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	hartrees
Energy at 0K	-308.520250
Energy at 298.15K
HF Energy	-308.223820
Nuclear repulsion energy	266.329907

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3186	3023	24.56
2	A'	3183	3019	22.50
3	A'	3095	2936	64.92
4	A'	3087	2929	55.10
5	A'	3036	2880	56.31
6	A'	2954	2802	64.27
7	A'	1562	1482	1.69
8	A'	1554	1474	3.07
9	A'	1535	1457	10.24
10	A'	1520	1442	1.97
11	A'	1454	1379	46.30
12	A'	1415	1342	18.16
13	A'	1284	1218	21.19
14	A'	1207	1145	12.90
15	A'	1185	1124	29.00
16	A'	1158	1099	3.31
17	A'	1091	1035	49.23
18	A'	864	819	7.93
19	A'	541	513	7.67
20	A'	449	426	11.45
21	A'	258	245	2.91
22	A'	189	179	1.91
23	A'	66	63	4.36
24	A"	3183	3019	22.47
25	A"	3163	3001	35.46
26	A"	3089	2930	14.02
27	A"	3034	2878	57.46
28	A"	1563	1483	10.11
29	A"	1542	1463	0.13
30	A"	1536	1457	2.67
31	A"	1522	1444	0.02
32	A"	1430	1357	74.15
33	A"	1238	1175	124.99
34	A"	1203	1142	4.71
35	A"	1184	1123	258.62
36	A"	1103	1046	52.81
37	A"	932	884	7.50
38	A"	475	451	2.05
39	A"	354	336	1.20
40	A"	248	235	0.04
41	A"	214	203	0.03
42	A"	53	51	0.09

Atom	x (Å)	y (Å)	z (Å)
O1	-0.485	-0.466	1.113
O2	-0.485	-0.466	-1.113
C3	-0.485	0.331	2.274
C4	-0.485	0.331	-2.274
C5	0.134	0.120	0.000
C6	1.635	-0.157	0.000
H7	0.526	0.524	2.658
H8	0.526	0.524	-2.658
H9	-1.042	-0.222	3.032
H10	-1.042	-0.222	-3.032
H11	-0.981	1.298	2.106
H12	-0.981	1.298	-2.106
H13	-0.051	1.211	0.000
H14	1.787	-1.238	0.000
H15	2.115	0.271	-0.885
H16	2.115	0.271	0.885

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.2258	1.4085	3.4796	1.4022	2.4147	2.0956	4.0280	2.0134	4.1896	2.0843	3.7039	2.0596	2.6456	3.3612	2.7126
O2	2.2258		3.4796	1.4085	1.4022	2.4147	4.0280	2.0956	4.1896	2.0134	3.7039	2.0843	2.0596	2.6456	2.7126	3.3612
C3	1.4085	3.4796		4.5483	2.3666	3.1474	1.0990	5.0388	1.0907	5.3641	1.0998	4.5129	2.4771	3.5774	4.0922	2.9490
C4	3.4796	1.4085	4.5483		2.3666	3.1474	5.0388	1.0990	5.3641	1.0907	4.5129	1.0998	2.4771	3.5774	2.9490	4.0922
C5	1.4022	1.4022	2.3666	2.3666		1.5259	2.7172	2.7172	3.2703	3.2703	2.6586	2.6586	1.1075	2.1390	2.1747	2.1747
C6	2.4147	2.4147	3.1474	3.1474	1.5259		2.9597	2.9597	4.0453	4.0453	3.6602	3.6602	2.1717	1.0918	1.0939	1.0939
H7	2.0956	4.0280	1.0990	5.0388	2.7172	2.9597		5.3165	1.7759	5.9495	1.7823	5.0566	2.8058	3.4295	3.8915	2.3946
H8	4.0280	2.0956	5.0388	1.0990	2.7172	2.9597	5.3165		5.9495	1.7759	5.0566	1.7823	2.8058	3.4295	2.3946	3.8915
H9	2.0134	4.1896	1.0907	5.3641	3.2703	4.0453	1.7759	5.9495		6.0647	1.7808	5.3586	3.4972	4.2698	5.0551	3.8496
H10	4.1896	2.0134	5.3641	1.0907	3.2703	4.0453	5.9495	1.7759	6.0647		5.3586	1.7808	3.4972	4.2698	3.8496	5.0551
H11	2.0843	3.7039	1.0998	4.5129	2.6586	3.6602	1.7823	5.0566	1.7808	5.3586		4.2119	2.3038	4.3048	4.4259	3.4834
H12	3.7039	2.0843	4.5129	1.0998	2.6586	3.6602	5.0566	1.7823	5.3586	1.7808	4.2119		2.3038	4.3048	3.4834	4.4259
H13	2.0596	2.0596	2.4771	2.4771	1.1075	2.1717	2.8058	2.8058	3.4972	3.4972	2.3038	2.3038		3.0628	2.5222	2.5222
H14	2.6456	2.6456	3.5774	3.5774	2.1390	1.0918	3.4295	3.4295	4.2698	4.2698	4.3048	4.3048	3.0628		1.7797	1.7797
H15	3.3612	2.7126	4.0922	2.9490	2.1747	1.0939	3.8915	2.3946	5.0551	3.8496	4.4259	3.4834	2.5222	1.7797		1.7699
H16	2.7126	3.3612	2.9490	4.0922	2.1747	1.0939	2.3946	3.8915	3.8496	5.0551	3.4834	4.4259	2.5222	1.7797	1.7699

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H7	112.804	O1	C3	H9	106.648
O1	C3	H11	111.809	O1	C5	O2	105.064
O1	C5	C6	111.038	O1	C5	H13	109.744
O2	C4	H8	112.804	O2	C4	H10	106.648
O2	C4	H12	111.809	O2	C5	C6	111.038
O2	C5	H13	109.744	C3	O1	C5	114.703
C4	O2	C5	114.703	C5	C6	H14	108.456
C5	C6	H15	111.146	C5	C6	H16	111.146
C6	C5	H13	110.100	H7	C3	H9	108.390
H7	C3	H11	108.295	H8	C4	H10	108.390
H8	C4	H12	108.295	H9	C3	H11	108.771
H10	C4	H12	108.771	H14	C6	H15	109.027
H14	C6	H16	109.027	H15	C6	H16	107.996

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

using model chemistry: B2PLYP=FULLultrafine/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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All results from a given calculation for C4H10O2 (1,1-Dimethoxyethane)

using model chemistry: B2PLYP=FULLultrafine/6-31G*

States and conformations

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