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	hartrees
Energy at 0K	-308.874132
Energy at 298.15K
HF Energy	-308.874132
Nuclear repulsion energy	253.839596

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3146	3008	0.00
2	A_g	2996	2864	0.00
3	A_g	2987	2856	0.00
4	A_g	1528	1461	0.00
5	A_g	1502	1436	0.00
6	A_g	1498	1432	0.00
7	A_g	1464	1400	0.00
8	A_g	1259	1203	0.00
9	A_g	1202	1149	0.00
10	A_g	1100	1051	0.00
11	A_g	1047	1001	0.00
12	A_g	406	388	0.00
13	A_g	345	330	0.00
14	A_u	3045	2911	0.58
15	A_u	3039	2905	226.56
16	A_u	1495	1430	14.88
17	A_u	1257	1201	12.46
18	A_u	1185	1133	4.36
19	A_u	839	802	0.48
20	A_u	225	215	10.78
21	A_u	80	76	0.03
22	A_u	48i	46i	6.97
23	B_g	3042	2908	0.00
24	B_g	3015	2883	0.00
25	B_g	1495	1430	0.00
26	B_g	1316	1258	0.00
27	B_g	1200	1147	0.00
28	B_g	1159	1108	0.00
29	B_g	198	189	0.00
30	B_g	120	115	0.00
31	B_u	3146	3007	57.47
32	B_u	2997	2865	150.58
33	B_u	2988	2857	75.77
34	B_u	1532	1464	5.04
35	B_u	1500	1434	19.75
36	B_u	1490	1425	4.38
37	B_u	1384	1323	24.43
38	B_u	1244	1189	208.50
39	B_u	1196	1143	198.29
40	B_u	995	951	63.89
41	B_u	518	496	3.97
42	B_u	155	148	3.46

Atom	x (Å)	y (Å)	z (Å)
O1	0.428	1.741	0.000
O2	-0.428	-1.741	0.000
C3	0.274	-2.959	0.000
C4	-0.274	2.959	0.000
C5	-0.428	0.624	0.000
C6	0.428	-0.624	0.000
H7	0.460	3.761	0.000
H8	-0.460	-3.761	0.000
H9	0.908	-3.051	0.890
H10	0.908	-3.051	-0.890
H11	-0.908	3.051	0.890
H12	-0.908	3.051	-0.890
H13	-1.074	0.631	0.886
H14	-1.074	0.631	-0.886
H15	1.074	-0.631	0.886
H16	1.074	-0.631	-0.886

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		3.5861	4.7025	1.4054	1.4071	2.3656	2.0205	5.5739	4.8976	4.8976	2.0714	2.0714	2.0675	2.0675	2.6136	2.6136
O2	3.5861		1.4054	4.7025	2.3656	1.4071	5.5739	2.0205	2.0714	2.0714	4.8976	4.8976	2.6136	2.6136	2.0675	2.0675
C3	4.7025	1.4054		5.9428	3.6512	2.3395	6.7228	1.0878	1.0961	1.0961	6.1891	6.1891	3.9358	3.9358	2.6161	2.6161
C4	1.4054	4.7025	5.9428		2.3395	3.6512	1.0878	6.7228	6.1891	6.1891	1.0961	1.0961	2.6161	2.6161	3.9358	3.9358
C5	1.4071	2.3656	3.6512	2.3395		1.5139	3.2603	4.3859	4.0104	4.0104	2.6287	2.6287	1.0969	1.0969	2.1490	2.1490
C6	2.3656	1.4071	2.3395	3.6512	1.5139		4.3859	3.2603	2.6287	2.6287	4.0104	4.0104	2.1490	2.1490	1.0969	1.0969
H7	2.0205	5.5739	6.7228	1.0878	3.2603	4.3859		7.5790	6.8848	6.8848	1.7795	1.7795	3.5971	3.5971	4.5229	4.5229
H8	5.5739	2.0205	1.0878	6.7228	4.3859	3.2603	7.5790		1.7795	1.7795	6.8848	6.8848	4.5229	4.5229	3.5971	3.5971
H9	4.8976	2.0714	1.0961	6.1891	4.0104	2.6287	6.8848	1.7795		1.7793	6.3662	6.6102	4.1816	4.5430	2.4257	3.0062
H10	4.8976	2.0714	1.0961	6.1891	4.0104	2.6287	6.8848	1.7795	1.7793		6.6102	6.3662	4.5430	4.1816	3.0062	2.4257
H11	2.0714	4.8976	6.1891	1.0961	2.6287	4.0104	1.7795	6.8848	6.3662	6.6102		1.7793	2.4257	3.0062	4.1816	4.5430
H12	2.0714	4.8976	6.1891	1.0961	2.6287	4.0104	1.7795	6.8848	6.6102	6.3662	1.7793		3.0062	2.4257	4.5430	4.1816
H13	2.0675	2.6136	3.9358	2.6161	1.0969	2.1490	3.5971	4.5229	4.1816	4.5430	2.4257	3.0062		1.7721	2.4921	3.0580
H14	2.0675	2.6136	3.9358	2.6161	1.0969	2.1490	3.5971	4.5229	4.5430	4.1816	3.0062	2.4257	1.7721		3.0580	2.4921
H15	2.6136	2.0675	2.6161	3.9358	2.1490	1.0969	4.5229	3.5971	2.4257	3.0062	4.1816	4.5430	2.4921	3.0580		1.7721
H16	2.6136	2.0675	2.6161	3.9358	2.1490	1.0969	4.5229	3.5971	3.0062	2.4257	4.5430	4.1816	3.0580	2.4921	1.7721

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H7	107.591	O1	C4	H11	111.200
O1	C4	H12	111.200	O1	C5	C6	108.111
O1	C5	H13	110.712	O1	C5	H14	110.712
O2	C3	H8	107.591	O2	C3	H9	111.200
O2	C3	H10	111.200	O2	C6	C5	108.111
O2	C6	H15	110.712	O2	C6	H16	110.712
C3	O2	C6	112.572	C4	O1	C5	112.572
C5	C6	H15	109.771	C5	C6	H16	109.771
C6	C5	H13	109.771	C6	C5	H14	109.771
H7	C4	H11	109.148	H7	C4	H12	109.148
H8	C3	H9	109.148	H8	C3	H10	109.148
H9	C3	H10	108.516	H11	C4	H12	108.516
H13	C5	H14	107.763	H15	C6	H16	107.763

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

using model chemistry: wB97X-D/cc-pVTZ

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	-0.289
2	O	-0.289
3	C	-0.055
4	C	-0.055
5	C	0.042
6	C	0.042
7	H	0.089
8	H	0.089
9	H	0.051
10	H	0.051
11	H	0.051
12	H	0.051
13	H	0.055
14	H	0.055
15	H	0.055
16	H	0.055

	x	y	z
x	7.837	-0.276	0.000
y	-0.276	10.853	0.000
z	0.000	0.000	7.610

<r²>	267.719
(<r²>)^1/2	16.362

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

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

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