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	hartrees
Energy at 0K	-308.754767
Energy at 298.15K	-308.766357
Nuclear repulsion energy	252.883555

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3137	3027	0.00
2	A_g	2979	2875	0.00
3	A_g	2967	2863	0.00
4	A_g	1503	1451	0.00
5	A_g	1478	1427	0.00
6	A_g	1461	1410	0.00
7	A_g	1428	1378	0.00
8	A_g	1236	1192	0.00
9	A_g	1192	1150	0.00
10	A_g	1090	1052	0.00
11	A_g	1036	1000	0.00
12	A_g	399	385	0.00
13	A_g	328	316	0.00
14	A_u	3031	2925	9.68
15	A_u	3026	2920	244.56
16	A_u	1452	1401	13.13
17	A_u	1216	1173	12.45
18	A_u	1160	1120	2.83
19	A_u	835	806	0.17
20	A_u	237	228	7.73
21	A_u	96	93	7.34
22	A_u	69	67	2.10
23	B_g	3029	2923	0.00
24	B_g	3001	2896	0.00
25	B_g	1452	1401	0.00
26	B_g	1275	1231	0.00
27	B_g	1179	1138	0.00
28	B_g	1139	1099	0.00
29	B_g	221	213	0.00
30	B_g	122	118	0.00
31	B_u	3137	3027	54.43
32	B_u	2979	2875	150.08
33	B_u	2967	2863	83.03
34	B_u	1509	1456	2.24
35	B_u	1476	1424	29.00
36	B_u	1452	1401	2.82
37	B_u	1338	1291	32.95
38	B_u	1223	1180	297.96
39	B_u	1178	1137	106.91
40	B_u	991	956	63.29
41	B_u	500	483	3.81
42	B_u	140	136	3.37

Atom	x (Å)	y (Å)	z (Å)
O1	1.340	1.187	0.000
O2	-1.340	-1.187	0.000
C3	-1.457	-2.586	0.000
C4	1.457	2.586	0.000
C5	0.000	0.757	0.000
C6	0.000	-0.757	0.000
H7	2.529	2.827	0.000
H8	-2.529	-2.827	0.000
H9	-0.990	-3.041	0.897
H10	-0.990	-3.041	-0.897
H11	0.990	3.041	0.897
H12	0.990	3.041	-0.897
H13	-0.544	1.129	0.893
H14	-0.544	1.129	-0.893
H15	0.544	-1.129	0.893
H16	0.544	-1.129	-0.893

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		3.5791	4.6958	1.4039	1.4066	2.3609	2.0263	5.5747	4.9092	4.9092	2.0890	2.0890	2.0848	2.0848	2.6066	2.6066
O2	3.5791		1.4039	4.6958	2.3609	1.4066	5.5747	2.0263	2.0890	2.0890	4.9092	4.9092	2.6066	2.6066	2.0848	2.0848
C3	4.6958	1.4039		5.9358	3.6468	2.3377	6.7221	1.0992	1.1088	1.1088	6.2005	6.2005	3.9284	3.9284	2.6306	2.6306
C4	1.4039	4.6958	5.9358		2.3377	3.6468	1.0992	6.7221	6.2005	6.2005	1.1088	1.1088	2.6306	2.6306	3.9284	3.9284
C5	1.4066	2.3609	3.6468	2.3377		1.5149	3.2680	4.3869	4.0261	4.0261	2.6451	2.6451	1.1094	1.1094	2.1569	2.1569
C6	2.3609	1.4066	2.3377	3.6468	1.5149		4.3869	3.2680	2.6451	2.6451	4.0261	4.0261	2.1569	2.1569	1.1094	1.1094
H7	2.0263	5.5747	6.7221	1.0992	3.2680	4.3869		7.5865	6.9005	6.9005	1.7945	1.7945	3.6224	3.6224	4.5157	4.5157
H8	5.5747	2.0263	1.0992	6.7221	4.3869	3.2680	7.5865		1.7945	1.7945	6.9005	6.9005	4.5157	4.5157	3.6224	3.6224
H9	4.9092	2.0890	1.1088	6.2005	4.0261	2.6451	6.9005	1.7945		1.7933	6.3954	6.6421	4.1937	4.5596	2.4504	3.0343
H10	4.9092	2.0890	1.1088	6.2005	4.0261	2.6451	6.9005	1.7945	1.7933		6.6421	6.3954	4.5596	4.1937	3.0343	2.4504
H11	2.0890	4.9092	6.2005	1.1088	2.6451	4.0261	1.7945	6.9005	6.3954	6.6421		1.7933	2.4504	3.0343	4.1937	4.5596
H12	2.0890	4.9092	6.2005	1.1088	2.6451	4.0261	1.7945	6.9005	6.6421	6.3954	1.7933		3.0343	2.4504	4.5596	4.1937
H13	2.0848	2.6066	3.9284	2.6306	1.1094	2.1569	3.6224	4.5157	4.1937	4.5596	2.4504	3.0343		1.7857	2.5065	3.0775
H14	2.0848	2.6066	3.9284	2.6306	1.1094	2.1569	3.6224	4.5157	4.5596	4.1937	3.0343	2.4504	1.7857		3.0775	2.5065
H15	2.6066	2.0848	2.6306	3.9284	2.1569	1.1094	4.5157	3.6224	2.4504	3.0343	4.1937	4.5596	2.5065	3.0775		1.7857
H16	2.6066	2.0848	2.6306	3.9284	2.1569	1.1094	4.5157	3.6224	3.0343	2.4504	4.5596	4.1937	3.0775	2.5065	1.7857

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H7	107.479	O1	C4	H11	111.945
O1	C4	H12	111.945	O1	C5	C6	107.767
O1	C5	H13	111.363	O1	C5	H14	111.363
O2	C3	H8	107.479	O2	C3	H9	111.945
O2	C3	H10	111.945	O2	C6	C5	107.767
O2	C6	H15	111.363	O2	C6	H16	111.363
C3	O2	C6	112.566	C4	O1	C5	112.566
C5	C6	H15	109.580	C5	C6	H16	109.580
C6	C5	H13	109.580	C6	C5	H14	109.580
H7	C4	H11	108.726	H7	C4	H12	108.726
H8	C3	H9	108.726	H8	C3	H10	108.726
H9	C3	H10	107.936	H11	C4	H12	107.936
H13	C5	H14	107.180	H15	C6	H16	107.180

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

using model chemistry: B3PW91/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	-0.333
2	O	-0.333
3	C	0.074
4	C	0.074
5	C	0.098
6	C	0.098
7	H	0.049
8	H	0.049
9	H	0.026
10	H	0.026
11	H	0.026
12	H	0.026
13	H	0.030
14	H	0.030
15	H	0.030
16	H	0.030

<r²>	268.831
(<r²>)^1/2	16.396

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

using model chemistry: B3PW91/cc-pVDZ

States and conformations

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