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	hartrees
Energy at 0K	-308.665784
Energy at 298.15K	-308.677335
HF Energy	-308.665784
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3080	3020	0.00
2	A_g	2928	2870	0.00
3	A_g	2913	2856	0.00
4	A_g	1529	1499	0.00
5	A_g	1503	1474	0.00
6	A_g	1477	1448	0.00
7	A_g	1432	1404	0.00
8	A_g	1222	1198	0.00
9	A_g	1135	1113	0.00
10	A_g	1065	1044	0.00
11	A_g	997	977	0.00
12	A_g	390	383	0.00
13	A_g	330	324	0.00
14	A_u	2969	2911	38.82
15	A_u	2965	2906	276.55
16	A_u	1483	1454	8.81
17	A_u	1224	1200	11.04
18	A_u	1164	1142	2.07
19	A_u	830	814	0.40
20	A_u	249	244	7.85
21	A_u	100	98	6.79
22	A_u	64	63	3.22
23	B_g	2965	2907	0.00
24	B_g	2941	2883	0.00
25	B_g	1483	1454	0.00
26	B_g	1284	1258	0.00
27	B_g	1183	1159	0.00
28	B_g	1141	1118	0.00
29	B_g	234	230	0.00
30	B_g	121	119	0.00
31	B_u	3080	3019	80.63
32	B_u	2929	2872	178.14
33	B_u	2914	2857	94.90
34	B_u	1537	1506	1.20
35	B_u	1505	1475	22.47
36	B_u	1472	1443	9.65
37	B_u	1351	1324	37.12
38	B_u	1200	1176	74.50
39	B_u	1139	1116	324.05
40	B_u	946	928	60.08
41	B_u	503	493	3.64
42	B_u	145	142	3.48

Atom	x (Å)	y (Å)	z (Å)
O1	0.435	1.749	0.000
O2	-0.435	-1.749	0.000
C3	0.279	-2.973	0.000
C4	-0.279	2.973	0.000
C5	-0.435	0.627	0.000
C6	0.435	-0.627	0.000
H7	0.466	3.779	0.000
H8	-0.466	-3.779	0.000
H9	0.921	-3.074	0.897
H10	0.921	-3.074	-0.897
H11	-0.921	3.074	0.897
H12	-0.921	3.074	-0.897
H13	-1.089	0.628	0.893
H14	-1.089	0.628	-0.893
H15	1.089	-0.628	0.893
H16	1.089	-0.628	-0.893

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		3.6051	4.7253	1.4168	1.4197	2.3762	2.0300	5.6014	4.9302	4.9302	2.0967	2.0967	2.0926	2.0926	2.6222	2.6222
O2	3.6051		1.4168	4.7253	2.3762	1.4197	5.6014	2.0300	2.0967	2.0967	4.9302	4.9302	2.6222	2.6222	2.0926	2.0926
C3	4.7253	1.4168		5.9729	3.6703	2.3517	6.7551	1.0975	1.1074	1.1074	6.2303	6.2303	3.9543	3.9543	2.6377	2.6377
C4	1.4168	4.7253	5.9729		2.3517	3.6703	1.0975	6.7551	6.2303	6.2303	1.1074	1.1074	2.6377	2.6377	3.9543	3.9543
C5	1.4197	2.3762	3.6703	2.3517		1.5256	3.2784	4.4061	4.0421	4.0421	2.6514	2.6514	1.1074	1.1074	2.1665	2.1665
C6	2.3762	1.4197	2.3517	3.6703	1.5256		4.4061	3.2784	2.6514	2.6514	4.0421	4.0421	2.1665	2.1665	1.1074	1.1074
H7	2.0300	5.6014	6.7551	1.0975	3.2784	4.4061		7.6155	6.9266	6.9266	1.7958	1.7958	3.6263	3.6263	4.5392	4.5392
H8	5.6014	2.0300	1.0975	6.7551	4.4061	3.2784	7.6155		1.7958	1.7958	6.9266	6.9266	4.5392	4.5392	3.6263	3.6263
H9	4.9302	2.0967	1.1074	6.2303	4.0421	2.6514	6.9266	1.7958		1.7937	6.4181	6.6641	4.2123	4.5768	2.4525	3.0362
H10	4.9302	2.0967	1.1074	6.2303	4.0421	2.6514	6.9266	1.7958	1.7937		6.6641	6.4181	4.5768	4.2123	3.0362	2.4525
H11	2.0967	4.9302	6.2303	1.1074	2.6514	4.0421	1.7958	6.9266	6.4181	6.6641		1.7937	2.4525	3.0362	4.2123	4.5768
H12	2.0967	4.9302	6.2303	1.1074	2.6514	4.0421	1.7958	6.9266	6.6641	6.4181	1.7937		3.0362	2.4525	4.5768	4.2123
H13	2.0926	2.6222	3.9543	2.6377	1.1074	2.1665	3.6263	4.5392	4.2123	4.5768	2.4525	3.0362		1.7861	2.5145	3.0843
H14	2.0926	2.6222	3.9543	2.6377	1.1074	2.1665	3.6263	4.5392	4.5768	4.2123	3.0362	2.4525	1.7861		3.0843	2.5145
H15	2.6222	2.0926	2.6377	3.9543	2.1665	1.1074	4.5392	3.6263	2.4525	3.0362	4.2123	4.5768	2.5145	3.0843		1.7861
H16	2.6222	2.0926	2.6377	3.9543	2.1665	1.1074	4.5392	3.6263	3.0362	2.4525	4.5768	4.2123	3.0843	2.5145	1.7861

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H7	107.167	O1	C4	H11	111.713
O1	C4	H12	111.713	O1	C5	C6	107.986
O1	C5	H13	111.028	O1	C5	H14	111.028
O2	C3	H8	107.167	O2	C3	H9	111.713
O2	C3	H10	111.713	O2	C6	C5	107.986
O2	C6	H15	111.028	O2	C6	H16	111.028
C3	O2	C6	112.403	C4	O1	C5	112.403
C5	C6	H15	109.694	C5	C6	H16	109.694
C6	C5	H13	109.694	C6	C5	H14	109.694
H7	C4	H11	109.004	H7	C4	H12	109.004
H8	C3	H9	109.004	H8	C3	H10	109.004
H9	C3	H10	108.182	H11	C4	H12	108.182
H13	C5	H14	107.409	H15	C6	H16	107.409

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

using model chemistry: B97D3/6-31G*

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	-0.450
2	O	-0.450
3	C	-0.207
4	C	-0.207
5	C	-0.040
6	C	-0.040
7	H	0.162
8	H	0.162
9	H	0.134
10	H	0.134
11	H	0.134
12	H	0.134
13	H	0.134
14	H	0.134
15	H	0.134
16	H	0.134

	x	y	z
x	6.944	-0.177	0.000
y	-0.177	10.107	0.000
z	0.000	0.000	6.852

<r²>	271.484
(<r²>)^1/2	16.477

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

using model chemistry: B97D3/6-31G*

States and conformations

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