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	hartrees
Energy at 0K	-303.127804
Energy at 298.15K	-303.139519
Nuclear repulsion energy	250.043185

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3717	3035	0.00
2	A_g	3550	2899	0.00
3	A_g	3517	2872	0.00
4	A_g	1830	1494	0.00
5	A_g	1825	1490	0.00
6	A_g	1766	1442	0.00
7	A_g	1729	1412	0.00
8	A_g	1456	1188	0.00
9	A_g	1387	1132	0.00
10	A_g	1237	1010	0.00
11	A_g	1197	977	0.00
12	A_g	423	345	0.00
13	A_g	400	327	0.00
14	A_u	3682	3006	14.06
15	A_u	3671	2997	17.18
16	A_u	1807	1475	5.58
17	A_u	1406	1148	20.07
18	A_u	1314	1073	8.37
19	A_u	945	771	0.52
20	A_u	255	209	6.35
21	A_u	99	81	11.15
22	A_u	70	57	0.07
23	B_g	3682	3006	0.00
24	B_g	3658	2987	0.00
25	B_g	1807	1475	0.00
26	B_g	1517	1238	0.00
27	B_g	1322	1079	0.00
28	B_g	1286	1050	0.00
29	B_g	244	199	0.00
30	B_g	144	118	0.00
31	B_u	3717	3035	2.53
32	B_u	3552	2900	11.39
33	B_u	3517	2872	15.27
34	B_u	1841	1504	2.91
35	B_u	1825	1490	8.95
36	B_u	1759	1436	29.37
37	B_u	1586	1295	92.98
38	B_u	1445	1180	32.91
39	B_u	1369	1118	1.36
40	B_u	1148	937	6.97
41	B_u	595	486	1.78
42	B_u	162	132	3.23

Atom	x (Å)	y (Å)	z (Å)
O1	0.439	1.774	0.000
O2	-0.439	-1.774	0.000
C3	0.334	-2.980	0.000
C4	-0.334	2.980	0.000
C5	-0.439	0.638	0.000
C6	0.439	-0.638	0.000
H7	0.366	3.817	0.000
H8	-0.366	-3.817	0.000
H9	0.971	-3.060	0.887
H10	0.971	-3.060	-0.887
H11	-0.971	3.060	0.887
H12	-0.971	3.060	-0.887
H13	-1.087	0.633	0.885
H14	-1.087	0.633	-0.885
H15	1.087	-0.633	0.885
H16	1.087	-0.633	-0.885

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		3.6546	4.7551	1.4330	1.4357	2.4118	2.0449	5.6488	4.9429	4.9429	2.1047	2.1047	2.1007	2.1007	2.6449	2.6449
O2	3.6546		1.4330	4.7551	2.4118	1.4357	5.6488	2.0449	2.1047	2.1047	4.9429	4.9429	2.6449	2.6449	2.1007	2.1007
C3	4.7551	1.4330		5.9977	3.6999	2.3444	6.7976	1.0915	1.0949	1.0949	6.2427	6.2427	3.9823	3.9823	2.6187	2.6187
C4	1.4330	4.7551	5.9977		2.3444	3.6999	1.0915	6.7976	6.2427	6.2427	1.0949	1.0949	2.6187	2.6187	3.9823	3.9823
C5	1.4357	2.4118	3.6999	2.3444		1.5492	3.2797	4.4561	4.0559	4.0559	2.6333	2.6333	1.0965	1.0965	2.1744	2.1744
C6	2.4118	1.4357	2.3444	3.6999	1.5492		4.4561	3.2797	2.6333	2.6333	4.0559	4.0559	2.1744	2.1744	1.0965	1.0965
H7	2.0449	5.6488	6.7976	1.0915	3.2797	4.4561		7.6698	6.9605	6.9605	1.7747	1.7747	3.6102	3.6102	4.5946	4.5946
H8	5.6488	2.0449	1.0915	6.7976	4.4561	3.2797	7.6698		1.7747	1.7747	6.9605	6.9605	4.5946	4.5946	3.6102	3.6102
H9	4.9429	2.1047	1.0949	6.2427	4.0559	2.6333	6.9605	1.7747		1.7734	6.4206	6.6610	4.2279	4.5840	2.4294	3.0066
H10	4.9429	2.1047	1.0949	6.2427	4.0559	2.6333	6.9605	1.7747	1.7734		6.6610	6.4206	4.5840	4.2279	3.0066	2.4294
H11	2.1047	4.9429	6.2427	1.0949	2.6333	4.0559	1.7747	6.9605	6.4206	6.6610		1.7734	2.4294	3.0066	4.2279	4.5840
H12	2.1047	4.9429	6.2427	1.0949	2.6333	4.0559	1.7747	6.9605	6.6610	6.4206	1.7734		3.0066	2.4294	4.5840	4.2279
H13	2.1007	2.6449	3.9823	2.6187	1.0965	2.1744	3.6102	4.5946	4.2279	4.5840	2.4294	3.0066		1.7693	2.5160	3.0759
H14	2.1007	2.6449	3.9823	2.6187	1.0965	2.1744	3.6102	4.5946	4.5840	4.2279	3.0066	2.4294	1.7693		3.0759	2.5160
H15	2.6449	2.1007	2.6187	3.9823	2.1744	1.0965	4.5946	3.6102	2.4294	3.0066	4.2279	4.5840	2.5160	3.0759		1.7693
H16	2.6449	2.1007	2.6187	3.9823	2.1744	1.0965	4.5946	3.6102	3.0066	2.4294	4.5840	4.2279	3.0759	2.5160	1.7693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H7	107.430	O1	C4	H11	112.046
O1	C4	H12	112.046	O1	C5	C6	107.740
O1	C5	H13	111.406	O1	C5	H14	111.406
O2	C3	H8	107.430	O2	C3	H9	112.046
O2	C3	H10	112.046	O2	C6	C5	107.740
O2	C6	H15	111.406	O2	C6	H16	111.406
C3	O2	C6	109.622	C4	O1	C5	109.622
C5	C6	H15	109.350	C5	C6	H16	109.350
C6	C5	H13	109.350	C6	C5	H14	109.350
H7	C4	H11	108.523	H7	C4	H12	108.523
H8	C3	H9	108.523	H8	C3	H10	108.523
H9	C3	H10	108.164	H11	C4	H12	108.164
H13	C5	H14	107.567	H15	C6	H16	107.567

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

using model chemistry: HF/STO-3G

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	-0.244
2	O	-0.244
3	C	-0.065
4	C	-0.065
5	C	0.009
6	C	0.009
7	H	0.071
8	H	0.071
9	H	0.057
10	H	0.057
11	H	0.057
12	H	0.057
13	H	0.057
14	H	0.057
15	H	0.057
16	H	0.057

	x	y	z
x	3.341	-0.051	0.000
y	-0.051	5.803	0.000
z	0.000	0.000	3.170

<r²>	273.346
(<r²>)^1/2	16.533

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

using model chemistry: HF/STO-3G

States and conformations

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