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	hartrees
Energy at 0K	-307.015991
Energy at 298.15K	-307.027942
Nuclear repulsion energy	255.007103

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3257	2949	0.00
2	A_g	3143	2846	0.00
3	A_g	3127	2832	0.00
4	A_g	1654	1498	0.00
5	A_g	1632	1478	0.00
6	A_g	1622	1469	0.00
7	A_g	1583	1434	0.00
8	A_g	1369	1240	0.00
9	A_g	1290	1168	0.00
10	A_g	1162	1052	0.00
11	A_g	1118	1013	0.00
12	A_g	425	385	0.00
13	A_g	356	322	0.00
14	A_u	3189	2887	183.25
15	A_u	3180	2880	89.91
16	A_u	1616	1463	8.80
17	A_u	1353	1225	18.36
18	A_u	1285	1164	5.61
19	A_u	892	808	0.89
20	A_u	248	225	11.12
21	A_u	119	108	5.91
22	A_u	74	67	4.49
23	B_g	3180	2880	0.00
24	B_g	3159	2860	0.00
25	B_g	1616	1463	0.00
26	B_g	1410	1277	0.00
27	B_g	1303	1180	0.00
28	B_g	1259	1140	0.00
29	B_g	227	206	0.00
30	B_g	127	115	0.00
31	B_u	3257	2949	95.08
32	B_u	3143	2846	140.02
33	B_u	3127	2832	73.81
34	B_u	1662	1505	3.11
35	B_u	1629	1475	17.80
36	B_u	1610	1458	7.74
37	B_u	1491	1350	54.09
38	B_u	1353	1225	267.37
39	B_u	1281	1160	252.55
40	B_u	1064	963	65.63
41	B_u	541	490	4.87
42	B_u	158	143	3.83

Atom	x (Å)	y (Å)	z (Å)
O1	1.323	1.184	0.000
O2	-1.323	-1.184	0.000
C3	-1.480	-2.564	0.000
C4	1.480	2.564	0.000
C5	0.000	0.757	0.000
C6	0.000	-0.757	0.000
H7	2.542	2.777	0.000
H8	-2.542	-2.777	0.000
H9	-1.031	-3.018	0.883
H10	-1.031	-3.018	-0.883
H11	1.031	3.018	0.883
H12	1.031	3.018	-0.883
H13	-0.530	1.122	0.879
H14	-0.530	1.122	-0.879
H15	0.530	-1.122	0.879
H16	0.530	-1.122	-0.879

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		3.5516	4.6808	1.3887	1.3904	2.3495	2.0051	5.5342	4.8976	4.8976	2.0563	2.0563	2.0525	2.0525	2.5928	2.5928
O2	3.5516		1.3887	4.6808	2.3495	1.3904	5.5342	2.0051	2.0563	2.0563	4.8976	4.8976	2.5928	2.5928	2.0525	2.0525
C3	4.6808	1.3887		5.9213	3.6361	2.3358	6.6858	1.0828	1.0899	1.0899	6.1847	6.1847	3.9071	3.9071	2.6257	2.6257
C4	1.3887	4.6808	5.9213		2.3358	3.6361	1.0828	6.6858	6.1847	6.1847	1.0899	1.0899	2.6257	2.6257	3.9071	3.9071
C5	1.3904	2.3495	3.6361	2.3358		1.5142	3.2464	4.3530	4.0122	4.0122	2.6376	2.6376	1.0900	1.0900	2.1417	2.1417
C6	2.3495	1.3904	2.3358	3.6361	1.5142		4.3530	3.2464	2.6376	2.6376	4.0122	4.0122	2.1417	2.1417	1.0900	1.0900
H7	2.0051	5.5342	6.6858	1.0828	3.2464	4.3530		7.5288	6.8651	6.8651	1.7663	1.7663	3.5984	3.5984	4.4746	4.4746
H8	5.5342	2.0051	1.0828	6.6858	4.3530	3.2464	7.5288		1.7663	1.7663	6.8651	6.8651	4.4746	4.4746	3.5984	3.5984
H9	4.8976	2.0563	1.0899	6.1847	4.0122	2.6376	6.8651	1.7663		1.7669	6.3792	6.6193	4.1707	4.5280	2.4563	3.0235
H10	4.8976	2.0563	1.0899	6.1847	4.0122	2.6376	6.8651	1.7663	1.7669		6.6193	6.3792	4.5280	4.1707	3.0235	2.4563
H11	2.0563	4.8976	6.1847	1.0899	2.6376	4.0122	1.7663	6.8651	6.3792	6.6193		1.7669	2.4563	3.0235	4.1707	4.5280
H12	2.0563	4.8976	6.1847	1.0899	2.6376	4.0122	1.7663	6.8651	6.6193	6.3792	1.7669		3.0235	2.4563	4.5280	4.1707
H13	2.0525	2.5928	3.9071	2.6257	1.0900	2.1417	3.5984	4.4746	4.1707	4.5280	2.4563	3.0235		1.7589	2.4826	3.0426
H14	2.0525	2.5928	3.9071	2.6257	1.0900	2.1417	3.5984	4.4746	4.5280	4.1707	3.0235	2.4563	1.7589		3.0426	2.4826
H15	2.5928	2.0525	2.6257	3.9071	2.1417	1.0900	4.4746	3.5984	2.4563	3.0235	4.1707	4.5280	2.4826	3.0426		1.7589
H16	2.5928	2.0525	2.6257	3.9071	2.1417	1.0900	4.4746	3.5984	3.0235	2.4563	4.5280	4.1707	3.0426	2.4826	1.7589

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H7	107.809	O1	C4	H11	111.556
O1	C4	H12	111.556	O1	C5	C6	107.902
O1	C5	H13	111.105	O1	C5	H14	111.105
O2	C3	H8	107.809	O2	C3	H9	111.556
O2	C3	H10	111.556	O2	C6	C5	107.902
O2	C6	H15	111.105	O2	C6	H16	111.105
C3	O2	C6	114.386	C4	O1	C5	114.386
C5	C6	H15	109.573	C5	C6	H16	109.573
C6	C5	H13	109.573	C6	C5	H14	109.573
H7	C4	H11	108.773	H7	C4	H12	108.773
H8	C3	H9	108.773	H8	C3	H10	108.773
H9	C3	H10	108.305	H11	C4	H12	108.305
H13	C5	H14	107.574	H15	C6	H16	107.574

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

using model chemistry: HF/6-31G(2df,p)

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	-0.445
2	O	-0.445
3	C	-0.173
4	C	-0.173
5	C	0.002
6	C	0.002
7	H	0.147
8	H	0.147
9	H	0.119
10	H	0.119
11	H	0.119
12	H	0.119
13	H	0.116
14	H	0.116
15	H	0.116
16	H	0.116

	x	y	z
x	7.410	1.169	0.000
y	1.169	8.451	0.000
z	0.000	0.000	6.654

<r²>	266.525
(<r²>)^1/2	16.326

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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