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	hartrees
Energy at 0K	-308.476664
Energy at 298.15K	-308.488207
Nuclear repulsion energy	251.432174

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3067	3025	0.00
2	A_g	2909	2869	0.00
3	A_g	2896	2856	0.00
4	A_g	1495	1475	0.00
5	A_g	1467	1447	0.00
6	A_g	1442	1422	0.00
7	A_g	1402	1382	0.00
8	A_g	1203	1186	0.00
9	A_g	1143	1128	0.00
10	A_g	1059	1045	0.00
11	A_g	1000	986	0.00
12	A_g	390	384	0.00
13	A_g	325	321	0.00
14	A_u	2954	2913	5.80
15	A_u	2948	2908	250.88
16	A_u	1445	1425	11.34
17	A_u	1197	1181	10.26
18	A_u	1142	1126	1.25
19	A_u	817	805	0.11
20	A_u	248	245	6.61
21	A_u	98	97	7.32
22	A_u	69	68	2.62
23	B_g	2952	2911	0.00
24	B_g	2924	2884	0.00
25	B_g	1445	1425	0.00
26	B_g	1253	1235	0.00
27	B_g	1162	1146	0.00
28	B_g	1120	1105	0.00
29	B_g	236	233	0.00
30	B_g	128	126	0.00
31	B_u	3067	3025	57.99
32	B_u	2911	2871	152.10
33	B_u	2898	2858	86.33
34	B_u	1502	1481	1.43
35	B_u	1469	1449	25.05
36	B_u	1436	1416	5.20
37	B_u	1317	1299	27.91
38	B_u	1181	1165	149.22
39	B_u	1144	1129	211.53
40	B_u	954	941	56.49
41	B_u	493	486	3.60
42	B_u	143	141	3.42

Atom	x (Å)	y (Å)	z (Å)
O1	0.434	1.748	0.000
O2	-0.434	-1.748	0.000
C3	0.285	-2.969	0.000
C4	-0.285	2.969	0.000
C5	-0.434	0.626	0.000
C6	0.434	-0.626	0.000
H7	0.456	3.783	0.000
H8	-0.456	-3.783	0.000
H9	0.930	-3.072	0.898
H10	0.930	-3.072	-0.898
H11	-0.930	3.072	0.898
H12	-0.930	3.072	-0.898
H13	-1.094	0.623	0.895
H14	-1.094	0.623	-0.895
H15	1.094	-0.623	0.895
H16	1.094	-0.623	-0.895

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		3.6032	4.7197	1.4164	1.4191	2.3748	2.0345	5.6025	4.9279	4.9279	2.1020	2.1020	2.0981	2.0981	2.6195	2.6195
O2	3.6032		1.4164	4.7197	2.3748	1.4191	5.6025	2.0345	2.1020	2.1020	4.9279	4.9279	2.6195	2.6195	2.0981	2.0981
C3	4.7197	1.4164		5.9649	3.6663	2.3473	6.7538	1.1005	1.1107	1.1107	6.2264	6.2264	3.9503	3.9503	2.6376	2.6376
C4	1.4164	4.7197	5.9649		2.3473	3.6663	1.1005	6.7538	6.2264	6.2264	1.1107	1.1107	2.6376	2.6376	3.9503	3.9503
C5	1.4191	2.3748	3.6663	2.3473		1.5243	3.2797	4.4092	4.0425	4.0425	2.6517	2.6517	1.1117	1.1117	2.1674	2.1674
C6	2.3748	1.4191	2.3473	3.6663	1.5243		4.4092	3.2797	2.6517	2.6517	4.0425	4.0425	2.1674	2.1674	1.1117	1.1117
H7	2.0345	5.6025	6.7538	1.1005	3.2797	4.4092		7.6204	6.9292	6.9292	1.7982	1.7982	3.6311	3.6311	4.5412	4.5412
H8	5.6025	2.0345	1.1005	6.7538	4.4092	3.2797	7.6204		1.7982	1.7982	6.9292	6.9292	4.5412	4.5412	3.6311	3.6311
H9	4.9279	2.1020	1.1107	6.2264	4.0425	2.6517	6.9292	1.7982		1.7962	6.4185	6.6651	4.2129	4.5786	2.4536	3.0390
H10	4.9279	2.1020	1.1107	6.2264	4.0425	2.6517	6.9292	1.7982	1.7962		6.6651	6.4185	4.5786	4.2129	3.0390	2.4536
H11	2.1020	4.9279	6.2264	1.1107	2.6517	4.0425	1.7982	6.9292	6.4185	6.6651		1.7962	2.4536	3.0390	4.2129	4.5786
H12	2.1020	4.9279	6.2264	1.1107	2.6517	4.0425	1.7982	6.9292	6.6651	6.4185	1.7962		3.0390	2.4536	4.5786	4.2129
H13	2.0981	2.6195	3.9503	2.6376	1.1117	2.1674	3.6311	4.5412	4.2129	4.5786	2.4536	3.0390		1.7900	2.5179	3.0893
H14	2.0981	2.6195	3.9503	2.6376	1.1117	2.1674	3.6311	4.5412	4.5786	4.2129	3.0390	2.4536	1.7900		3.0893	2.5179
H15	2.6195	2.0981	2.6376	3.9503	2.1674	1.1117	4.5412	3.6311	2.4536	3.0390	4.2129	4.5786	2.5179	3.0893		1.7900
H16	2.6195	2.0981	2.6376	3.9503	2.1674	1.1117	4.5412	3.6311	3.0390	2.4536	4.5786	4.2129	3.0893	2.5179	1.7900

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H7	107.194	O1	C4	H11	112.001
O1	C4	H12	112.001	O1	C5	C6	107.516
O1	C5	H13	111.417	O1	C5	H14	111.417
O2	C3	H8	107.194	O2	C3	H9	112.001
O2	C3	H10	112.001	O2	C6	C5	107.516
O2	C6	H15	111.417	O2	C6	H16	111.417
C3	O2	C6	111.750	C4	O1	C5	111.750
C5	C6	H15	109.627	C5	C6	H16	109.627
C6	C5	H13	109.627	C6	C5	H14	109.627
H7	C4	H11	108.822	H7	C4	H12	108.822
H8	C3	H9	108.822	H8	C3	H10	108.822
H9	C3	H10	107.922	H11	C4	H12	107.922
H13	C5	H14	107.235	H15	C6	H16	107.235

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

using model chemistry: PBEPBE/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	-0.440
2	O	-0.440
3	C	-0.121
4	C	-0.121
5	C	0.009
6	C	0.009
7	H	0.129
8	H	0.129
9	H	0.106
10	H	0.106
11	H	0.106
12	H	0.106
13	H	0.106
14	H	0.106
15	H	0.106
16	H	0.106

	x	y	z
x	7.086	-0.208	0.000
y	-0.208	10.400	0.000
z	0.000	0.000	6.988

<r²>	271.321
(<r²>)^1/2	16.472

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

using model chemistry: PBEPBE/6-31G**

States and conformations

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