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	hartrees
Energy at 0K	-58.992696
Energy at 298.15K	-59.004401
Nuclear repulsion energy	144.087883

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3345	3016	0.00
2	A_g	3229	2910	0.00
3	A_g	3194	2879	0.00
4	A_g	1665	1501	0.00
5	A_g	1642	1480	0.00
6	A_g	1614	1455	0.00
7	A_g	1576	1421	0.00
8	A_g	1332	1200	0.00
9	A_g	1254	1130	0.00
10	A_g	1167	1052	0.00
11	A_g	1055	951	0.00
12	A_g	404	364	0.00
13	A_g	329	297	0.00
14	A_u	3299	2974	222.10
15	A_u	3268	2945	199.91
16	A_u	1633	1472	17.41
17	A_u	1329	1198	23.85
18	A_u	1261	1137	5.42
19	A_u	906	816	0.25
20	A_u	223	201	22.36
21	A_u	113	102	17.61
22	A_u	70	63	8.53
23	B_g	3269	2947	0.00
24	B_g	3267	2945	0.00
25	B_g	1633	1472	0.00
26	B_g	1411	1272	0.00
27	B_g	1273	1148	0.00
28	B_g	1237	1115	0.00
29	B_g	203	183	0.00
30	B_g	116	104	0.00
31	B_u	3345	3015	141.46
32	B_u	3227	2909	165.66
33	B_u	3193	2878	172.23
34	B_u	1670	1505	7.32
35	B_u	1641	1479	21.56
36	B_u	1604	1446	4.15
37	B_u	1490	1343	35.73
38	B_u	1316	1186	167.28
39	B_u	1233	1112	296.45
40	B_u	987	890	69.63
41	B_u	510	460	7.57
42	B_u	149	134	8.94

Atom	x (Å)	y (Å)	z (Å)
O1	1.377	1.179	0.000
O2	-1.377	-1.179	0.000
C3	-1.604	-2.595	0.000
C4	1.604	2.595	0.000
C5	0.000	0.763	0.000
C6	0.000	-0.763	0.000
H7	2.678	2.740	0.000
H8	-2.678	-2.740	0.000
H9	-1.174	-3.057	0.890
H10	-1.174	-3.057	-0.890
H11	1.174	3.057	0.890
H12	1.174	3.057	-0.890
H13	-0.512	1.139	0.885
H14	-0.512	1.139	-0.885
H15	0.512	-1.139	0.885
H16	0.512	-1.139	-0.885

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		3.6253	4.8097	1.4342	1.4383	2.3805	2.0322	5.6393	5.0245	5.0245	2.0885	2.0885	2.0867	2.0867	2.6280	2.6280
O2	3.6253		1.4342	4.8097	2.3805	1.4383	5.6393	2.0322	2.0885	2.0885	5.0245	5.0245	2.6280	2.6280	2.0867	2.0867
C3	4.8097	1.4342		6.1022	3.7216	2.4355	6.8414	1.0834	1.0918	1.0918	6.3610	6.3610	3.9904	3.9904	2.7175	2.7175
C4	1.4342	4.8097	6.1022		2.4355	3.7216	1.0834	6.8414	6.3610	6.3610	1.0918	1.0918	2.7175	2.7175	3.9904	3.9904
C5	1.4383	2.3805	3.7216	2.4355		1.5257	3.3289	4.4093	4.0944	4.0944	2.7268	2.7268	1.0901	1.0901	2.1598	2.1598
C6	2.3805	1.4383	2.4355	3.7216	1.5257		4.4093	3.3289	2.7268	2.7268	4.0944	4.0944	2.1598	2.1598	1.0901	1.0901
H7	2.0322	5.6393	6.8414	1.0834	3.3289	4.4093		7.6628	7.0170	7.0170	1.7769	1.7769	3.6777	3.6777	4.5302	4.5302
H8	5.6393	2.0322	1.0834	6.8414	4.4093	3.3289	7.6628		1.7769	1.7769	7.0170	7.0170	4.5302	4.5302	3.6777	3.6777
H9	5.0245	2.0885	1.0918	6.3610	4.0944	2.7268	7.0170	1.7769		1.7808	6.5498	6.7876	4.2485	4.6047	2.5538	3.1105
H10	5.0245	2.0885	1.0918	6.3610	4.0944	2.7268	7.0170	1.7769	1.7808		6.7876	6.5498	4.6047	4.2485	3.1105	2.5538
H11	2.0885	5.0245	6.3610	1.0918	2.7268	4.0944	1.7769	7.0170	6.5498	6.7876		1.7808	2.5538	3.1105	4.2485	4.6047
H12	2.0885	5.0245	6.3610	1.0918	2.7268	4.0944	1.7769	7.0170	6.7876	6.5498	1.7808		3.1105	2.5538	4.6047	4.2485
H13	2.0867	2.6280	3.9904	2.7175	1.0901	2.1598	3.6777	4.5302	4.2485	4.6047	2.5538	3.1105		1.7709	2.4985	3.0625
H14	2.0867	2.6280	3.9904	2.7175	1.0901	2.1598	3.6777	4.5302	4.6047	4.2485	3.1105	2.5538	1.7709		3.0625	2.4985
H15	2.6280	2.0867	2.7175	3.9904	2.1598	1.0901	4.5302	3.6777	2.5538	3.1105	4.2485	4.6047	2.4985	3.0625		1.7709
H16	2.6280	2.0867	2.7175	3.9904	2.1598	1.0901	4.5302	3.6777	3.1105	2.5538	4.6047	4.2485	3.0625	2.4985	1.7709

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H7	106.815	O1	C4	H11	110.813
O1	C4	H12	110.813	O1	C5	C6	106.826
O1	C5	H13	110.483	O1	C5	H14	110.483
O2	C3	H8	106.815	O2	C3	H9	110.813
O2	C3	H10	110.813	O2	C6	C5	106.826
O2	C6	H15	110.483	O2	C6	H16	110.483
C3	O2	C6	115.965	C4	O1	C5	115.965
C5	C6	H15	110.205	C5	C6	H16	110.205
C6	C5	H13	110.205	C6	C5	H14	110.205
H7	C4	H11	109.541	H7	C4	H12	109.541
H8	C3	H9	109.541	H8	C3	H10	109.541
H9	C3	H10	109.279	H11	C4	H12	109.279
H13	C5	H14	108.636	H15	C6	H16	108.636

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

using model chemistry: HF/CEP-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	-0.439
2	O	-0.439
3	C	-0.189
4	C	-0.189
5	C	0.005
6	C	0.005
7	H	0.177
8	H	0.177
9	H	0.119
10	H	0.119
11	H	0.119
12	H	0.119
13	H	0.104
14	H	0.104
15	H	0.104
16	H	0.104

	x	y	z
x	6.786	1.256	0.000
y	1.256	7.637	0.000
z	0.000	0.000	5.705

<r²>	225.671
(<r²>)^1/2	15.022

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

using model chemistry: HF/CEP-31G

States and conformations

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