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	hartrees
Energy at 0K	-268.908367
Energy at 298.15K	-268.918070
Nuclear repulsion energy	199.426596

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3206	3036	3.44
2	A	3143	2976	65.80
3	A	3064	2902	60.54
4	A	3055	2893	18.63
5	A	1563	1480	5.73
6	A	1546	1464	0.18
7	A	1528	1447	6.23
8	A	1508	1428	0.08
9	A	1370	1297	0.93
10	A	1243	1177	40.96
11	A	1207	1143	13.53
12	A	1174	1112	74.25
13	A	964	913	4.05
14	A	624	591	5.97
15	A	331	314	6.00
16	A	167	158	0.95
17	A	89	84	1.62
18	B	3205	3036	43.36
19	B	3142	2976	8.36
20	B	3131	2965	49.73
21	B	3056	2894	93.83
22	B	1554	1472	9.26
23	B	1531	1450	0.35
24	B	1522	1442	13.49
25	B	1457	1380	14.69
26	B	1279	1211	15.51
27	B	1205	1142	12.50
28	B	1198	1135	192.64
29	B	1108	1049	122.68
30	B	985	933	65.92
31	B	476	451	5.39
32	B	245	232	19.71
33	B	119	113	2.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.933
H2	-0.707	0.559	1.557
H3	0.707	-0.559	1.557
O4	0.789	0.866	0.170
O5	-0.789	-0.866	0.170
C6	0.000	1.782	-0.571
C7	0.000	-1.782	-0.571
H8	0.692	2.449	-1.081
H9	-0.692	-2.449	-1.081
H10	-0.627	1.270	-1.306
H11	-0.644	2.368	0.095
H12	0.627	-1.270	-1.306
H13	0.644	-2.368	0.095

	C1	H2	H3	O4	O5	C6	C7	H8	H9	H10	H11	H12	H13
C1		1.0963	1.0963	1.3982	1.3982	2.3321	2.3321	3.2458	3.2458	2.6495	2.5931	2.6495	2.5931
H2	1.0963		1.8032	2.0632	1.9904	2.5543	3.2421	3.5340	4.0013	2.9508	2.3262	3.6500	3.5401
H3	1.0963	1.8032		1.9904	2.0632	3.2421	2.5543	4.0013	3.5340	3.6500	3.5401	2.9508	2.3262
O4	1.3982	2.0632	1.9904		2.3430	1.4183	2.8603	2.0203	3.8404	2.0850	2.0778	2.6012	3.2376
O5	1.3982	1.9904	2.0632	2.3430		2.8603	1.4183	3.8404	2.0203	2.6012	3.2376	2.0850	2.0778
C6	2.3321	2.5543	3.2421	1.4183	2.8603		3.5632	1.0884	4.3171	1.0926	1.0969	3.2008	4.2517
C7	2.3321	3.2421	2.5543	2.8603	1.4183	3.5632		4.3171	1.0884	3.2008	4.2517	1.0926	1.0969
H8	3.2458	3.5340	4.0013	2.0203	3.8404	1.0884	4.3171		5.0901	1.7836	1.7825	3.7265	4.9586
H9	3.2458	4.0013	3.5340	3.8404	2.0203	4.3171	1.0884	5.0901		3.7265	4.9586	1.7836	1.7825
H10	2.6495	2.9508	3.6500	2.0850	2.6012	1.0926	3.2008	1.7836	3.7265		1.7799	2.8328	4.1004
H11	2.5931	2.3262	3.5401	2.0778	3.2376	1.0969	4.2517	1.7825	4.9586	1.7799		4.1004	4.9078
H12	2.6495	3.6500	2.9508	2.6012	2.0850	3.2008	1.0926	3.7265	1.7836	2.8328	4.1004		1.7799
H13	2.5931	3.5401	2.3262	3.2376	2.0778	4.2517	1.0969	4.9586	1.7825	4.1004	4.9078	1.7799

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C6	111.783	C1	O5	C7	111.783
H2	C1	H3	110.652	H2	C1	O4	111.019
H2	C1	O5	105.214	H3	C1	O4	105.214
H3	C1	O5	111.019	O4	C1	O5	113.830
O4	C6	H8	106.661	O4	C6	H10	111.615
O4	C6	H11	110.744	O5	C7	H9	106.661
O5	C7	H12	111.615	O5	C7	H13	110.744
H8	C6	H10	109.722	H8	C6	H11	109.305
H9	C7	H12	109.722	H9	C7	H13	109.305
H10	C6	H11	108.758	H12	C7	H13	108.758

All results from a given calculation for C₃H₈O₂ (Methane, dimethoxy-)

using model chemistry: MP2=FULL/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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for C3H8O2 (Methane, dimethoxy-)

using model chemistry: MP2=FULL/6-311G*

States and conformations

All results from a given calculation for C₃H₈O₂ (Methane, dimethoxy-)