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	hartrees
Energy at 0K	-305.282033
Energy at 298.15K	-305.293868
Nuclear repulsion energy	250.842567

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3290	2979	0.00
2	A_g	3203	2900	0.00
3	A_g	3175	2875	0.00
4	A_g	1706	1545	0.00
5	A_g	1690	1531	0.00
6	A_g	1639	1484	0.00
7	A_g	1567	1419	0.00
8	A_g	1328	1203	0.00
9	A_g	1229	1113	0.00
10	A_g	1139	1031	0.00
11	A_g	1044	946	0.00
12	A_g	404	366	0.00
13	A_g	336	304	0.00
14	A_u	3257	2949	116.63
15	A_u	3217	2913	121.52
16	A_u	1675	1517	12.40
17	A_u	1343	1216	14.41
18	A_u	1269	1149	3.09
19	A_u	934	846	0.34
20	A_u	244	221	18.70
21	A_u	128	116	13.47
22	A_u	69	63	6.46
23	B_g	3227	2922	0.00
24	B_g	3217	2913	0.00
25	B_g	1675	1517	0.00
26	B_g	1442	1306	0.00
27	B_g	1282	1161	0.00
28	B_g	1246	1128	0.00
29	B_g	225	204	0.00
30	B_g	125	113	0.00
31	B_u	3290	2979	72.51
32	B_u	3207	2904	69.97
33	B_u	3174	2874	80.75
34	B_u	1714	1552	3.43
35	B_u	1693	1533	19.54
36	B_u	1632	1478	10.73
37	B_u	1500	1359	39.04
38	B_u	1313	1189	130.90
39	B_u	1233	1117	254.35
40	B_u	983	891	48.16
41	B_u	511	462	10.12
42	B_u	144	130	7.99

Atom	x (Å)	y (Å)	z (Å)
O1	1.379	1.152	0.000
O2	-1.379	-1.152	0.000
C3	-1.602	-2.567	0.000
C4	1.602	2.567	0.000
C5	0.000	0.758	0.000
C6	0.000	-0.758	0.000
H7	2.671	2.715	0.000
H8	-2.671	-2.715	0.000
H9	-1.175	-3.035	0.882
H10	-1.175	-3.035	-0.882
H11	1.175	3.035	0.882
H12	1.175	3.035	-0.882
H13	-0.517	1.123	0.880
H14	-0.517	1.123	-0.880
H15	0.517	-1.123	0.880
H16	0.517	-1.123	-0.880

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		3.5929	4.7658	1.4328	1.4338	2.3554	2.0286	5.5995	4.9828	4.9828	2.0895	2.0895	2.0900	2.0900	2.5866	2.5866
O2	3.5929		1.4328	4.7658	2.3554	1.4338	5.5995	2.0286	2.0895	2.0895	4.9828	4.9828	2.5866	2.5866	2.0900	2.0900
C3	4.7658	1.4328		6.0516	3.6908	2.4163	6.7942	1.0793	1.0856	1.0856	6.3144	6.3144	3.9454	3.9454	2.7109	2.7109
C4	1.4328	4.7658	6.0516		2.4163	3.6908	1.0793	6.7942	6.3144	6.3144	1.0856	1.0856	2.7109	2.7109	3.9454	3.9454
C5	1.4338	2.3554	3.6908	2.4163		1.5161	3.3114	4.3817	4.0676	4.0676	2.7098	2.7098	1.0836	1.0836	2.1398	2.1398
C6	2.3554	1.4338	2.4163	3.6908	1.5161		4.3817	3.3114	2.7098	2.7098	4.0676	4.0676	2.1398	2.1398	1.0836	1.0836
H7	2.0286	5.5995	6.7942	1.0793	3.3114	4.3817		7.6177	6.9741	6.9741	1.7655	1.7655	3.6705	3.6705	4.4885	4.4885
H8	5.5995	2.0286	1.0793	6.7942	4.3817	3.3114	7.6177		1.7655	1.7655	6.9741	6.9741	4.4885	4.4885	3.6705	3.6705
H9	4.9828	2.0895	1.0856	6.3144	4.0676	2.7098	6.9741	1.7655		1.7633	6.5092	6.7438	4.2097	4.5633	2.5533	3.1019
H10	4.9828	2.0895	1.0856	6.3144	4.0676	2.7098	6.9741	1.7655	1.7633		6.7438	6.5092	4.5633	4.2097	3.1019	2.5533
H11	2.0895	4.9828	6.3144	1.0856	2.7098	4.0676	1.7655	6.9741	6.5092	6.7438		1.7633	2.5533	3.1019	4.2097	4.5633
H12	2.0895	4.9828	6.3144	1.0856	2.7098	4.0676	1.7655	6.9741	6.7438	6.5092	1.7633		3.1019	2.5533	4.5633	4.2097
H13	2.0900	2.5866	3.9454	2.7109	1.0836	2.1398	3.6705	4.4885	4.2097	4.5633	2.5533	3.1019		1.7597	2.4721	3.0344
H14	2.0900	2.5866	3.9454	2.7109	1.0836	2.1398	3.6705	4.4885	4.5633	4.2097	3.1019	2.5533	1.7597		3.0344	2.4721
H15	2.5866	2.0900	2.7109	3.9454	2.1398	1.0836	4.4885	3.6705	2.5533	3.1019	4.2097	4.5633	2.4721	3.0344		1.7597
H16	2.5866	2.0900	2.7109	3.9454	2.1398	1.0836	4.4885	3.6705	3.1019	2.5533	4.5633	4.2097	3.0344	2.4721	1.7597

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H7	106.864	O1	C4	H11	111.387
O1	C4	H12	111.387	O1	C5	C6	105.936
O1	C5	H13	111.480	O1	C5	H14	111.480
O2	C3	H8	106.864	O2	C3	H9	111.387
O2	C3	H10	111.387	O2	C6	C5	105.936
O2	C6	H15	111.480	O2	C6	H16	111.480
C3	O2	C6	114.895	C4	O1	C5	114.895
C5	C6	H15	109.671	C5	C6	H16	109.671
C6	C5	H13	109.671	C6	C5	H14	109.671
H7	C4	H11	109.276	H7	C4	H12	109.276
H8	C3	H9	109.276	H8	C3	H10	109.276
H9	C3	H10	108.609	H11	C4	H12	108.609
H13	C5	H14	108.568	H15	C6	H16	108.568

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

using model chemistry: HF/3-21G

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	CHELPG	ESP
1	O	-0.661	-0.494	-0.493
2	O	-0.661	-0.494	-0.488
3	C	-0.249	0.194	0.039
4	C	-0.249	0.194	0.033
5	C	-0.071	0.241	0.192
6	C	-0.071	0.241	0.153
7	H	0.215	0.036	0.084
8	H	0.215	0.036	0.082
9	H	0.181	0.001	0.055
10	H	0.181	0.001	0.055
11	H	0.181	0.001	0.055
12	H	0.181	0.001	0.055
13	H	0.202	0.010	0.041
14	H	0.202	0.010	0.041
15	H	0.202	0.010	0.048
16	H	0.202	0.010	0.048

	x	y	z
x	6.867	1.296	0.000
y	1.296	7.671	0.000
z	0.000	0.000	5.880

<r²>	274.423
(<r²>)^1/2	16.566

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

using model chemistry: HF/3-21G

States and conformations

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