-0.342	-3.037
H11	-0.982	1.207	2.156
H12	-0.982	1.207	-2.156
H13	-0.240	1.210	0.000
H14	1.909	-0.984	0.000
H15	2.030	0.558	-0.882
H16	2.030	0.558	0.882

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.2077	1.4022	3.4730	1.3990	2.4199	2.0925	4.0185	2.0135	4.1792	2.0799	3.7212	2.0567	2.6607	3.3636	2.7234
O2	2.2077		3.4730	1.4022	1.3990	2.4199	4.0185	2.0925	4.1792	2.0135	3.7212	2.0799	2.0567	2.6607	2.7234	3.3636
C3	1.4022	3.4730		4.5729	2.3540	3.0924	1.1006	5.0587	1.0927	5.3827	1.1018	4.5755	2.4928	3.5172	4.0457	2.8804
C4	3.4730	1.4022	4.5729		2.3540	3.0924	5.0587	1.1006	5.3827	1.0927	4.5755	1.1018	2.4928	3.5172	2.8804	4.0457
C5	1.3990	1.3990	2.3540	2.3540		1.5251	2.7215	2.7215	3.2634	3.2634	2.6292	2.6292	1.1107	2.1458	2.1735	2.1735
C6	2.4199	2.4199	3.0924	3.0924	1.5251		2.8939	2.8939	4.0260	4.0260	3.5588	3.5588	2.1740	1.0930	1.0941	1.0941
H7	2.0925	4.0185	1.1006	5.0587	2.7215	2.8939		5.3312	1.7771	5.9619	1.7838	5.1160	2.8830	3.3165	3.8468	2.3213
H8	4.0185	2.0925	5.0587	1.1006	2.7215	2.8939	5.3312		5.9619	1.7771	5.1160	1.7838	2.8830	3.3165	2.3213	3.8468
H9	2.0135	4.1792	1.0927	5.3827	3.2634	4.0260	1.7771	5.9619		6.0749	1.7829	5.4201	3.4952	4.2551	5.0364	3.8266
H10	4.1792	2.0135	5.3827	1.0927	3.2634	4.0260	5.9619	1.7771	6.0749		5.4201	1.7829	3.4952	4.2551	3.8266	5.0364
H11	2.0799	3.7212	1.1018	4.5755	2.6292	3.5588	1.7838	5.1160	1.7829	5.4201		4.3127	2.2805	4.2202	4.3276	3.3341
H12	3.7212	2.0799	4.5755	1.1018	2.6292	3.5588	5.1160	1.7838	5.4201	1.7829	4.3127		2.2805	4.2202	3.3341	4.3276
H13	2.0567	2.0567	2.4928	2.4928	1.1107	2.1740	2.8830	2.8830	3.4952	3.4952	2.2805	2.2805		3.0712	2.5211	2.5211
H14	2.6607	2.6607	3.5172	3.5172	2.1458	1.0930	3.3165	3.3165	4.2551	4.2551	4.2202	4.2202	3.0712		1.7811	1.7811
H15	3.3636	2.7234	4.0457	2.8804	2.1735	1.0941	3.8468	2.3213	5.0364	3.8266	4.3276	3.3341	2.5211	1.7811		1.7650
H16	2.7234	3.3636	2.8804	4.0457	2.1735	1.0941	2.3213	3.8468	3.8266	5.0364	3.3341	4.3276	2.5211	1.7811	1.7650

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H7	112.893	O1	C3	H9	106.962
O1	C3	H11	111.767	O1	C5	O2	104.196
O1	C5	C6	111.628	O1	C5	H13	109.542
O2	C4	H8	112.893	O2	C4	H10	106.962
O2	C4	H12	111.767	O2	C5	C6	111.628
O2	C5	H13	109.542	C3	O1	C5	114.351
C4	O2	C5	114.351	C5	C6	H14	108.969
C5	C6	H15	111.097	C5	C6	H16	111.097
C6	C5	H13	110.141	H7	C3	H9	108.239
H7	C3	H11	108.174	H8	C4	H10	108.239
H8	C4	H12	108.174	H9	C3	H11	108.675
H10	C4	H12	108.675	H14	C6	H15	109.049
H14	C6	H16	109.049	H15	C6	H16	107.532

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

using model chemistry: B3PW91/6-31G(2df,p)

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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Number	Element	Mulliken
1	O	-0.252
2	O	-0.252
3	C	-0.287
4	C	-0.287
5	C	0.239
6	C	-0.477
7	H	0.125
8	H	0.125
9	H	0.155
10	H	0.155
11	H	0.125
12	H	0.125
13	H	0.067
14	H	0.161
15	H	0.139
16	H	0.139

	x	y	z
x	7.527	-0.111	0.000
y	-0.111	6.844	0.000
z	0.000	0.000	9.631

<r²>	198.206
(<r²>)^1/2	14.079

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

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

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