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	hartrees
Energy at 0K	-308.818514
Energy at 298.15K	-308.830134
Nuclear repulsion energy	253.052404

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3156	3025	0.00
2	A_g	3007	2882	0.00
3	A_g	2997	2872	0.00
4	A_g	1505	1442	0.00
5	A_g	1482	1420	0.00
6	A_g	1466	1405	0.00
7	A_g	1431	1372	0.00
8	A_g	1240	1189	0.00
9	A_g	1192	1142	0.00
10	A_g	1095	1049	0.00
11	A_g	1038	995	0.00
12	A_g	400	383	0.00
13	A_g	334	320	0.00
14	A_u	3064	2936	11.38
15	A_u	3058	2930	197.49
16	A_u	1466	1405	16.22
17	A_u	1229	1177	11.42
18	A_u	1166	1118	2.97
19	A_u	831	797	0.09
20	A_u	231	221	7.35
21	A_u	92	88	6.81
22	A_u	70	67	3.52
23	B_g	3059	2932	0.00
24	B_g	3037	2910	0.00
25	B_g	1466	1405	0.00
26	B_g	1288	1234	0.00
27	B_g	1182	1133	0.00
28	B_g	1143	1095	0.00
29	B_g	216	207	0.00
30	B_g	126	120	0.00
31	B_u	3156	3025	52.87
32	B_u	3011	2885	130.08
33	B_u	2997	2872	106.09
34	B_u	1511	1448	6.41
35	B_u	1479	1418	20.88
36	B_u	1454	1393	0.54
37	B_u	1346	1290	20.83
38	B_u	1225	1174	241.67
39	B_u	1180	1130	150.59
40	B_u	989	947	60.64
41	B_u	507	485	3.38
42	B_u	148	142	3.61

Atom	x (Å)	y (Å)	z (Å)
O1	0.430	1.739	0.000
O2	-0.430	-1.739	0.000
C3	0.273	-2.957	0.000
C4	-0.273	2.957	0.000
C5	-0.430	0.623	0.000
C6	0.430	-0.623	0.000
H7	0.469	3.762	0.000
H8	-0.469	-3.762	0.000
H9	0.910	-3.054	0.896
H10	0.910	-3.054	-0.896
H11	-0.910	3.054	0.896
H12	-0.910	3.054	-0.896
H13	-1.080	0.629	0.892
H14	-1.080	0.629	-0.892
H15	1.080	-0.629	0.892
H16	1.080	-0.629	-0.892

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		3.5821	4.6980	1.4059	1.4083	2.3617	2.0234	5.5734	4.8996	4.8996	2.0801	2.0801	2.0753	2.0753	2.6123	2.6123
O2	3.5821		1.4059	4.6980	2.3617	1.4083	5.5734	2.0234	2.0801	2.0801	4.8996	4.8996	2.6123	2.6123	2.0753	2.0753
C3	4.6980	1.4059		5.9384	3.6478	2.3389	6.7212	1.0946	1.1033	1.1033	6.1913	6.1913	3.9346	3.9346	2.6203	2.6203
C4	1.4059	4.6980	5.9384		2.3389	3.6478	1.0946	6.7212	6.1913	6.1913	1.1033	1.1033	2.6203	2.6203	3.9346	3.9346
C5	1.4083	2.3617	3.6478	2.3389		1.5134	3.2649	4.3849	4.0148	4.0148	2.6352	2.6352	1.1039	1.1039	2.1545	2.1545
C6	2.3617	1.4083	2.3389	3.6478	1.5134		4.3849	3.2649	2.6352	2.6352	4.0148	4.0148	2.1545	2.1545	1.1039	1.1039
H7	2.0234	5.5734	6.7212	1.0946	3.2649	4.3849		7.5817	6.8888	6.8888	1.7897	1.7897	3.6069	3.6069	4.5218	4.5218
H8	5.5734	2.0234	1.0946	6.7212	4.3849	3.2649	7.5817		1.7897	1.7897	6.8888	6.8888	4.5218	4.5218	3.6069	3.6069
H9	4.8996	2.0801	1.1033	6.1913	4.0148	2.6352	6.8888	1.7897		1.7910	6.3740	6.6208	4.1864	4.5520	2.4315	3.0177
H10	4.8996	2.0801	1.1033	6.1913	4.0148	2.6352	6.8888	1.7897	1.7910		6.6208	6.3740	4.5520	4.1864	3.0177	2.4315
H11	2.0801	4.8996	6.1913	1.1033	2.6352	4.0148	1.7897	6.8888	6.3740	6.6208		1.7910	2.4315	3.0177	4.1864	4.5520
H12	2.0801	4.8996	6.1913	1.1033	2.6352	4.0148	1.7897	6.8888	6.6208	6.3740	1.7910		3.0177	2.4315	4.5520	4.1864
H13	2.0753	2.6123	3.9346	2.6203	1.1039	2.1545	3.6069	4.5218	4.1864	4.5520	2.4315	3.0177		1.7836	2.4998	3.0709
H14	2.0753	2.6123	3.9346	2.6203	1.1039	2.1545	3.6069	4.5218	4.5520	4.1864	3.0177	2.4315	1.7836		3.0709	2.4998
H15	2.6123	2.0753	2.6203	3.9346	2.1545	1.1039	4.5218	3.6069	2.4315	3.0177	4.1864	4.5520	2.4998	3.0709		1.7836
H16	2.6123	2.0753	2.6203	3.9346	2.1545	1.1039	4.5218	3.6069	3.0177	2.4315	4.5520	4.1864	3.0709	2.4998	1.7836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H7	107.379	O1	C4	H11	111.419
O1	C4	H12	111.419	O1	C5	C6	107.813
O1	C5	H13	110.815	O1	C5	H14	110.815
O2	C3	H8	107.379	O2	C3	H9	111.419
O2	C3	H10	111.419	O2	C6	C5	107.813
O2	C6	H15	110.815	O2	C6	H16	110.815
C3	O2	C6	112.429	C4	O1	C5	112.429
C5	C6	H15	109.814	C5	C6	H16	109.814
C6	C5	H13	109.814	C6	C5	H14	109.814
H7	C4	H11	109.028	H7	C4	H12	109.028
H8	C3	H9	109.028	H8	C3	H10	109.028
H9	C3	H10	108.515	H11	C4	H12	108.515
H13	C5	H14	107.774	H15	C6	H16	107.774

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

using model chemistry: mPW1PW91/aug-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	-0.559
2	O	-0.559
3	C	0.710
4	C	0.710
5	C	0.819
6	C	0.819
7	H	-0.315
8	H	-0.315
9	H	-0.081
10	H	-0.081
11	H	-0.081
12	H	-0.081
13	H	-0.247
14	H	-0.247
15	H	-0.247
16	H	-0.247

	x	y	z
x	8.544	-0.318	0.000
y	-0.318	11.724	0.000
z	0.000	0.000	8.143

<r²>	269.067
(<r²>)^1/2	16.403

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

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

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