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	hartrees
Energy at 0K	-308.492735
Energy at 298.15K	-308.504256
Nuclear repulsion energy	250.900408

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3067	3032	0.00
2	A_g	2909	2875	0.00
3	A_g	2898	2865	0.00
4	A_g	1477	1460	0.00
5	A_g	1455	1438	0.00
6	A_g	1430	1414	0.00
7	A_g	1392	1376	0.00
8	A_g	1194	1181	0.00
9	A_g	1132	1119	0.00
10	A_g	1054	1042	0.00
11	A_g	988	977	0.00
12	A_g	386	382	0.00
13	A_g	324	320	0.00
14	A_u	2958	2924	1.00
15	A_u	2951	2918	236.94
16	A_u	1437	1421	17.12
17	A_u	1191	1178	12.48
18	A_u	1135	1122	2.51
19	A_u	812	803	0.19
20	A_u	244	241	7.33
21	A_u	97	96	9.61
22	A_u	70	69	3.02
23	B_g	2955	2921	0.00
24	B_g	2929	2895	0.00
25	B_g	1437	1421	0.00
26	B_g	1250	1236	0.00
27	B_g	1148	1135	0.00
28	B_g	1110	1098	0.00
29	B_g	234	231	0.00
30	B_g	129	127	0.00
31	B_u	3067	3032	51.05
32	B_u	2911	2877	169.13
33	B_u	2900	2867	98.68
34	B_u	1483	1466	3.21
35	B_u	1456	1439	25.30
36	B_u	1425	1409	1.15
37	B_u	1312	1297	19.26
38	B_u	1173	1160	115.70
39	B_u	1132	1119	249.21
40	B_u	939	928	65.51
41	B_u	492	486	3.07
42	B_u	144	143	3.98

Atom	x (Å)	y (Å)	z (Å)
O1	0.435	1.753	0.000
O2	-0.435	-1.753	0.000
C3	0.281	-2.980	0.000
C4	-0.281	2.980	0.000
C5	-0.435	0.627	0.000
C6	0.435	-0.627	0.000
H7	0.465	3.789	0.000
H8	-0.465	-3.789	0.000
H9	0.923	-3.078	0.901
H10	0.923	-3.078	-0.901
H11	-0.923	3.078	0.901
H12	-0.923	3.078	-0.901
H13	-1.090	0.631	0.898
H14	-1.090	0.631	-0.898
H15	1.090	-0.631	0.898
H16	1.090	-0.631	-0.898

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		3.6126	4.7361	1.4206	1.4229	2.3799	2.0364	5.6152	4.9391	4.9391	2.1001	2.1001	2.0955	2.0955	2.6302	2.6302
O2	3.6126		1.4206	4.7361	2.3799	1.4229	5.6152	2.0364	2.1001	2.1001	4.9391	4.9391	2.6302	2.6302	2.0955	2.0955
C3	4.7361	1.4206		5.9872	3.6774	2.3587	6.7722	1.1007	1.1106	1.1106	6.2425	6.2425	3.9655	3.9655	2.6424	2.6424
C4	1.4206	4.7361	5.9872		2.3587	3.6774	1.1007	6.7722	6.2425	6.2425	1.1106	1.1106	2.6424	2.6424	3.9655	3.9655
C5	1.4229	2.3799	3.6774	2.3587		1.5253	3.2882	4.4162	4.0475	4.0475	2.6572	2.6572	1.1116	1.1116	2.1706	2.1706
C6	2.3799	1.4229	2.3587	3.6774	1.5253		4.4162	3.2882	2.6572	2.6572	4.0475	4.0475	2.1706	2.1706	1.1116	1.1116
H7	2.0364	5.6152	6.7722	1.1007	3.2882	4.4162		7.6357	6.9417	6.9417	1.8011	1.8011	3.6336	3.6336	4.5533	4.5533
H8	5.6152	2.0364	1.1007	6.7722	4.4162	3.2882	7.6357		1.8011	1.8011	6.9417	6.9417	4.5533	4.5533	3.6336	3.6336
H9	4.9391	2.1001	1.1106	6.2425	4.0475	2.6572	6.9417	1.8011		1.8023	6.4274	6.6753	4.2199	4.5874	2.4535	3.0423
H10	4.9391	2.1001	1.1106	6.2425	4.0475	2.6572	6.9417	1.8011	1.8023		6.6753	6.4274	4.5874	4.2199	3.0423	2.4535
H11	2.1001	4.9391	6.2425	1.1106	2.6572	4.0475	1.8011	6.9417	6.4274	6.6753		1.8023	2.4535	3.0423	4.2199	4.5874
H12	2.1001	4.9391	6.2425	1.1106	2.6572	4.0475	1.8011	6.9417	6.6753	6.4274	1.8023		3.0423	2.4535	4.5874	4.2199
H13	2.0955	2.6302	3.9655	2.6424	1.1116	2.1706	3.6336	4.5533	4.2199	4.5874	2.4535	3.0423		1.7955	2.5188	3.0932
H14	2.0955	2.6302	3.9655	2.6424	1.1116	2.1706	3.6336	4.5533	4.5874	4.2199	3.0423	2.4535	1.7955		3.0932	2.5188
H15	2.6302	2.0955	2.6424	3.9655	2.1706	1.1116	4.5533	3.6336	2.4535	3.0423	4.2199	4.5874	2.5188	3.0932		1.7955
H16	2.6302	2.0955	2.6424	3.9655	2.1706	1.1116	4.5533	3.6336	3.0423	2.4535	4.5874	4.2199	3.0932	2.5188	1.7955

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H7	107.054	O1	C4	H11	111.550
O1	C4	H12	111.550	O1	C5	C6	107.602
O1	C5	H13	110.947	O1	C5	H14	110.947
O2	C3	H8	107.054	O2	C3	H9	111.550
O2	C3	H10	111.550	O2	C6	C5	107.602
O2	C6	H15	110.947	O2	C6	H16	110.947
C3	O2	C6	112.093	C4	O1	C5	112.093
C5	C6	H15	109.812	C5	C6	H16	109.812
C6	C5	H13	109.812	C6	C5	H14	109.812
H7	C4	H11	109.080	H7	C4	H12	109.080
H8	C3	H9	109.080	H8	C3	H10	109.080
H9	C3	H10	108.472	H11	C4	H12	108.472
H13	C5	H14	107.726	H15	C6	H16	107.726

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

using model chemistry: PBEPBE/6-31+G**

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	-0.280
2	O	-0.280
3	C	-0.275
4	C	-0.275
5	C	-0.215
6	C	-0.215
7	H	0.165
8	H	0.165
9	H	0.147
10	H	0.147
11	H	0.147
12	H	0.147
13	H	0.156
14	H	0.156
15	H	0.156
16	H	0.156

	x	y	z
x	8.327	-0.250	0.000
y	-0.250	11.333	0.000
z	0.000	0.000	7.966

<r²>	273.336
(<r²>)^1/2	16.533

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

using model chemistry: PBEPBE/6-31+G**

States and conformations

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