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	hartrees
Energy at 0K	-308.729000
Energy at 298.15K	-308.740636
Nuclear repulsion energy	253.314102

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3155	3018	0.00
2	A_g	3005	2875	0.00
3	A_g	2996	2866	0.00
4	A_g	1525	1459	0.00
5	A_g	1502	1437	0.00
6	A_g	1482	1418	0.00
7	A_g	1445	1382	0.00
8	A_g	1244	1190	0.00
9	A_g	1193	1141	0.00
10	A_g	1093	1045	0.00
11	A_g	1036	991	0.00
12	A_g	398	381	0.00
13	A_g	330	316	0.00
14	A_u	3061	2928	17.30
15	A_u	3053	2921	208.86
16	A_u	1488	1423	17.13
17	A_u	1237	1183	14.64
18	A_u	1175	1124	3.20
19	A_u	833	797	0.27
20	A_u	243	233	9.17
21	A_u	98	94	9.26
22	A_u	71	68	3.62
23	B_g	3055	2922	0.00
24	B_g	3034	2902	0.00
25	B_g	1488	1424	0.00
26	B_g	1294	1238	0.00
27	B_g	1189	1138	0.00
28	B_g	1148	1098	0.00
29	B_g	230	220	0.00
30	B_g	129	124	0.00
31	B_u	3155	3018	54.70
32	B_u	3008	2878	138.54
33	B_u	2996	2866	110.30
34	B_u	1531	1464	4.08
35	B_u	1503	1437	24.98
36	B_u	1474	1410	1.36
37	B_u	1357	1298	24.84
38	B_u	1232	1178	251.28
39	B_u	1184	1132	149.82
40	B_u	989	946	68.73
41	B_u	500	479	3.59
42	B_u	145	139	4.30

Atom	x (Å)	y (Å)	z (Å)
O1	0.430	1.736	0.000
O2	-0.430	-1.736	0.000
C3	0.268	-2.956	0.000
C4	-0.268	2.956	0.000
C5	-0.430	0.622	0.000
C6	0.430	-0.622	0.000
H7	0.475	3.755	0.000
H8	-0.475	-3.755	0.000
H9	0.902	-3.057	0.892
H10	0.902	-3.057	-0.892
H11	-0.902	3.057	0.892
H12	-0.902	3.057	-0.892
H13	-1.078	0.626	0.889
H14	-1.078	0.626	-0.889
H15	1.078	-0.626	0.889
H16	1.078	-0.626	-0.889

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		3.5776	4.6956	1.4055	1.4074	2.3588	2.0192	5.5655	4.8983	4.8983	2.0769	2.0769	2.0729	2.0729	2.6063	2.6063
O2	3.5776		1.4055	4.6956	2.3588	1.4074	5.5655	2.0192	2.0769	2.0769	4.8983	4.8983	2.6063	2.6063	2.0729	2.0729
C3	4.6956	1.4055		5.9371	3.6463	2.3397	6.7148	1.0904	1.0992	1.0992	6.1906	6.1906	3.9292	3.9292	2.6223	2.6223
C4	1.4055	4.6956	5.9371		2.3397	3.6463	1.0904	6.7148	6.1906	6.1906	1.0992	1.0992	2.6223	2.6223	3.9292	3.9292
C5	1.4074	2.3588	3.6463	2.3397		1.5132	3.2607	4.3777	4.0133	4.0133	2.6353	2.6353	1.1000	1.1000	2.1506	2.1506
C6	2.3588	1.4074	2.3397	3.6463	1.5132		4.3777	3.2607	2.6353	2.6353	4.0133	4.0133	2.1506	2.1506	1.1000	1.1000
H7	2.0192	5.5655	6.7148	1.0904	3.2607	4.3777		7.5700	6.8833	6.8833	1.7828	1.7828	3.6042	3.6042	4.5113	4.5113
H8	5.5655	2.0192	1.0904	6.7148	4.3777	3.2607	7.5700		1.7828	1.7828	6.8833	6.8833	4.5113	4.5113	3.6042	3.6042
H9	4.8983	2.0769	1.0992	6.1906	4.0133	2.6353	6.8833	1.7828		1.7846	6.3740	6.6192	4.1817	4.5452	2.4368	3.0184
H10	4.8983	2.0769	1.0992	6.1906	4.0133	2.6353	6.8833	1.7828	1.7846		6.6192	6.3740	4.5452	4.1817	3.0184	2.4368
H11	2.0769	4.8983	6.1906	1.0992	2.6353	4.0133	1.7828	6.8833	6.3740	6.6192		1.7846	2.4368	3.0184	4.1817	4.5452
H12	2.0769	4.8983	6.1906	1.0992	2.6353	4.0133	1.7828	6.8833	6.6192	6.3740	1.7846		3.0184	2.4368	4.5452	4.1817
H13	2.0729	2.6063	3.9292	2.6223	1.1000	2.1506	3.6042	4.5113	4.1817	4.5452	2.4368	3.0184		1.7777	2.4940	3.0627
H14	2.0729	2.6063	3.9292	2.6223	1.1000	2.1506	3.6042	4.5113	4.5452	4.1817	3.0184	2.4368	1.7777		3.0627	2.4940
H15	2.6063	2.0729	2.6223	3.9292	2.1506	1.1000	4.5113	3.6042	2.4368	3.0184	4.1817	4.5452	2.4940	3.0627		1.7777
H16	2.6063	2.0729	2.6223	3.9292	2.1506	1.1000	4.5113	3.6042	3.0184	2.4368	4.5452	4.1817	3.0627	2.4940	1.7777

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H7	107.327	O1	C4	H11	111.442
O1	C4	H12	111.442	O1	C5	C6	107.674
O1	C5	H13	110.930	O1	C5	H14	110.930
O2	C3	H8	107.327	O2	C3	H9	111.442
O2	C3	H10	111.442	O2	C6	C5	107.674
O2	C6	H15	110.930	O2	C6	H16	110.930
C3	O2	C6	112.561	C4	O1	C5	112.561
C5	C6	H15	109.750	C5	C6	H16	109.750
C6	C5	H13	109.750	C6	C5	H14	109.750
H7	C4	H11	109.019	H7	C4	H12	109.019
H8	C3	H9	109.019	H8	C3	H10	109.019
H9	C3	H10	108.537	H11	C4	H12	108.537
H13	C5	H14	107.807	H15	C6	H16	107.807

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

using model chemistry: B1B95/6-31+G**

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	-0.340
2	O	-0.340
3	C	-0.223
4	C	-0.223
5	C	-0.153
6	C	-0.153
7	H	0.156
8	H	0.156
9	H	0.136
10	H	0.136
11	H	0.136
12	H	0.136
13	H	0.145
14	H	0.145
15	H	0.145
16	H	0.145

	x	y	z
x	7.811	-0.181	0.000
y	-0.181	10.487	0.000
z	0.000	0.000	7.534

<r²>	268.623
(<r²>)^1/2	16.390

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

using model chemistry: B1B95/6-31+G**

States and conformations

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