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	hartrees
Energy at 0K	-308.478535
Energy at 298.15K	-308.490032
Nuclear repulsion energy	251.334314

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3057	3039	0.00
2	A_g	2892	2875	0.00
3	A_g	2878	2861	0.00
4	A_g	1454	1446	0.00
5	A_g	1428	1420	0.00
6	A_g	1410	1402	0.00
7	A_g	1376	1368	0.00
8	A_g	1189	1182	0.00
9	A_g	1145	1138	0.00
10	A_g	1056	1049	0.00
11	A_g	998	992	0.00
12	A_g	389	386	0.00
13	A_g	323	321	0.00
14	A_u	2938	2920	12.88
15	A_u	2930	2913	256.69
16	A_u	1399	1391	12.12
17	A_u	1171	1164	10.80
18	A_u	1120	1114	2.26
19	A_u	810	806	0.13
20	A_u	244	243	6.07
21	A_u	92	91	6.78
22	A_u	67	66	1.65
23	B_g	2936	2919	0.00
24	B_g	2906	2889	0.00
25	B_g	1399	1391	0.00
26	B_g	1230	1223	0.00
27	B_g	1140	1133	0.00
28	B_g	1100	1094	0.00
29	B_g	232	230	0.00
30	B_g	126	125	0.00
31	B_u	3057	3039	51.99
32	B_u	2892	2875	163.23
33	B_u	2879	2862	86.35
34	B_u	1460	1452	1.13
35	B_u	1426	1418	28.44
36	B_u	1402	1394	3.16
37	B_u	1292	1284	28.42
38	B_u	1169	1163	245.04
39	B_u	1138	1132	135.37
40	B_u	954	948	58.93
41	B_u	489	487	3.51
42	B_u	140	139	2.79

Atom	x (Å)	y (Å)	z (Å)
O1	0.433	1.747	0.000
O2	-0.433	-1.747	0.000
C3	0.283	-2.967	0.000
C4	-0.283	2.967	0.000
C5	-0.433	0.626	0.000
C6	0.433	-0.626	0.000
H7	0.461	3.786	0.000
H8	-0.461	-3.786	0.000
H9	0.934	-3.071	0.903
H10	0.934	-3.071	-0.903
H11	-0.934	3.071	0.903
H12	-0.934	3.071	-0.903
H13	-1.098	0.623	0.900
H14	-1.098	0.623	-0.900
H15	1.098	-0.623	0.900
H16	1.098	-0.623	-0.900

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		3.6006	4.7165	1.4141	1.4172	2.3733	2.0391	5.6055	4.9279	4.9279	2.1063	2.1063	2.1023	2.1023	2.6209	2.6209
O2	3.6006		1.4141	4.7165	2.3733	1.4172	5.6055	2.0391	2.1063	2.1063	4.9279	4.9279	2.6209	2.6209	2.1023	2.1023
C3	4.7165	1.4141		5.9604	3.6633	2.3456	6.7554	1.1071	1.1179	1.1179	6.2251	6.2251	3.9499	3.9499	2.6398	2.6398
C4	1.4141	4.7165	5.9604		2.3456	3.6633	1.1071	6.7554	6.2251	6.2251	1.1179	1.1179	2.6398	2.6398	3.9499	3.9499
C5	1.4172	2.3733	3.6633	2.3456		1.5223	3.2845	4.4123	4.0438	4.0438	2.6542	2.6542	1.1188	1.1188	2.1711	2.1711
C6	2.3733	1.4172	2.3456	3.6633	1.5223		4.4123	3.2845	2.6542	2.6542	4.0438	4.0438	2.1711	2.1711	1.1188	1.1188
H7	2.0391	5.6055	6.7554	1.1071	3.2845	4.4123		7.6286	6.9327	6.9327	1.8093	1.8093	3.6400	3.6400	4.5447	4.5447
H8	5.6055	2.0391	1.1071	6.7554	4.4123	3.2845	7.6286		1.8093	1.8093	6.9327	6.9327	4.5447	4.5447	3.6400	3.6400
H9	4.9279	2.1063	1.1179	6.2251	4.0438	2.6542	6.9327	1.8093		1.8057	6.4200	6.6690	4.2160	4.5851	2.4539	3.0447
H10	4.9279	2.1063	1.1179	6.2251	4.0438	2.6542	6.9327	1.8093	1.8057		6.6690	6.4200	4.5851	4.2160	3.0447	2.4539
H11	2.1063	4.9279	6.2251	1.1179	2.6542	4.0438	1.8093	6.9327	6.4200	6.6690		1.8057	2.4539	3.0447	4.2160	4.5851
H12	2.1063	4.9279	6.2251	1.1179	2.6542	4.0438	1.8093	6.9327	6.6690	6.4200	1.8057		3.0447	2.4539	4.5851	4.2160
H13	2.1023	2.6209	3.9499	2.6398	1.1188	2.1711	3.6400	4.5447	4.2160	4.5851	2.4539	3.0447		1.7992	2.5251	3.1005
H14	2.1023	2.6209	3.9499	2.6398	1.1188	2.1711	3.6400	4.5447	4.5851	4.2160	3.0447	2.4539	1.7992		3.1005	2.5251
H15	2.6209	2.1023	2.6398	3.9499	2.1711	1.1188	4.5447	3.6400	2.4539	3.0447	4.2160	4.5851	2.5251	3.1005		1.7992
H16	2.6209	2.1023	2.6398	3.9499	2.1711	1.1188	4.5447	3.6400	3.0447	2.4539	4.5851	4.2160	3.1005	2.5251	1.7992

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H7	107.325	O1	C4	H11	112.050
O1	C4	H12	112.050	O1	C5	C6	107.629
O1	C5	H13	111.452	O1	C5	H14	111.452
O2	C3	H8	107.325	O2	C3	H9	112.050
O2	C3	H10	112.050	O2	C6	C5	107.629
O2	C6	H15	111.452	O2	C6	H16	111.452
C3	O2	C6	111.883	C4	O1	C5	111.883
C5	C6	H15	109.629	C5	C6	H16	109.629
C6	C5	H13	109.629	C6	C5	H14	109.629
H7	C4	H11	108.808	H7	C4	H12	108.808
H8	C3	H9	108.808	H8	C3	H10	108.808
H9	C3	H10	107.721	H11	C4	H12	107.721
H13	C5	H14	107.044	H15	C6	H16	107.044

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

using model chemistry: PBEPBE/cc-pVDZ

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	-0.285
2	O	-0.285
3	C	0.078
4	C	0.078
5	C	0.095
6	C	0.095
7	H	0.038
8	H	0.038
9	H	0.018
10	H	0.018
11	H	0.018
12	H	0.018
13	H	0.019
14	H	0.019
15	H	0.019
16	H	0.019

	x	y	z
x	7.461	-0.333	0.000
y	-0.333	10.968	0.000
z	0.000	0.000	7.304

<r²>	271.535
(<r²>)^1/2	16.478

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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