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	hartrees
Energy at 0K	-308.730338
Energy at 298.15K	-308.741762
Nuclear repulsion energy	249.693843

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3031	3036	0.00
2	A_g	2877	2882	0.00
3	A_g	2862	2866	0.00
4	A_g	1461	1463	0.00
5	A_g	1435	1438	0.00
6	A_g	1417	1419	0.00
7	A_g	1378	1380	0.00
8	A_g	1184	1185	0.00
9	A_g	1102	1104	0.00
10	A_g	1041	1042	0.00
11	A_g	966	968	0.00
12	A_g	381	381	0.00
13	A_g	320	320	0.00
14	A_u	2913	2918	43.78
15	A_u	2908	2912	257.65
16	A_u	1408	1410	8.65
17	A_u	1172	1173	10.67
18	A_u	1121	1123	2.79
19	A_u	816	817	0.30
20	A_u	238	238	6.45
21	A_u	89	89	7.05
22	A_u	67	67	1.23
23	B_g	2909	2913	0.00
24	B_g	2885	2890	0.00
25	B_g	1408	1410	0.00
26	B_g	1236	1238	0.00
27	B_g	1141	1142	0.00
28	B_g	1102	1104	0.00
29	B_g	224	225	0.00
30	B_g	119	120	0.00
31	B_u	3031	3036	64.55
32	B_u	2878	2882	172.12
33	B_u	2862	2867	89.64
34	B_u	1468	1471	0.58
35	B_u	1435	1437	27.20
36	B_u	1411	1414	5.67
37	B_u	1301	1303	36.80
38	B_u	1159	1161	72.89
39	B_u	1104	1106	312.52
40	B_u	916	917	57.70
41	B_u	489	490	3.61
42	B_u	137	137	2.75

Atom	x (Å)	y (Å)	z (Å)
O1	1.363	1.195	0.000
O2	-1.363	-1.195	0.000
C3	-1.486	-2.615	0.000
C4	1.486	2.615	0.000
C5	0.000	0.765	0.000
C6	0.000	-0.765	0.000
H7	2.568	2.849	0.000
H8	-2.568	-2.849	0.000
H9	-1.016	-3.076	0.903
H10	-1.016	-3.076	-0.903
H11	1.016	3.076	0.903
H12	1.016	3.076	-0.903
H13	-0.545	1.143	0.900
H14	-0.545	1.143	-0.900
H15	0.545	-1.143	0.900
H16	0.545	-1.143	-0.900

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		3.6257	4.7575	1.4257	1.4294	2.3878	2.0463	5.6398	4.9715	4.9715	2.1157	2.1157	2.1106	2.1106	2.6354	2.6354
O2	3.6257		1.4257	4.7575	2.3878	1.4294	5.6398	2.0463	2.1157	2.1157	4.9715	4.9715	2.6354	2.6354	2.1106	2.1106
C3	4.7575	1.4257		6.0156	3.6928	2.3726	6.8037	1.1070	1.1178	1.1178	6.2820	6.2820	3.9774	3.9774	2.6648	2.6648
C4	1.4257	4.7575	6.0156		2.3726	3.6928	1.1070	6.8037	6.2820	6.2820	1.1178	1.1178	2.6648	2.6648	3.9774	3.9774
C5	1.4294	2.3878	3.6928	2.3726		1.5309	3.3068	4.4338	4.0749	4.0749	2.6808	2.6808	1.1179	1.1179	2.1793	2.1793
C6	2.3878	1.4294	2.3726	3.6928	1.5309		4.4338	3.3068	2.6808	2.6808	4.0749	4.0749	2.1793	2.1793	1.1179	1.1179
H7	2.0463	5.6398	6.8037	1.1070	3.3068	4.4338		7.6710	6.9832	6.9832	1.8102	1.8102	3.6620	3.6620	4.5650	4.5650
H8	5.6398	2.0463	1.1070	6.8037	4.4338	3.3068	7.6710		1.8102	1.8102	6.9832	6.9832	4.5650	4.5650	3.6620	3.6620
H9	4.9715	2.1157	1.1178	6.2820	4.0749	2.6808	6.9832	1.8102		1.8068	6.4788	6.7260	4.2453	4.6124	2.4844	3.0699
H10	4.9715	2.1157	1.1178	6.2820	4.0749	2.6808	6.9832	1.8102	1.8068		6.7260	6.4788	4.6124	4.2453	3.0699	2.4844
H11	2.1157	4.9715	6.2820	1.1178	2.6808	4.0749	1.8102	6.9832	6.4788	6.7260		1.8068	2.4844	3.0699	4.2453	4.6124
H12	2.1157	4.9715	6.2820	1.1178	2.6808	4.0749	1.8102	6.9832	6.7260	6.4788	1.8068		3.0699	2.4844	4.6124	4.2453
H13	2.1106	2.6354	3.9774	2.6648	1.1179	2.1793	3.6620	4.5650	4.2453	4.6124	2.4844	3.0699		1.8000	2.5327	3.1072
H14	2.1106	2.6354	3.9774	2.6648	1.1179	2.1793	3.6620	4.5650	4.6124	4.2453	3.0699	2.4844	1.8000		3.1072	2.5327
H15	2.6354	2.1106	2.6648	3.9774	2.1793	1.1179	4.5650	3.6620	2.4844	3.0699	4.2453	4.6124	2.5327	3.1072		1.8000
H16	2.6354	2.1106	2.6648	3.9774	2.1793	1.1179	4.5650	3.6620	3.0699	2.4844	4.6124	4.2453	3.1072	2.5327	1.8000

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H7	107.118	O1	C4	H11	112.002
O1	C4	H12	112.002	O1	C5	C6	107.481
O1	C5	H13	111.322	O1	C5	H14	111.322
O2	C3	H8	107.118	O2	C3	H9	112.002
O2	C3	H10	112.002	O2	C6	C5	107.481
O2	C6	H15	111.322	O2	C6	H16	111.322
C3	O2	C6	112.401	C4	O1	C5	112.401
C5	C6	H15	109.740	C5	C6	H16	109.740
C6	C5	H13	109.740	C6	C5	H14	109.740
H7	C4	H11	108.902	H7	C4	H12	108.902
H8	C3	H9	108.902	H8	C3	H10	108.902
H9	C3	H10	107.844	H11	C4	H12	107.844
H13	C5	H14	107.238	H15	C6	H16	107.238

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

using model chemistry: BLYP/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	-0.289
2	O	-0.289
3	C	0.148
4	C	0.148
5	C	0.148
6	C	0.148
7	H	0.014
8	H	0.014
9	H	-0.004
10	H	-0.004
11	H	-0.004
12	H	-0.004
13	H	-0.007
14	H	-0.007
15	H	-0.007
16	H	-0.007

	x	y	z
x	8.383	1.606	0.000
y	1.606	10.253	0.000
z	0.000	0.000	7.309

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: BLYP/cc-pVDZ

States and conformations

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