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	hartrees
Energy at 0K	-307.002660
Energy at 298.15K	-307.014594
Nuclear repulsion energy	254.489208

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3281	2980	0.00
2	A_g	3157	2867	0.00
3	A_g	3140	2851	0.00
4	A_g	1636	1485	0.00
5	A_g	1618	1469	0.00
6	A_g	1601	1454	0.00
7	A_g	1568	1424	0.00
8	A_g	1358	1233	0.00
9	A_g	1291	1172	0.00
10	A_g	1167	1060	0.00
11	A_g	1117	1014	0.00
12	A_g	426	387	0.00
13	A_g	354	322	0.00
14	A_u	3208	2913	198.97
15	A_u	3200	2906	102.98
16	A_u	1592	1445	10.68
17	A_u	1337	1214	18.31
18	A_u	1267	1151	6.72
19	A_u	898	816	1.31
20	A_u	246	223	13.77
21	A_u	119	108	5.91
22	A_u	73	66	4.77
23	B_g	3200	2906	0.00
24	B_g	3179	2886	0.00
25	B_g	1592	1446	0.00
26	B_g	1400	1271	0.00
27	B_g	1286	1168	0.00
28	B_g	1244	1130	0.00
29	B_g	221	200	0.00
30	B_g	126	114	0.00
31	B_u	3281	2979	92.34
32	B_u	3155	2865	154.95
33	B_u	3139	2850	78.05
34	B_u	1642	1491	3.38
35	B_u	1606	1458	23.68
36	B_u	1588	1442	7.39
37	B_u	1473	1338	58.79
38	B_u	1344	1220	324.55
39	B_u	1274	1157	217.64
40	B_u	1062	965	74.97
41	B_u	540	490	5.27
42	B_u	157	143	4.09

Atom	x (Å)	y (Å)	z (Å)
O1	1.327	1.181	0.000
O2	-1.327	-1.181	0.000
C3	-1.487	-2.564	0.000
C4	1.487	2.564	0.000
C5	0.000	0.756	0.000
C6	0.000	-0.756	0.000
H7	2.555	2.774	0.000
H8	-2.555	-2.774	0.000
H9	-1.037	-3.022	0.889
H10	-1.037	-3.022	-0.889
H11	1.037	3.022	0.889
H12	1.037	3.022	-0.889
H13	-0.533	1.123	0.885
H14	-0.533	1.123	-0.885
H15	0.533	-1.123	0.885
H16	0.533	-1.123	-0.885

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		3.5536	4.6849	1.3920	1.3938	2.3479	2.0112	5.5424	4.9036	4.9036	2.0641	2.0641	2.0603	2.0603	2.5927	2.5927
O2	3.5536		1.3920	4.6849	2.3479	1.3938	5.5424	2.0112	2.0641	2.0641	4.9036	4.9036	2.5927	2.5927	2.0603	2.0603
C3	4.6849	1.3920		5.9282	3.6375	2.3414	6.6960	1.0885	1.0960	1.0960	6.1937	6.1937	3.9097	3.9097	2.6342	2.6342
C4	1.3920	4.6849	5.9282		2.3414	3.6375	1.0885	6.6960	6.1937	6.1937	1.0960	1.0960	2.6342	2.6342	3.9097	3.9097
C5	1.3938	2.3479	3.6375	2.3414		1.5110	3.2563	4.3575	4.0165	4.0165	2.6459	2.6459	1.0960	1.0960	2.1433	2.1433
C6	2.3479	1.3938	2.3414	3.6375	1.5110		4.3575	3.2563	2.6459	2.6459	4.0165	4.0165	2.1433	2.1433	1.0960	1.0960
H7	2.0112	5.5424	6.6960	1.0885	3.2563	4.3575		7.5431	6.8765	6.8765	1.7760	1.7760	3.6116	3.6116	4.4787	4.4787
H8	5.5424	2.0112	1.0885	6.6960	4.3575	3.2563	7.5431		1.7760	1.7760	6.8765	6.8765	4.4787	4.4787	3.6116	3.6116
H9	4.9036	2.0641	1.0960	6.1937	4.0165	2.6459	6.8765	1.7760		1.7774	6.3894	6.6320	4.1748	4.5359	2.4639	3.0358
H10	4.9036	2.0641	1.0960	6.1937	4.0165	2.6459	6.8765	1.7760	1.7774		6.6320	6.3894	4.5359	4.1748	3.0358	2.4639
H11	2.0641	4.9036	6.1937	1.0960	2.6459	4.0165	1.7760	6.8765	6.3894	6.6320		1.7774	2.4639	3.0358	4.1748	4.5359
H12	2.0641	4.9036	6.1937	1.0960	2.6459	4.0165	1.7760	6.8765	6.6320	6.3894	1.7774		3.0358	2.4639	4.5359	4.1748
H13	2.0603	2.5927	3.9097	2.6342	1.0960	2.1433	3.6116	4.4787	4.1748	4.5359	2.4639	3.0358		1.7695	2.4850	3.0507
H14	2.0603	2.5927	3.9097	2.6342	1.0960	2.1433	3.6116	4.4787	4.5359	4.1748	3.0358	2.4639	1.7695		3.0507	2.4850
H15	2.5927	2.0603	2.6342	3.9097	2.1433	1.0960	4.4787	3.6116	2.4639	3.0358	4.1748	4.5359	2.4850	3.0507		1.7695
H16	2.5927	2.0603	2.6342	3.9097	2.1433	1.0960	4.4787	3.6116	3.0358	2.4639	4.5359	4.1748	3.0507	2.4850	1.7695

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H7	107.723	O1	C4	H11	111.563
O1	C4	H12	111.563	O1	C5	C6	107.790
O1	C5	H13	111.122	O1	C5	H14	111.122
O2	C3	H8	107.723	O2	C3	H9	111.563
O2	C3	H10	111.563	O2	C6	C5	107.790
O2	C6	H15	111.122	O2	C6	H16	111.122
C3	O2	C6	114.379	C4	O1	C5	114.379
C5	C6	H15	109.567	C5	C6	H16	109.567
C6	C5	H13	109.567	C6	C5	H14	109.567
H7	C4	H11	108.782	H7	C4	H12	108.782
H8	C3	H9	108.782	H8	C3	H10	108.782
H9	C3	H10	108.359	H11	C4	H12	108.359
H13	C5	H14	107.663	H15	C6	H16	107.663

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

using model chemistry: HF/cc-pVDZ

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
1	O	-0.487	-0.473
2	O	-0.487	-0.473
3	C	0.184	0.199
4	C	0.184	0.199
5	C	0.203	0.244
6	C	0.203	0.244
7	H	0.040	0.031
8	H	0.040	0.031
9	H	0.011	-0.004
10	H	0.011	-0.004
11	H	0.011	-0.004
12	H	0.011	-0.004
13	H	0.018	0.003
14	H	0.018	0.003
15	H	0.018	0.003
16	H	0.018	0.003

	x	y	z
x	7.346	1.141	0.000
y	1.141	8.469	0.000
z	0.000	0.000	6.591

<r²>	267.240
(<r²>)^1/2	16.347

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

using model chemistry: HF/cc-pVDZ

States and conformations

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