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	hartrees
Energy at 0K	-308.810598
Energy at 298.15K
Nuclear repulsion energy	253.341351

Atom	x (Å)	y (Å)	z (Å)
O1	1.339	1.186	0.000
O2	-1.339	-1.186	0.000
C3	-1.456	-2.586	0.000
C4	1.456	2.586	0.000
C5	0.000	0.757	0.000
C6	0.000	-0.757	0.000
H7	2.521	2.822	0.000
H8	-2.521	-2.822	0.000
H9	-0.992	-3.032	0.892
H10	-0.992	-3.032	-0.892
H11	0.992	3.032	0.892
H12	0.992	3.032	-0.892
H13	-0.535	1.127	0.888
H14	-0.535	1.127	-0.888
H15	0.535	-1.127	0.888
H16	0.535	-1.127	-0.888

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		3.5786	4.6950	1.4040	1.4067	2.3599	2.0178	5.5651	4.9014	4.9014	2.0789	2.0789	2.0750	2.0750	2.6052	2.6052
O2	3.5786		1.4040	4.6950	2.3599	1.4067	5.5651	2.0178	2.0789	2.0789	4.9014	4.9014	2.6052	2.6052	2.0750	2.0750
C3	4.6950	1.4040		5.9348	3.6455	2.3379	6.7127	1.0908	1.1001	1.1001	6.1921	6.1921	3.9267	3.9267	2.6232	2.6232
C4	1.4040	4.6950	5.9348		2.3379	3.6455	1.0908	6.7127	6.1921	6.1921	1.1001	1.1001	2.6232	2.6232	3.9267	3.9267
C5	1.4067	2.3599	3.6455	2.3379		1.5131	3.2591	4.3775	4.0163	4.0163	2.6374	2.6374	1.1010	1.1010	2.1499	2.1499
C6	2.3599	1.4067	2.3379	3.6455	1.5131		4.3775	3.2591	2.6374	2.6374	4.0163	4.0163	2.1499	2.1499	1.1010	1.1010
H7	2.0178	5.5651	6.7127	1.0908	3.2591	4.3775		7.5683	6.8850	6.8850	1.7826	1.7826	3.6058	3.6058	4.5086	4.5086
H8	5.5651	2.0178	1.0908	6.7127	4.3775	3.2591	7.5683		1.7826	1.7826	6.8850	6.8850	4.5086	4.5086	3.6058	3.6058
H9	4.9014	2.0789	1.1001	6.1921	4.0163	2.6374	6.8850	1.7826		1.7838	6.3798	6.6245	4.1837	4.5466	2.4414	3.0214
H10	4.9014	2.0789	1.1001	6.1921	4.0163	2.6374	6.8850	1.7826	1.7838		6.6245	6.3798	4.5466	4.1837	3.0214	2.4414
H11	2.0789	4.9014	6.1921	1.1001	2.6374	4.0163	1.7826	6.8850	6.3798	6.6245		1.7838	2.4414	3.0214	4.1837	4.5466
H12	2.0789	4.9014	6.1921	1.1001	2.6374	4.0163	1.7826	6.8850	6.6245	6.3798	1.7838		3.0214	2.4414	4.5466	4.1837
H13	2.0750	2.6052	3.9267	2.6232	1.1010	2.1499	3.6058	4.5086	4.1837	4.5466	2.4414	3.0214		1.7762	2.4948	3.0625
H14	2.0750	2.6052	3.9267	2.6232	1.1010	2.1499	3.6058	4.5086	4.5466	4.1837	3.0214	2.4414	1.7762		3.0625	2.4948
H15	2.6052	2.0750	2.6232	3.9267	2.1499	1.1010	4.5086	3.6058	2.4414	3.0214	4.1837	4.5466	2.4948	3.0625		1.7762
H16	2.6052	2.0750	2.6232	3.9267	2.1499	1.1010	4.5086	3.6058	3.0214	2.4414	4.5466	4.1837	3.0625	2.4948	1.7762

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H7	107.300	O1	C4	H11	111.663
O1	C4	H12	111.663	O1	C5	C6	107.798
O1	C5	H13	111.095	O1	C5	H14	111.095
O2	C3	H8	107.300	O2	C3	H9	111.663
O2	C3	H10	111.663	O2	C6	C5	107.798
O2	C6	H15	111.095	O2	C6	H16	111.095
C3	O2	C6	112.568	C4	O1	C5	112.568
C5	C6	H15	109.653	C5	C6	H16	109.653
C6	C5	H13	109.653	C6	C5	H14	109.653
H7	C4	H11	108.907	H7	C4	H12	108.907
H8	C3	H9	108.907	H8	C3	H10	108.907
H9	C3	H10	108.335	H11	C4	H12	108.335
H13	C5	H14	107.543	H15	C6	H16	107.543

Number	Element	Mulliken
1	O	-0.338
2	O	-0.338
3	C	-0.449
4	C	-0.449
5	C	-0.235
6	C	-0.235
7	H	0.224
8	H	0.224
9	H	0.198
10	H	0.198
11	H	0.198
12	H	0.198
13	H	0.201
14	H	0.201
15	H	0.201
16	H	0.201

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

using model chemistry: B3PW91/6-311G*

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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<r²>	268.420
(<r²>)^1/2	16.384

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

using model chemistry: B3PW91/6-311G*

States and conformations

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