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	hartrees
Energy at 0K	-305.914280
Energy at 298.15K	-305.924011
HF Energy	-305.914280
Nuclear repulsion energy	251.521717

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3361	3054	1.67
2	A₁	3292	2991	35.84
3	A₁	3178	2887	9.26
4	A₁	1805	1640	407.92
5	A₁	1636	1487	6.15
6	A₁	1621	1473	10.99
7	A₁	1548	1406	41.00
8	A₁	1343	1220	6.23
9	A₁	1295	1177	0.31
10	A₁	969	881	53.57
11	A₁	538	489	0.92
12	A₁	284	258	5.98
13	A₂	3240	2944	0.00
14	A₂	1619	1471	0.00
15	A₂	1286	1169	0.00
16	A₂	739	671	0.00
17	A₂	252	229	0.00
18	A₂	138	126	0.00
19	B₁	3240	2944	85.70
20	B₁	1619	1471	16.15
21	B₁	1289	1171	5.91
22	B₁	855	777	119.14
23	B₁	750	682	0.08
24	B₁	265	241	0.39
25	B₁	101	91	12.10
26	B₂	3444	3129	6.84
27	B₂	3292	2991	26.05
28	B₂	3177	2887	64.76
29	B₂	1632	1483	2.88
30	B₂	1627	1479	62.23
31	B₂	1483	1348	626.22
32	B₂	1333	1211	9.39
33	B₂	1167	1060	152.69
34	B₂	1026	932	0.00
35	B₂	609	553	0.01
36	B₂	402	365	7.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.412
C2	0.000	0.000	0.085
H3	0.000	0.913	1.967
H4	0.000	-0.913	1.967
O5	0.000	1.067	-0.705
O6	0.000	-1.067	-0.705
C7	0.000	2.346	-0.134
C8	0.000	-2.346	-0.134
H9	0.000	3.041	-0.959
H10	0.000	-3.041	-0.959
H11	-0.885	2.504	0.471
H12	0.885	2.504	0.471
H13	0.885	-2.504	0.471
H14	-0.885	-2.504	0.471

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3275	1.0682	1.0682	2.3705	2.3705	2.8100	2.8100	3.8564	3.8564	2.8177	2.8177	2.8177	2.8177
C2	1.3275		2.0915	2.0915	1.3270	1.3270	2.3563	2.3563	3.2154	3.2154	2.6838	2.6838	2.6838	2.6838
H3	1.0682	2.0915		1.8264	2.6756	3.3249	2.5429	3.8777	3.6175	4.9189	2.3559	2.3559	3.8337	3.8337
H4	1.0682	2.0915	1.8264		3.3249	2.6756	3.8777	2.5429	4.9189	3.6175	3.8337	3.8337	2.3559	2.3559
O5	2.3705	1.3270	2.6756	3.3249		2.1331	1.4010	3.4600	1.9910	4.1157	2.0572	2.0572	3.8620	3.8620
O6	2.3705	1.3270	3.3249	2.6756	2.1331		3.4600	1.4010	4.1157	1.9910	3.8620	3.8620	2.0572	2.0572
C7	2.8100	2.3563	2.5429	3.8777	1.4010	3.4600		4.6922	1.0786	5.4501	1.0838	1.0838	4.9673	4.9673
C8	2.8100	2.3563	3.8777	2.5429	3.4600	1.4010	4.6922		5.4501	1.0786	4.9673	4.9673	1.0838	1.0838
H9	3.8564	3.2154	3.6175	4.9189	1.9910	4.1157	1.0786	5.4501		6.0826	1.7654	1.7654	5.7947	5.7947
H10	3.8564	3.2154	4.9189	3.6175	4.1157	1.9910	5.4501	1.0786	6.0826		5.7947	5.7947	1.7654	1.7654
H11	2.8177	2.6838	2.3559	3.8337	2.0572	3.8620	1.0838	4.9673	1.7654	5.7947		1.7700	5.3116	5.0081
H12	2.8177	2.6838	2.3559	3.8337	2.0572	3.8620	1.0838	4.9673	1.7654	5.7947	1.7700		5.0081	5.3116
H13	2.8177	2.6838	3.8337	2.3559	3.8620	2.0572	4.9673	1.0838	5.7947	1.7654	5.3116	5.0081		1.7700
H14	2.8177	2.6838	3.8337	2.3559	3.8620	2.0572	4.9673	1.0838	5.7947	1.7654	5.0081	5.3116	1.7700

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	126.513	C1	C2	O6	126.513
C2	C1	H3	121.251	C2	C1	H4	121.251
C2	O5	C7	119.459	C2	O6	C8	119.459
H3	C1	H4	117.497	O5	C2	O6	106.974
O5	C7	H9	106.102	O5	C7	H11	111.132
O5	C7	H12	111.132	O6	C8	H10	106.102
O6	C8	H13	111.132	O6	C8	H14	111.132
H9	C7	H11	109.460	H9	C7	H12	109.460
H10	C8	H13	109.460	H10	C8	H14	109.460
H11	C7	H12	109.484	H13	C8	H14	109.484

All results from a given calculation for C₄H₈O₂ (Ethene, 1,1-dimethoxy-)

using model chemistry: HF/TZVP

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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Number	Element	Mulliken
1	C	-0.426
2	C	0.299
3	H	0.119
4	H	0.119
5	O	-0.259
6	O	-0.259
7	C	-0.084
8	C	-0.084
9	H	0.111
10	H	0.111
11	H	0.088
12	H	0.088
13	H	0.088
14	H	0.088

<r²>	185.097
(<r²>)^1/2	13.605

All results from a given calculation for C4H8O2 (Ethene, 1,1-dimethoxy-)

using model chemistry: HF/TZVP

States and conformations

All results from a given calculation for C₄H₈O₂ (Ethene, 1,1-dimethoxy-)