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	hartrees
Energy at 0K	-307.048375
Energy at 298.15K	-307.059892
Nuclear repulsion energy	249.232685

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3140	3012	0.00
2	A_g	3015	2893	0.00
3	A_g	2995	2873	0.00
4	A_g	1587	1522	0.00
5	A_g	1567	1503	0.00
6	A_g	1509	1448	0.00
7	A_g	1438	1380	0.00
8	A_g	1215	1165	0.00
9	A_g	1122	1077	0.00
10	A_g	1074	1031	0.00
11	A_g	968	928	0.00
12	A_g	382	367	0.00
13	A_g	319	306	0.00
14	A_u	3072	2947	101.58
15	A_u	3041	2917	131.57
16	A_u	1545	1482	17.66
17	A_u	1225	1176	7.00
18	A_u	1163	1115	0.22
19	A_u	882	846	0.01
20	A_u	241	231	10.95
21	A_u	104	100	12.27
22	A_u	63	61	3.71
23	B_g	3042	2918	0.00
24	B_g	3040	2916	0.00
25	B_g	1545	1482	0.00
26	B_g	1332	1278	0.00
27	B_g	1181	1133	0.00
28	B_g	1142	1096	0.00
29	B_g	229	220	0.00
30	B_g	122	117	0.00
31	B_u	3139	3012	51.90
32	B_u	3021	2899	75.52
33	B_u	2994	2873	95.88
34	B_u	1594	1529	2.76
35	B_u	1571	1507	28.29
36	B_u	1503	1442	4.30
37	B_u	1374	1318	17.75
38	B_u	1192	1144	56.20
39	B_u	1132	1086	216.60
40	B_u	917	880	36.61
41	B_u	484	465	7.00
42	B_u	129	124	6.52

Atom	x (Å)	y (Å)	z (Å)
O1	1.395	1.153	0.000
O2	-1.395	-1.153	0.000
C3	-1.544	-2.594	0.000
C4	1.544	2.594	0.000
C5	0.000	0.761	0.000
C6	0.000	-0.761	0.000
H7	2.619	2.791	0.000
H8	-2.619	-2.791	0.000
H9	-1.093	-3.055	0.892
H10	-1.093	-3.055	-0.892
H11	1.093	3.055	0.892
H12	1.093	3.055	-0.892
H13	-0.531	1.126	0.891
H14	-0.531	1.126	-0.891
H15	0.531	-1.126	0.891
H16	0.531	-1.126	-0.891

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		3.6201	4.7626	1.4484	1.4493	2.3684	2.0448	5.6279	4.9695	4.9695	2.1225	2.1225	2.1225	2.1225	2.5957	2.5957
O2	3.6201		1.4484	4.7626	2.3684	1.4493	5.6279	2.0448	2.1225	2.1225	4.9695	4.9695	2.5957	2.5957	2.1225	2.1225
C3	4.7626	1.4484		6.0379	3.6931	2.3972	6.8070	1.0930	1.1014	1.1014	6.2979	6.2979	3.9576	3.9576	2.6937	2.6937
C4	1.4484	4.7626	6.0379		2.3972	3.6931	1.0930	6.8070	6.2979	6.2979	1.1014	1.1014	2.6937	2.6937	3.9576	3.9576
C5	1.4493	2.3684	3.6931	2.3972		1.5213	3.3142	4.4131	4.0683	4.0683	2.6935	2.6935	1.1001	1.1001	2.1534	2.1534
C6	2.3684	1.4493	2.3972	3.6931	1.5213		4.4131	3.3142	2.6935	2.6935	4.0683	4.0683	2.1534	2.1534	1.1001	1.1001
H7	2.0448	5.6279	6.8070	1.0930	3.3142	4.4131		7.6553	6.9824	6.9824	1.7881	1.7881	3.6730	3.6730	4.5279	4.5279
H8	5.6279	2.0448	1.0930	6.8070	4.4131	3.3142	7.6553		1.7881	1.7881	6.9824	6.9824	4.5279	4.5279	3.6730	3.6730
H9	4.9695	2.1225	1.1014	6.2979	4.0683	2.6935	6.9824	1.7881		1.7846	6.4894	6.7303	4.2191	4.5806	2.5213	3.0884
H10	4.9695	2.1225	1.1014	6.2979	4.0683	2.6935	6.9824	1.7881	1.7846		6.7303	6.4894	4.5806	4.2191	3.0884	2.5213
H11	2.1225	4.9695	6.2979	1.1014	2.6935	4.0683	1.7881	6.9824	6.4894	6.7303		1.7846	2.5213	3.0884	4.2191	4.5806
H12	2.1225	4.9695	6.2979	1.1014	2.6935	4.0683	1.7881	6.9824	6.7303	6.4894	1.7846		3.0884	2.5213	4.5806	4.2191
H13	2.1225	2.5957	3.9576	2.6937	1.1001	2.1534	3.6730	4.5279	4.2191	4.5806	2.5213	3.0884		1.7829	2.4904	3.0628
H14	2.1225	2.5957	3.9576	2.6937	1.1001	2.1534	3.6730	4.5279	4.5806	4.2191	3.0884	2.5213	1.7829		3.0628	2.4904
H15	2.5957	2.1225	2.6937	3.9576	2.1534	1.1001	4.5279	3.6730	2.5213	3.0884	4.2191	4.5806	2.4904	3.0628		1.7829
H16	2.5957	2.1225	2.6937	3.9576	2.1534	1.1001	4.5279	3.6730	3.0884	2.5213	4.5806	4.2191	3.0628	2.4904	1.7829

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H7	106.298	O1	C4	H11	111.977
O1	C4	H12	111.977	O1	C5	C6	105.719
O1	C5	H13	111.996	O1	C5	H14	111.996
O2	C3	H8	106.298	O2	C3	H9	111.977
O2	C3	H10	111.977	O2	C6	C5	105.719
O2	C6	H15	111.996	O2	C6	H16	111.996
C3	O2	C6	111.636	C4	O1	C5	111.636
C5	C6	H15	109.413	C5	C6	H16	109.413
C6	C5	H13	109.413	C6	C5	H14	109.413
H7	C4	H11	109.148	H7	C4	H12	109.148
H8	C3	H9	109.148	H8	C3	H10	109.148
H9	C3	H10	108.228	H11	C4	H12	108.228
H13	C5	H14	108.250	H15	C6	H16	108.250

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

using model chemistry: B3PW91/3-21G*

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	-0.497
2	O	-0.497
3	C	-0.365
4	C	-0.365
5	C	-0.170
6	C	-0.170
7	H	0.226
8	H	0.226
9	H	0.194
10	H	0.194
11	H	0.194
12	H	0.194
13	H	0.209
14	H	0.209
15	H	0.209
16	H	0.209

<r²>	274.948
(<r²>)^1/2	16.582

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

using model chemistry: B3PW91/3-21G*

States and conformations

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