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	hartrees
Energy at 0K	-306.899155
Energy at 298.15K	-306.910875
Nuclear repulsion energy	250.362356

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3341	3007	0.00
2	A_g	3218	2896	0.00
3	A_g	3190	2871	0.00
4	A_g	1674	1507	0.00
5	A_g	1652	1487	0.00
6	A_g	1621	1459	0.00
7	A_g	1579	1420	0.00
8	A_g	1333	1200	0.00
9	A_g	1257	1132	0.00
10	A_g	1169	1052	0.00
11	A_g	1054	948	0.00
12	A_g	408	367	0.00
13	A_g	332	299	0.00
14	A_u	3285	2956	175.41
15	A_u	3261	2934	153.53
16	A_u	1647	1482	19.83
17	A_u	1337	1203	22.19
18	A_u	1264	1138	3.90
19	A_u	921	829	0.15
20	A_u	224	202	22.96
21	A_u	114	103	15.51
22	A_u	69	62	8.38
23	B_g	3261	2935	0.00
24	B_g	3257	2931	0.00
25	B_g	1647	1482	0.00
26	B_g	1423	1281	0.00
27	B_g	1279	1151	0.00
28	B_g	1244	1119	0.00
29	B_g	203	183	0.00
30	B_g	115	103	0.00
31	B_u	3341	3007	102.56
32	B_u	3219	2897	137.63
33	B_u	3189	2870	147.65
34	B_u	1679	1511	8.23
35	B_u	1652	1486	21.59
36	B_u	1613	1451	2.67
37	B_u	1501	1351	27.65
38	B_u	1318	1186	154.84
39	B_u	1236	1112	307.83
40	B_u	983	885	68.93
41	B_u	514	463	8.52
42	B_u	151	136	8.69

Atom	x (Å)	y (Å)	z (Å)
O1	1.371	1.174	0.000
O2	-1.371	-1.174	0.000
C3	-1.605	-2.586	0.000
C4	1.605	2.586	0.000
C5	0.000	0.757	0.000
C6	0.000	-0.757	0.000
H7	2.674	2.727	0.000
H8	-2.674	-2.727	0.000
H9	-1.179	-3.050	0.885
H10	-1.179	-3.050	-0.885
H11	1.179	3.050	0.885
H12	1.179	3.050	-0.885
H13	-0.512	1.131	0.881
H14	-0.512	1.131	-0.881
H15	0.512	-1.131	0.881
H16	0.512	-1.131	-0.881

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		3.6107	4.7951	1.4304	1.4332	2.3689	2.0262	5.6194	5.0133	5.0133	2.0828	2.0828	2.0792	2.0792	2.6133	2.6133
O2	3.6107		1.4304	4.7951	2.3689	1.4332	5.6194	2.0262	2.0828	2.0828	5.0133	5.0133	2.6133	2.6133	2.0792	2.0792
C3	4.7951	1.4304		6.0861	3.7081	2.4325	6.8207	1.0783	1.0862	1.0862	6.3477	6.3477	3.9729	3.9729	2.7148	2.7148
C4	1.4304	4.7951	6.0861		2.4325	3.7081	1.0783	6.8207	6.3477	6.3477	1.0862	1.0862	2.7148	2.7148	3.9729	3.9729
C5	1.4332	2.3689	3.7081	2.4325		1.5147	3.3205	4.3916	4.0829	4.0829	2.7258	2.7258	1.0849	1.0849	2.1456	2.1456
C6	2.3689	1.4332	2.4325	3.7081	1.5147		4.3916	3.3205	2.7258	2.7258	4.0829	4.0829	2.1456	2.1456	1.0849	1.0849
H7	2.0262	5.6194	6.8207	1.0783	3.3205	4.3916		7.6374	6.9997	6.9997	1.7668	1.7668	3.6699	3.6699	4.5089	4.5089
H8	5.6194	2.0262	1.0783	6.8207	4.3916	3.3205	7.6374		1.7668	1.7668	6.9997	6.9997	4.5089	4.5089	3.6699	3.6699
H9	5.0133	2.0828	1.0862	6.3477	4.0829	2.7258	6.9997	1.7668		1.7697	6.5402	6.7754	4.2341	4.5874	2.5577	3.1078
H10	5.0133	2.0828	1.0862	6.3477	4.0829	2.7258	6.9997	1.7668	1.7697		6.7754	6.5402	4.5874	4.2341	3.1078	2.5577
H11	2.0828	5.0133	6.3477	1.0862	2.7258	4.0829	1.7668	6.9997	6.5402	6.7754		1.7697	2.5577	3.1078	4.2341	4.5874
H12	2.0828	5.0133	6.3477	1.0862	2.7258	4.0829	1.7668	6.9997	6.7754	6.5402	1.7697		3.1078	2.5577	4.5874	4.2341
H13	2.0792	2.6133	3.9729	2.7148	1.0849	2.1456	3.6699	4.5089	4.2341	4.5874	2.5577	3.1078		1.7612	2.4830	3.0442
H14	2.0792	2.6133	3.9729	2.7148	1.0849	2.1456	3.6699	4.5089	4.5874	4.2341	3.1078	2.5577	1.7612		3.0442	2.4830
H15	2.6133	2.0792	2.7148	3.9729	2.1456	1.0849	4.5089	3.6699	2.5577	3.1078	4.2341	4.5874	2.4830	3.0442		1.7612
H16	2.6133	2.0792	2.7148	3.9729	2.1456	1.0849	4.5089	3.6699	3.1078	2.5577	4.5874	4.2341	3.0442	2.4830	1.7612

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H7	106.901	O1	C4	H11	110.978
O1	C4	H12	110.978	O1	C5	C6	106.920
O1	C5	H13	110.554	O1	C5	H14	110.554
O2	C3	H8	106.901	O2	C3	H9	110.978
O2	C3	H10	110.978	O2	C6	C5	106.920
O2	C6	H15	110.554	O2	C6	H16	110.554
C3	O2	C6	116.311	C4	O1	C5	116.311
C5	C6	H15	110.151	C5	C6	H16	110.151
C6	C5	H13	110.151	C6	C5	H14	110.151
H7	C4	H11	109.423	H7	C4	H12	109.423
H8	C3	H9	109.423	H8	C3	H10	109.423
H9	C3	H10	109.100	H11	C4	H12	109.100
H13	C5	H14	108.512	H15	C6	H16	108.512

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

using model chemistry: HF/LANL2DZ

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	-0.513
2	O	-0.513
3	C	-0.287
4	C	-0.287
5	C	-0.067
6	C	-0.067
7	H	0.197
8	H	0.197
9	H	0.169
10	H	0.169
11	H	0.169
12	H	0.169
13	H	0.166
14	H	0.166
15	H	0.166
16	H	0.166

	x	y	z
x	6.959	1.196	0.000
y	1.196	7.635	0.000
z	0.000	0.000	5.866

<r²>	276.841
(<r²>)^1/2	16.639

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

using model chemistry: HF/LANL2DZ

States and conformations

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