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	hartrees
Energy at 0K	-308.882193
Energy at 298.15K	-308.893960
HF Energy	-308.882193
Nuclear repulsion energy	267.763999

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3154	3016	19.10
2	A'	3147	3008	24.13
3	A'	3067	2932	20.33
4	A'	3051	2917	85.99
5	A'	2999	2867	59.80
6	A'	2908	2780	70.78
7	A'	1527	1459	5.34
8	A'	1511	1445	4.54
9	A'	1496	1431	15.50
10	A'	1479	1414	2.55
11	A'	1411	1349	58.50
12	A'	1379	1318	5.33
13	A'	1279	1223	25.16
14	A'	1200	1147	23.85
15	A'	1189	1137	10.11
16	A'	1134	1084	9.74
17	A'	1091	1043	50.32
18	A'	851	813	6.20
19	A'	540	516	6.27
20	A'	452	432	9.98
21	A'	256	245	2.82
22	A'	194	185	1.21
23	A'	88	84	4.61
24	A"	3147	3008	15.04
25	A"	3142	3004	36.48
26	A"	3050	2916	16.23
27	A"	2997	2865	62.14
28	A"	1528	1461	7.99
29	A"	1499	1433	0.20
30	A"	1490	1425	10.85
31	A"	1480	1415	0.16
32	A"	1395	1333	56.66
33	A"	1231	1177	231.78
34	A"	1194	1141	8.47
35	A"	1184	1132	191.72
36	A"	1100	1051	24.27
37	A"	933	892	6.34
38	A"	480	459	2.08
39	A"	357	341	0.95
40	A"	234	224	0.00
41	A"	205	196	0.01
42	A"	87	83	0.12

Atom	x (Å)	y (Å)	z (Å)
O1	-0.464	-0.512	1.109
O2	-0.464	-0.512	-1.109
C3	-0.464	0.253	2.289
C4	-0.464	0.253	-2.289
C5	0.088	0.141	0.000
C6	1.605	0.057	0.000
H7	0.549	0.460	2.649
H8	0.549	0.460	-2.649
H9	-0.989	-0.327	3.044
H10	-0.989	-0.327	-3.044
H11	-0.986	1.206	2.145
H12	-0.986	1.206	-2.145
H13	-0.242	1.195	0.000
H14	1.894	-0.993	0.000
H15	2.024	0.544	-0.880
H16	2.024	0.544	0.880

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.2184	1.4064	3.4835	1.4006	2.4157	2.0838	4.0118	2.0134	4.1906	2.0728	3.7164	2.0476	2.6506	3.3561	2.7125
O2	2.2184		3.4835	1.4064	1.4006	2.4157	4.0118	2.0838	4.1906	2.0134	3.7164	2.0728	2.0476	2.6506	2.7125	3.3561
C3	1.4064	3.4835		4.5783	2.3574	3.0920	1.0950	5.0450	1.0873	5.3906	1.0959	4.5649	2.4851	3.5153	4.0398	2.8740
C4	3.4835	1.4064	4.5783		2.3574	3.0920	5.0450	1.0950	5.3906	1.0873	4.5649	1.0959	2.4851	3.5153	2.8740	4.0398
C5	1.4006	1.4006	2.3574	2.3574		1.5195	2.7075	2.7075	3.2628	3.2628	2.6243	2.6243	1.1036	2.1332	2.1645	2.1645
C6	2.4157	2.4157	3.0920	3.0920	1.5195		2.8798	2.8798	4.0176	4.0176	3.5546	3.5546	2.1689	1.0888	1.0898	1.0898
H7	2.0838	4.0118	1.0950	5.0450	2.7075	2.8798		5.2974	1.7722	5.9494	1.7798	5.0882	2.8601	3.3072	3.8256	2.3041
H8	4.0118	2.0838	5.0450	1.0950	2.7075	2.8798	5.2974		5.9494	1.7722	5.0882	1.7798	2.8601	3.3072	2.3041	3.8256
H9	2.0134	4.1906	1.0873	5.3906	3.2628	4.0176	1.7722	5.9494		6.0887	1.7779	5.4109	3.4846	4.2453	5.0234	3.8099
H10	4.1906	2.0134	5.3906	1.0873	3.2628	4.0176	5.9494	1.7722	6.0887		5.4109	1.7779	3.4846	4.2453	3.8099	5.0234
H11	2.0728	3.7164	1.0959	4.5649	2.6243	3.5546	1.7798	5.0882	1.7779	5.4109		4.2893	2.2703	4.2112	4.3184	3.3312
H12	3.7164	2.0728	4.5649	1.0959	2.6243	3.5546	5.0882	1.7798	5.4109	1.7779	4.2893		2.2703	4.2112	3.3312	4.3184
H13	2.0476	2.0476	2.4851	2.4851	1.1036	2.1689	2.8601	2.8601	3.4846	3.4846	2.2703	2.2703		3.0574	2.5158	2.5158
H14	2.6506	2.6506	3.5153	3.5153	2.1332	1.0888	3.3072	3.3072	4.2453	4.2453	4.2112	4.2112	3.0574		1.7758	1.7758
H15	3.3561	2.7125	4.0398	2.8740	2.1645	1.0898	3.8256	2.3041	5.0234	3.8099	4.3184	3.3312	2.5158	1.7758		1.7605
H16	2.7125	3.3561	2.8740	4.0398	2.1645	1.0898	2.3041	3.8256	3.8099	5.0234	3.3312	4.3184	2.5158	1.7758	1.7605

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H7	112.228	O1	C3	H9	106.982
O1	C3	H11	111.255	O1	C5	O2	104.732
O1	C5	C6	111.567	O1	C5	H13	109.122
O2	C4	H8	112.228	O2	C4	H10	106.982
O2	C4	H12	111.255	O2	C5	C6	111.567
O2	C5	H13	109.122	C3	O1	C5	114.243
C4	O2	C5	114.243	C5	C6	H14	108.613
C5	C6	H15	111.029	C5	C6	H16	111.029
C6	C5	H13	110.544	H7	C3	H9	108.596
H7	C3	H11	108.651	H8	C4	H10	108.596
H8	C4	H12	108.651	H9	C3	H11	109.046
H10	C4	H12	109.046	H14	C6	H15	109.195
H14	C6	H16	109.195	H15	C6	H16	107.747

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

using model chemistry: wB97X-D/cc-pVTZ

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	-0.260
2	O	-0.260
3	C	-0.078
4	C	-0.078
5	C	0.258
6	C	-0.287
7	H	0.057
8	H	0.057
9	H	0.099
10	H	0.099
11	H	0.051
12	H	0.051
13	H	0.016
14	H	0.104
15	H	0.086
16	H	0.086

	x	y	z	Total
	0.845	2.165	0.000	2.324
CHELPG
AIM
ESP

<r²>	198.040
(<r²>)^1/2	14.073

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

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

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