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	hartrees
Energy at 0K	-308.505930
Energy at 298.15K	-308.517629
HF Energy	-308.218426
Nuclear repulsion energy	252.630087

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3178	3017	0.00
2	A_g	3034	2879	0.00
3	A_g	3023	2869	0.00
4	A_g	1579	1499	0.00
5	A_g	1556	1477	0.00
6	A_g	1526	1449	0.00
7	A_g	1483	1407	0.00
8	A_g	1265	1201	0.00
9	A_g	1188	1127	0.00
10	A_g	1106	1050	0.00
11	A_g	1035	982	0.00
12	A_g	402	382	0.00
13	A_g	337	320	0.00
14	A_u	3082	2925	6.88
15	A_u	3079	2923	241.54
16	A_u	1537	1459	9.63
17	A_u	1261	1197	12.89
18	A_u	1201	1140	2.80
19	A_u	856	813	0.53
20	A_u	249	236	9.07
21	A_u	108	102	7.38
22	A_u	71	68	4.18
23	B_g	3081	2924	0.00
24	B_g	3055	2900	0.00
25	B_g	1537	1459	0.00
26	B_g	1324	1257	0.00
27	B_g	1220	1158	0.00
28	B_g	1180	1120	0.00
29	B_g	233	221	0.00
30	B_g	128	121	0.00
31	B_u	3178	3017	64.61
32	B_u	3035	2881	137.82
33	B_u	3024	2871	69.27
34	B_u	1587	1506	2.01
35	B_u	1556	1477	20.87
36	B_u	1518	1441	9.10
37	B_u	1391	1320	36.97
38	B_u	1245	1182	132.84
39	B_u	1186	1126	247.61
40	B_u	982	932	60.76
41	B_u	513	487	4.39
42	B_u	149	142	4.18

Atom	x (Å)	y (Å)	z (Å)
O1	0.435	1.750	0.000
O2	-0.435	-1.750	0.000
C3	0.274	-2.986	0.000
C4	-0.274	2.986	0.000
C5	-0.435	0.622	0.000
C6	0.435	-0.622	0.000
H7	0.474	3.780	0.000
H8	-0.474	-3.780	0.000
H9	0.904	-3.087	0.892
H10	0.904	-3.087	-0.892
H11	-0.904	3.087	0.892
H12	-0.904	3.087	-0.892
H13	-1.077	0.621	0.892
H14	-1.077	0.621	-0.892
H15	1.077	-0.621	0.892
H16	1.077	-0.621	-0.892

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		3.6060	4.7382	1.4251	1.4246	2.3718	2.0311	5.6042	4.9403	4.9403	2.0922	2.0922	2.0871	2.0871	2.6123	2.6123
O2	3.6060		1.4251	4.7382	2.3718	1.4246	5.6042	2.0311	2.0922	2.0922	4.9403	4.9403	2.6123	2.6123	2.0871	2.0871
C3	4.7382	1.4251		5.9967	3.6771	2.3692	6.7691	1.0910	1.0967	1.0967	6.2498	6.2498	3.9528	3.9528	2.6522	2.6522
C4	1.4251	4.7382	5.9967		2.3692	3.6771	1.0910	6.7691	6.2498	6.2498	1.0967	1.0967	2.6522	2.6522	3.9528	3.9528
C5	1.4246	2.3718	3.6771	2.3692		1.5189	3.2864	4.4027	4.0431	4.0431	2.6626	2.6626	1.0982	1.0982	2.1507	2.1507
C6	2.3718	1.4246	2.3692	3.6771	1.5189		4.4027	3.2864	2.6626	2.6626	4.0431	4.0431	2.1507	2.1507	1.0982	1.0982
H7	2.0311	5.6042	6.7691	1.0910	3.2864	4.4027		7.6199	6.9382	6.9382	1.7817	1.7817	3.6309	3.6309	4.5306	4.5306
H8	5.6042	2.0311	1.0910	6.7691	4.4027	3.2864	7.6199		1.7817	1.7817	6.9382	6.9382	4.5306	4.5306	3.6309	3.6309
H9	4.9403	2.0922	1.0967	6.2498	4.0431	2.6626	6.9382	1.7817		1.7840	6.4329	6.6757	4.2032	4.5660	2.4724	3.0485
H10	4.9403	2.0922	1.0967	6.2498	4.0431	2.6626	6.9382	1.7817	1.7840		6.6757	6.4329	4.5660	4.2032	3.0485	2.4724
H11	2.0922	4.9403	6.2498	1.0967	2.6626	4.0431	1.7817	6.9382	6.4329	6.6757		1.7840	2.4724	3.0485	4.2032	4.5660
H12	2.0922	4.9403	6.2498	1.0967	2.6626	4.0431	1.7817	6.9382	6.6757	6.4329	1.7840		3.0485	2.4724	4.5660	4.2032
H13	2.0871	2.6123	3.9528	2.6522	1.0982	2.1507	3.6309	4.5306	4.2032	4.5660	2.4724	3.0485		1.7831	2.4853	3.0588
H14	2.0871	2.6123	3.9528	2.6522	1.0982	2.1507	3.6309	4.5306	4.5660	4.2032	3.0485	2.4724	1.7831		3.0588	2.4853
H15	2.6123	2.0871	2.6522	3.9528	2.1507	1.0982	4.5306	3.6309	2.4724	3.0485	4.2032	4.5660	2.4853	3.0588		1.7831
H16	2.6123	2.0871	2.6522	3.9528	2.1507	1.0982	4.5306	3.6309	3.0485	2.4724	4.5660	4.2032	3.0588	2.4853	1.7831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H7	106.900	O1	C4	H11	111.453
O1	C4	H12	111.453	O1	C5	C6	107.334
O1	C5	H13	110.983	O1	C5	H14	110.983
O2	C3	H8	106.900	O2	C3	H9	111.453
O2	C3	H10	111.453	O2	C6	C5	107.334
O2	C6	H15	110.983	O2	C6	H16	110.983
C3	O2	C6	112.479	C4	O1	C5	112.479
C5	C6	H15	109.484	C5	C6	H16	109.484
C6	C5	H13	109.484	C6	C5	H14	109.484
H7	C4	H11	109.063	H7	C4	H12	109.063
H8	C3	H9	109.063	H8	C3	H10	109.063
H9	C3	H10	108.845	H11	C4	H12	108.845
H13	C5	H14	108.553	H15	C6	H16	108.553

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

using model chemistry: B2PLYP/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	-0.537
2	O	-0.537
3	C	-0.180
4	C	-0.180
5	C	-0.012
6	C	-0.012
7	H	0.167
8	H	0.167
9	H	0.139
10	H	0.139
11	H	0.139
12	H	0.139
13	H	0.142
14	H	0.142
15	H	0.142
16	H	0.142

	x	y	z
x	6.663	-0.103	0.000
y	-0.103	9.467	0.000
z	0.000	0.000	6.597

<r²>	269.344
(<r²>)^1/2	16.412

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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