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	hartrees
Energy at 0K	-60.463014
Energy at 298.15K	-60.474392
Nuclear repulsion energy	142.538544

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3114	3034	0.00
2	A_g	2966	2891	0.00
3	A_g	2944	2869	0.00
4	A_g	1530	1491	0.00
5	A_g	1511	1473	0.00
6	A_g	1479	1441	0.00
7	A_g	1437	1400	0.00
8	A_g	1207	1176	0.00
9	A_g	1121	1093	0.00
10	A_g	1063	1036	0.00
11	A_g	952	928	0.00
12	A_g	374	364	0.00
13	A_g	309	301	0.00
14	A_u	3040	2962	151.72
15	A_u	3018	2941	161.04
16	A_u	1496	1458	16.35
17	A_u	1209	1178	13.04
18	A_u	1146	1117	1.90
19	A_u	842	821	0.16
20	A_u	214	209	12.44
21	A_u	85	82	15.46
22	A_u	65	63	3.82
23	B_g	3018	2941	0.00
24	B_g	3009	2932	0.00
25	B_g	1496	1458	0.00
26	B_g	1289	1256	0.00
27	B_g	1161	1131	0.00
28	B_g	1129	1100	0.00
29	B_g	201	196	0.00
30	B_g	111	108	0.00
31	B_u	3114	3034	78.39
32	B_u	2969	2893	132.58
33	B_u	2943	2868	144.10
34	B_u	1542	1503	4.74
35	B_u	1511	1473	25.02
36	B_u	1473	1436	2.21
37	B_u	1366	1331	17.89
38	B_u	1186	1155	46.54
39	B_u	1106	1078	288.10
40	B_u	889	867	48.85
41	B_u	476	464	5.38
42	B_u	136	133	6.75

Atom	x (Å)	y (Å)	z (Å)
O1	1.402	1.187	0.000
O2	-1.402	-1.187	0.000
C3	-1.574	-2.636	0.000
C4	1.574	2.636	0.000
C5	0.000	0.767	0.000
C6	0.000	-0.767	0.000
H7	2.651	2.820	0.000
H8	-2.651	-2.820	0.000
H9	-1.123	-3.091	0.898
H10	-1.123	-3.091	-0.898
H11	1.123	3.091	0.898
H12	1.123	3.091	-0.898
H13	-0.518	1.146	0.896
H14	-0.518	1.146	-0.896
H15	0.518	-1.146	0.896
H16	0.518	-1.146	-0.896

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		3.6744	4.8446	1.4586	1.4637	2.4051	2.0560	5.7000	5.0482	5.0482	2.1228	2.1228	2.1194	2.1194	2.6508	2.6508
O2	3.6744		1.4586	4.8446	2.4051	1.4637	5.7000	2.0560	2.1228	2.1228	5.0482	5.0482	2.6508	2.6508	2.1194	2.1194
C3	4.8446	1.4586		6.1396	3.7489	2.4431	6.9006	1.0934	1.1027	1.1027	6.3930	6.3930	4.0270	4.0270	2.7200	2.7200
C4	1.4586	4.8446	6.1396		2.4431	3.7489	1.0934	6.9006	6.3930	6.3930	1.1027	1.1027	2.7200	2.7200	4.0270	4.0270
C5	1.4637	2.4051	3.7489	2.4431		1.5337	3.3535	4.4606	4.1168	4.1168	2.7327	2.7327	1.1021	1.1021	2.1748	2.1748
C6	2.4051	1.4637	2.4431	3.7489	1.5337		4.4606	3.3535	2.7327	2.7327	4.1168	4.1168	2.1748	2.1748	1.1021	1.1021
H7	2.0560	5.7000	6.9006	1.0934	3.3535	4.4606		7.7417	7.0705	7.0705	1.7928	1.7928	3.6950	3.6950	4.5915	4.5915
H8	5.7000	2.0560	1.0934	6.9006	4.4606	3.3535	7.7417		1.7928	1.7928	7.0705	7.0705	4.5915	4.5915	3.6950	3.6950
H9	5.0482	2.1228	1.1027	6.3930	4.1168	2.7327	7.0705	1.7928		1.7963	6.5766	6.8175	4.2793	4.6401	2.5450	3.1136
H10	5.0482	2.1228	1.1027	6.3930	4.1168	2.7327	7.0705	1.7928	1.7963		6.8175	6.5766	4.6401	4.2793	3.1136	2.5450
H11	2.1228	5.0482	6.3930	1.1027	2.7327	4.1168	1.7928	7.0705	6.5766	6.8175		1.7963	2.5450	3.1136	4.2793	4.6401
H12	2.1228	5.0482	6.3930	1.1027	2.7327	4.1168	1.7928	7.0705	6.8175	6.5766	1.7963		3.1136	2.5450	4.6401	4.2793
H13	2.1194	2.6508	4.0270	2.7200	1.1021	2.1748	3.6950	4.5915	4.2793	4.6401	2.5450	3.1136		1.7913	2.5154	3.0881
H14	2.1194	2.6508	4.0270	2.7200	1.1021	2.1748	3.6950	4.5915	4.6401	4.2793	3.1136	2.5450	1.7913		3.0881	2.5154
H15	2.6508	2.1194	2.7200	4.0270	2.1748	1.1021	4.5915	3.6950	2.5450	3.1136	4.2793	4.6401	2.5154	3.0881		1.7913
H16	2.6508	2.1194	2.7200	4.0270	2.1748	1.1021	4.5915	3.6950	3.1136	2.5450	4.6401	4.2793	3.0881	2.5154	1.7913

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H7	106.468	O1	C4	H11	111.188
O1	C4	H12	111.188	O1	C5	C6	106.696
O1	C5	H13	110.598	O1	C5	H14	110.598
O2	C3	H8	106.468	O2	C3	H9	111.188
O2	C3	H10	111.188	O2	C6	C5	106.696
O2	C6	H15	110.598	O2	C6	H16	110.598
C3	O2	C6	113.451	C4	O1	C5	113.451
C5	C6	H15	110.113	C5	C6	H16	110.113
C6	C5	H13	110.113	C6	C5	H14	110.113
H7	C4	H11	109.441	H7	C4	H12	109.441
H8	C3	H9	109.441	H8	C3	H10	109.441
H9	C3	H10	109.067	H11	C4	H12	109.067
H13	C5	H14	108.715	H15	C6	H16	108.715

All results from a given calculation for C₄H₁₀O₂ (Ethane, 1,2-dimethoxy-)

using model chemistry: B3LYP/CEP-121G

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	-0.281
2	O	-0.281
3	C	-0.297
4	C	-0.297
5	C	-0.126
6	C	-0.126
7	H	0.170
8	H	0.170
9	H	0.136
10	H	0.136
11	H	0.136
12	H	0.136
13	H	0.130
14	H	0.130
15	H	0.130
16	H	0.130

	x	y	z
x	8.484	1.475	0.000
y	1.475	9.762	0.000
z	0.000	0.000	7.253

<r²>	229.312
(<r²>)^1/2	15.143

All results from a given calculation for C4H10O2 (Ethane, 1,2-dimethoxy-)

using model chemistry: B3LYP/CEP-121G

States and conformations

All results from a given calculation for C₄H₁₀O₂ (Ethane, 1,2-dimethoxy-)