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	hartrees
Energy at 0K	-308.765938
Energy at 298.15K	-308.777537
Nuclear repulsion energy	253.473962

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3126	3006	0.00
2	A_g	2979	2864	0.00
3	A_g	2966	2852	0.00
4	A_g	1525	1466	0.00
5	A_g	1499	1441	0.00
6	A_g	1480	1423	0.00
7	A_g	1439	1384	0.00
8	A_g	1246	1198	0.00
9	A_g	1190	1144	0.00
10	A_g	1087	1045	0.00
11	A_g	1039	998	0.00
12	A_g	399	384	0.00
13	A_g	330	317	0.00
14	A_u	3027	2910	6.25
15	A_u	3022	2906	221.74
16	A_u	1479	1422	11.91
17	A_u	1234	1186	13.55
18	A_u	1179	1133	2.16
19	A_u	831	799	0.11
20	A_u	237	228	6.58
21	A_u	96	92	6.88
22	A_u	68	66	2.05
23	B_g	3025	2908	0.00
24	B_g	2996	2881	0.00
25	B_g	1479	1422	0.00
26	B_g	1288	1238	0.00
27	B_g	1196	1150	0.00
28	B_g	1154	1110	0.00
29	B_g	223	214	0.00
30	B_g	124	119	0.00
31	B_u	3126	3006	58.08
32	B_u	2981	2866	136.45
33	B_u	2969	2854	77.55
34	B_u	1532	1472	2.71
35	B_u	1501	1443	22.73
36	B_u	1473	1416	2.49
37	B_u	1357	1305	31.00
38	B_u	1229	1182	227.74
39	B_u	1185	1139	158.88
40	B_u	992	953	55.82
41	B_u	502	483	3.38
42	B_u	140	134	3.33

Atom	x (Å)	y (Å)	z (Å)
O1	1.336	1.188	0.000
O2	-1.336	-1.188	0.000
C3	-1.451	-2.584	0.000
C4	1.451	2.584	0.000
C5	0.000	0.759	0.000
C6	0.000	-0.759	0.000
H7	2.517	2.827	0.000
H8	-2.517	-2.827	0.000
H9	-0.985	-3.034	0.891
H10	-0.985	-3.034	-0.891
H11	0.985	3.034	0.891
H12	0.985	3.034	-0.891
H13	-0.540	1.128	0.888
H14	-0.540	1.128	-0.888
H15	0.540	-1.128	0.888
H16	0.540	-1.128	-0.888

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		3.5748	4.6894	1.4011	1.4030	2.3605	2.0203	5.5639	4.8991	4.8991	2.0802	2.0802	2.0760	2.0760	2.6050	2.6050
O2	3.5748		1.4011	4.6894	2.3605	1.4030	5.5639	2.0203	2.0802	2.0802	4.8991	4.8991	2.6050	2.6050	2.0760	2.0760
C3	4.6894	1.4011		5.9269	3.6439	2.3317	6.7096	1.0931	1.1021	1.1021	6.1877	6.1877	3.9243	3.9243	2.6210	2.6210
C4	1.4011	4.6894	5.9269		2.3317	3.6439	1.0931	6.7096	6.1877	6.1877	1.1021	1.1021	2.6210	2.6210	3.9243	3.9243
C5	1.4030	2.3605	3.6439	2.3317		1.5172	3.2575	4.3806	4.0185	4.0185	2.6347	2.6347	1.1029	1.1029	2.1542	2.1542
C6	2.3605	1.4030	2.3317	3.6439	1.5172		4.3806	3.2575	2.6347	2.6347	4.0185	4.0185	2.1542	2.1542	1.1029	1.1029
H7	2.0203	5.5639	6.7096	1.0931	3.2575	4.3806		7.5696	6.8850	6.8850	1.7845	1.7845	3.6076	3.6076	4.5101	4.5101
H8	5.5639	2.0203	1.0931	6.7096	4.3806	3.2575	7.5696		1.7845	1.7845	6.8850	6.8850	4.5101	4.5101	3.6076	3.6076
H9	4.8991	2.0802	1.1021	6.1877	4.0185	2.6347	6.8850	1.7845		1.7829	6.3795	6.6240	4.1861	4.5486	2.4403	3.0201
H10	4.8991	2.0802	1.1021	6.1877	4.0185	2.6347	6.8850	1.7845	1.7829		6.6240	6.3795	4.5486	4.1861	3.0201	2.4403
H11	2.0802	4.8991	6.1877	1.1021	2.6347	4.0185	1.7845	6.8850	6.3795	6.6240		1.7829	2.4403	3.0201	4.1861	4.5486
H12	2.0802	4.8991	6.1877	1.1021	2.6347	4.0185	1.7845	6.8850	6.6240	6.3795	1.7829		3.0201	2.4403	4.5486	4.1861
H13	2.0760	2.6050	3.9243	2.6210	1.1029	2.1542	3.6076	4.5101	4.1861	4.5486	2.4403	3.0201		1.7757	2.5019	3.0680
H14	2.0760	2.6050	3.9243	2.6210	1.1029	2.1542	3.6076	4.5101	4.5486	4.1861	3.0201	2.4403	1.7757		3.0680	2.5019
H15	2.6050	2.0760	2.6210	3.9243	2.1542	1.1029	4.5101	3.6076	2.4403	3.0201	4.1861	4.5486	2.5019	3.0680		1.7757
H16	2.6050	2.0760	2.6210	3.9243	2.1542	1.1029	4.5101	3.6076	3.0201	2.4403	4.5486	4.1861	3.0680	2.5019	1.7757

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H7	107.552	O1	C4	H11	111.852
O1	C4	H12	111.852	O1	C5	C6	107.800
O1	C5	H13	111.313	O1	C5	H14	111.313
O2	C3	H8	107.552	O2	C3	H9	111.852
O2	C3	H10	111.852	O2	C6	C5	107.800
O2	C6	H15	111.313	O2	C6	H16	111.313
C3	O2	C6	112.512	C4	O1	C5	112.512
C5	C6	H15	109.594	C5	C6	H16	109.594
C6	C5	H13	109.594	C6	C5	H14	109.594
H7	C4	H11	108.765	H7	C4	H12	108.765
H8	C3	H9	108.765	H8	C3	H10	108.765
H9	C3	H10	107.978	H11	C4	H12	107.978
H13	C5	H14	107.220	H15	C6	H16	107.220

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

using model chemistry: B3PW91/6-31G(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	-0.256
2	O	-0.256
3	C	-0.275
4	C	-0.275
5	C	-0.101
6	C	-0.101
7	H	0.149
8	H	0.149
9	H	0.124
10	H	0.124
11	H	0.124
12	H	0.124
13	H	0.118
14	H	0.118
15	H	0.118
16	H	0.118

	x	y	z
x	7.920	1.402	0.000
y	1.402	9.395	0.000
z	0.000	0.000	7.026

<r²>	267.842
(<r²>)^1/2	16.366

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

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

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