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	hartrees
Energy at 0K	-307.111296
Energy at 298.15K	-307.123242
HF Energy	-307.111296
Nuclear repulsion energy	255.046326

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3250	2946	0.00
2	A_g	3139	2845	0.00
3	A_g	3125	2832	0.00
4	A_g	1651	1496	0.00
5	A_g	1629	1477	0.00
6	A_g	1620	1468	0.00
7	A_g	1582	1434	0.00
8	A_g	1365	1237	0.00
9	A_g	1285	1165	0.00
10	A_g	1160	1052	0.00
11	A_g	1114	1010	0.00
12	A_g	425	385	0.00
13	A_g	354	321	0.00
14	A_u	3181	2883	155.30
15	A_u	3170	2873	115.13
16	A_u	1615	1464	12.28
17	A_u	1355	1229	17.75
18	A_u	1284	1164	6.55
19	A_u	897	813	0.94
20	A_u	245	223	11.23
21	A_u	118	107	5.90
22	A_u	74	67	4.83
23	B_g	3170	2873	0.00
24	B_g	3151	2856	0.00
25	B_g	1615	1464	0.00
26	B_g	1415	1283	0.00
27	B_g	1300	1178	0.00
28	B_g	1257	1139	0.00
29	B_g	224	203	0.00
30	B_g	127	115	0.00
31	B_u	3250	2946	93.89
32	B_u	3140	2846	158.58
33	B_u	3124	2832	83.16
34	B_u	1658	1503	4.36
35	B_u	1626	1474	18.48
36	B_u	1608	1457	4.54
37	B_u	1494	1354	44.85
38	B_u	1349	1223	251.97
39	B_u	1275	1155	289.83
40	B_u	1058	959	71.68
41	B_u	541	490	4.76
42	B_u	160	145	3.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.424	1.737	0.000
O2	-0.424	-1.737	0.000
C3	0.238	-2.965	0.000
C4	-0.238	2.965	0.000
C5	-0.424	0.626	0.000
C6	0.424	-0.626	0.000
H7	0.507	3.747	0.000
H8	-0.507	-3.747	0.000
H9	0.862	-3.068	0.882
H10	0.862	-3.068	-0.882
H11	-0.862	3.068	0.882
H12	-0.862	3.068	-0.882
H13	-1.062	0.641	0.878
H14	-1.062	0.641	-0.878
H15	1.062	-0.641	0.878
H16	1.062	-0.641	-0.878

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		3.5754	4.7052	1.3949	1.3969	2.3631	2.0115	5.5616	4.9045	4.9045	2.0500	2.0500	2.0444	2.0444	2.6139	2.6139
O2	3.5754		1.3949	4.7052	2.3631	1.3969	5.5616	2.0115	2.0500	2.0500	4.9045	4.9045	2.6139	2.6139	2.0444	2.0444
C3	4.7052	1.3949		5.9486	3.6516	2.3458	6.7167	1.0795	1.0854	1.0854	6.1952	6.1952	3.9324	3.9324	2.6172	2.6172
C4	1.3949	4.7052	5.9486		2.3458	3.6516	1.0795	6.7167	6.1952	6.1952	1.0854	1.0854	2.6172	2.6172	3.9324	3.9324
C5	1.3969	2.3631	3.6516	2.3458		1.5126	3.2559	4.3737	4.0098	4.0098	2.6327	2.6327	1.0856	1.0856	2.1415	2.1415
C6	2.3631	1.3969	2.3458	3.6516	1.5126		4.3737	3.2559	2.6327	2.6327	4.0098	4.0098	2.1415	2.1415	1.0856	1.0856
H7	2.0115	5.5616	6.7167	1.0795	3.2559	4.3737		7.5613	6.8804	6.8804	1.7639	1.7639	3.5883	3.5883	4.5090	4.5090
H8	5.5616	2.0115	1.0795	6.7167	4.3737	3.2559	7.5613		1.7639	1.7639	6.8804	6.8804	4.5090	4.5090	3.5883	3.5883
H9	4.9045	2.0500	1.0854	6.1952	4.0098	2.6327	6.8804	1.7639		1.7644	6.3732	6.6129	4.1784	4.5339	2.4350	3.0044
H10	4.9045	2.0500	1.0854	6.1952	4.0098	2.6327	6.8804	1.7639	1.7644		6.6129	6.3732	4.5339	4.1784	3.0044	2.4350
H11	2.0500	4.9045	6.1952	1.0854	2.6327	4.0098	1.7639	6.8804	6.3732	6.6129		1.7644	2.4350	3.0044	4.1784	4.5339
H12	2.0500	4.9045	6.1952	1.0854	2.6327	4.0098	1.7639	6.8804	6.6129	6.3732	1.7644		3.0044	2.4350	4.5339	4.1784
H13	2.0444	2.6139	3.9324	2.6172	1.0856	2.1415	3.5883	4.5090	4.1784	4.5339	2.4350	3.0044		1.7555	2.4819	3.0400
H14	2.0444	2.6139	3.9324	2.6172	1.0856	2.1415	3.5883	4.5090	4.5339	4.1784	3.0044	2.4350	1.7555		3.0400	2.4819
H15	2.6139	2.0444	2.6172	3.9324	2.1415	1.0856	4.5090	3.5883	2.4350	3.0044	4.1784	4.5339	2.4819	3.0400		1.7555
H16	2.6139	2.0444	2.6172	3.9324	2.1415	1.0856	4.5090	3.5883	3.0044	2.4350	4.5339	4.1784	3.0400	2.4819	1.7555

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H7	108.091	O1	C4	H11	110.868
O1	C4	H12	110.868	O1	C5	C6	108.560
O1	C5	H13	110.253	O1	C5	H14	110.253
O2	C3	H8	108.091	O2	C3	H9	110.868
O2	C3	H10	110.868	O2	C6	C5	108.560
O2	C6	H15	110.253	O2	C6	H16	110.253
C3	O2	C6	114.334	C4	O1	C5	114.334
C5	C6	H15	109.934	C5	C6	H16	109.934
C6	C5	H13	109.934	C6	C5	H14	109.934
H7	C4	H11	109.125	H7	C4	H12	109.125
H8	C3	H9	109.125	H8	C3	H10	109.125
H9	C3	H10	108.732	H11	C4	H12	108.732
H13	C5	H14	107.904	H15	C6	H16	107.904

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

using model chemistry: HF/Def2TZVPP

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	-0.403
2	O	-0.403
3	C	0.017
4	C	0.017
5	C	0.152
6	C	0.152
7	H	0.074
8	H	0.074
9	H	0.048
10	H	0.048
11	H	0.048
12	H	0.048
13	H	0.032
14	H	0.032
15	H	0.032
16	H	0.032

	x	y	z
x	7.406	-0.130	0.000
y	-0.130	10.050	0.000
z	0.000	0.000	7.258

<r²>	266.983
(<r²>)^1/2	16.340

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

using model chemistry: HF/Def2TZVPP

States and conformations

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