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	hartrees
Energy at 0K	-306.980196
Energy at 298.15K	-306.992164
HF Energy	-306.980196
Nuclear repulsion energy	254.759351

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3305	2969	0.00
2	A_g	3190	2866	0.00
3	A_g	3174	2852	0.00
4	A_g	1682	1511	0.00
5	A_g	1659	1491	0.00
6	A_g	1645	1478	0.00
7	A_g	1605	1442	0.00
8	A_g	1378	1238	0.00
9	A_g	1297	1166	0.00
10	A_g	1174	1055	0.00
11	A_g	1123	1009	0.00
12	A_g	426	383	0.00
13	A_g	356	320	0.00
14	A_u	3236	2907	199.01
15	A_u	3225	2898	105.58
16	A_u	1645	1478	7.40
17	A_u	1367	1229	19.43
18	A_u	1296	1164	7.36
19	A_u	903	811	1.73
20	A_u	254	228	14.27
21	A_u	123	111	7.32
22	A_u	75	67	5.42
23	B_g	3225	2898	0.00
24	B_g	3207	2882	0.00
25	B_g	1645	1478	0.00
26	B_g	1428	1283	0.00
27	B_g	1312	1178	0.00
28	B_g	1269	1140	0.00
29	B_g	232	208	0.00
30	B_g	130	117	0.00
31	B_u	3305	2969	101.96
32	B_u	3190	2866	145.66
33	B_u	3174	2852	75.94
34	B_u	1689	1518	3.01
35	B_u	1658	1489	17.75
36	B_u	1633	1467	13.76
37	B_u	1508	1355	60.10
38	B_u	1362	1224	264.36
39	B_u	1288	1158	260.12
40	B_u	1068	960	74.40
41	B_u	544	488	5.61
42	B_u	159	143	4.63

Atom	x (Å)	y (Å)	z (Å)
O1	0.428	1.726	0.000
O2	-0.428	-1.726	0.000
C3	0.223	-2.956	0.000
C4	-0.223	2.956	0.000
C5	-0.428	0.625	0.000
C6	0.428	-0.625	0.000
H7	0.536	3.727	0.000
H8	-0.536	-3.727	0.000
H9	0.847	-3.076	0.883
H10	0.847	-3.076	-0.883
H11	-0.847	3.076	0.883
H12	-0.847	3.076	-0.883
H13	-1.069	0.629	0.879
H14	-1.069	0.629	-0.879
H15	1.069	-0.629	0.879
H16	1.069	-0.629	-0.879

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		3.5555	4.6863	1.3921	1.3944	2.3501	2.0045	5.5371	4.8997	4.8997	2.0564	2.0564	2.0532	2.0532	2.5941	2.5941
O2	3.5555		1.3921	4.6863	2.3501	1.3944	5.5371	2.0045	2.0564	2.0564	4.8997	4.8997	2.5941	2.5941	2.0532	2.0532
C3	4.6863	1.3921		5.9293	3.6394	2.3407	6.6907	1.0813	1.0883	1.0883	6.1894	6.1894	3.9114	3.9114	2.6275	2.6275
C4	1.3921	4.6863	5.9293		2.3407	3.6394	1.0813	6.6907	6.1894	6.1894	1.0883	1.0883	2.6275	2.6275	3.9114	3.9114
C5	1.3944	2.3501	3.6394	2.3407		1.5141	3.2487	4.3529	4.0121	4.0121	2.6389	2.6389	1.0882	1.0882	2.1416	2.1416
C6	2.3501	1.3944	2.3407	3.6394	1.5141		4.3529	3.2487	2.6389	2.6389	4.0121	4.0121	2.1416	2.1416	1.0882	1.0882
H7	2.0045	5.5371	6.6907	1.0813	3.2487	4.3529		7.5307	6.8669	6.8669	1.7655	1.7655	3.5978	3.5978	4.4762	4.4762
H8	5.5371	2.0045	1.0813	6.6907	4.3529	3.2487	7.5307		1.7655	1.7655	6.8669	6.8669	4.4762	4.4762	3.5978	3.5978
H9	4.8997	2.0564	1.0883	6.1894	4.0121	2.6389	6.8669	1.7655		1.7663	6.3804	6.6204	4.1714	4.5283	2.4563	3.0230
H10	4.8997	2.0564	1.0883	6.1894	4.0121	2.6389	6.8669	1.7655	1.7663		6.6204	6.3804	4.5283	4.1714	3.0230	2.4563
H11	2.0564	4.8997	6.1894	1.0883	2.6389	4.0121	1.7655	6.8669	6.3804	6.6204		1.7663	2.4563	3.0230	4.1714	4.5283
H12	2.0564	4.8997	6.1894	1.0883	2.6389	4.0121	1.7655	6.8669	6.6204	6.3804	1.7663		3.0230	2.4563	4.5283	4.1714
H13	2.0532	2.5941	3.9114	2.6275	1.0882	2.1416	3.5978	4.4762	4.1714	4.5283	2.4563	3.0230		1.7580	2.4815	3.0412
H14	2.0532	2.5941	3.9114	2.6275	1.0882	2.1416	3.5978	4.4762	4.5283	4.1714	3.0230	2.4563	1.7580		3.0412	2.4815
H15	2.5941	2.0532	2.6275	3.9114	2.1416	1.0882	4.4762	3.5978	2.4563	3.0230	4.1714	4.5283	2.4815	3.0412		1.7580
H16	2.5941	2.0532	2.6275	3.9114	2.1416	1.0882	4.4762	3.5978	3.0230	2.4563	4.5283	4.1714	3.0412	2.4815	1.7580

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H7	107.604	O1	C4	H11	111.418
O1	C4	H12	111.418	O1	C5	C6	107.728
O1	C5	H13	110.992	O1	C5	H14	110.992
O2	C3	H8	107.604	O2	C3	H9	111.418
O2	C3	H10	111.418	O2	C6	C5	107.728
O2	C6	H15	110.992	O2	C6	H16	110.992
C3	O2	C6	114.283	C4	O1	C5	114.283
C5	C6	H15	109.683	C5	C6	H16	109.683
C6	C5	H13	109.683	C6	C5	H14	109.683
H7	C4	H11	108.926	H7	C4	H12	108.926
H8	C3	H9	108.926	H8	C3	H10	108.926
H9	C3	H10	108.491	H11	C4	H12	108.491
H13	C5	H14	107.761	H15	C6	H16	107.761

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

using model chemistry: HF/6-31G*

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	-0.620
2	O	-0.620
3	C	-0.159
4	C	-0.159
5	C	0.013
6	C	0.013
7	H	0.177
8	H	0.177
9	H	0.143
10	H	0.143
11	H	0.143
12	H	0.143
13	H	0.152
14	H	0.152
15	H	0.152
16	H	0.152

	x	y	z
x	6.335	0.004	0.000
y	0.004	8.555	0.000
z	0.000	0.000	6.371

<r²>	266.980
(<r²>)^1/2	16.340

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

using model chemistry: HF/6-31G*

States and conformations

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