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	hartrees
Energy at 0K	-195.861335
Energy at 298.15K	-195.872141
HF Energy	-195.145655
Nuclear repulsion energy	183.688891

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3178	3027	15.59
2	A	3170	3020	25.10
3	A	3066	2920	33.11
4	A	1528	1455	0.09
5	A	1497	1426	6.39
6	A	1421	1353	0.03
7	A	1370	1305	0.91
8	A	1096	1044	0.20
9	A	1036	987	9.13
10	A	972	925	11.18
11	A	703	670	1.41
12	A	347	331	0.03
13	A	3270	3114	0.00
14	A	3155	3005	0.00
15	A	1476	1406	0.00
16	A	1183	1127	0.00
17	A	1063	1012	0.00
18	A	892	849	0.00
19	A	333	317	0.00
20	A	227	216	0.00
21	A	3171	3021	13.94
22	A	3156	3006	48.73
23	A	1495	1424	6.52
24	A	1456	1387	3.70
25	A	1160	1105	4.18
26	A	1059	1009	0.73
27	A	881	839	5.54
28	A	389	371	0.90
29	A	256	244	0.01
30	A	3282	3126	15.59
31	A	3169	3019	12.35
32	A	3063	2917	32.49
33	A	1489	1419	3.96
34	A	1415	1348	6.13
35	A	1337	1274	0.22
36	A	977	931	0.79
37	A	961	915	0.01
38	A	787	750	0.04
39	A	353	337	0.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.154
C2	0.761	0.000	-1.155
C3	-0.761	0.000	-1.155
C4	0.000	1.277	0.970
C5	0.000	-1.277	0.970
H6	1.269	0.923	-1.453
H7	1.269	-0.923	-1.453
H8	-1.269	-0.923	-1.453
H9	-1.269	0.923	-1.453
H10	-0.894	1.331	1.618
H11	-0.894	-1.331	1.618
H12	0.894	-1.331	1.618
H13	0.894	1.331	1.618
H14	0.000	2.166	0.318
H15	0.000	-2.166	0.318

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5146	1.5146	1.5159	1.5159	2.2460	2.2460	2.2460	2.2460	2.1706	2.1706	2.1706	2.1706	2.1726	2.1726
C2	1.5146		1.5225	2.5941	2.5941	1.0944	1.0944	2.2498	2.2498	3.4927	3.4927	3.0786	3.0786	2.7281	2.7281
C3	1.5146	1.5225		2.5941	2.5941	2.2498	2.2498	1.0944	1.0944	3.0786	3.0786	3.4927	3.4927	2.7281	2.7281
C4	1.5159	2.5941	2.5941		2.5547	2.7584	3.5104	3.5104	2.7584	1.1047	2.8318	2.8318	1.1047	1.1030	3.5051
C5	1.5159	2.5941	2.5941	2.5547		3.5104	2.7584	2.7584	3.5104	2.8318	1.1047	1.1047	2.8318	3.5051	1.1030
H6	2.2460	1.0944	2.2498	2.7584	3.5104		1.8454	3.1377	2.5377	3.7779	4.3799	3.8273	3.1205	2.5085	3.7800
H7	2.2460	1.0944	2.2498	3.5104	2.7584	1.8454		2.5377	3.1377	4.3799	3.7779	3.1205	3.8273	3.7800	2.5085
H8	2.2460	2.2498	1.0944	3.5104	2.7584	3.1377	2.5377		1.8454	3.8273	3.1205	3.7779	4.3799	3.7800	2.5085
H9	2.2460	2.2498	1.0944	2.7584	3.5104	2.5377	3.1377	1.8454		3.1205	3.8273	4.3799	3.7779	2.5085	3.7800
H10	2.1706	3.4927	3.0786	1.1047	2.8318	3.7779	4.3799	3.8273	3.1205		2.6613	3.2057	1.7872	1.7854	3.8365
H11	2.1706	3.4927	3.0786	2.8318	1.1047	4.3799	3.7779	3.1205	3.8273	2.6613		1.7872	3.2057	3.8365	1.7854
H12	2.1706	3.0786	3.4927	2.8318	1.1047	3.8273	3.1205	3.7779	4.3799	3.2057	1.7872		2.6613	3.8365	1.7854
H13	2.1706	3.0786	3.4927	1.1047	2.8318	3.1205	3.8273	4.3799	3.7779	1.7872	3.2057	2.6613		1.7854	3.8365
H14	2.1726	2.7281	2.7281	1.1030	3.5051	2.5085	3.7800	3.7800	2.5085	1.7854	3.8365	3.8365	1.7854		4.3329
H15	2.1726	2.7281	2.7281	3.5051	1.1030	3.7800	2.5085	2.5085	3.7800	3.8365	1.7854	1.7854	3.8365	4.3329

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.827	C1	C2	H6	117.931
C1	C2	H7	117.931	C1	C3	C2	59.827
C1	C3	H8	117.931	C1	C3	H9	117.931
C1	C4	H10	110.869	C1	C4	H13	110.869
C1	C4	H14	111.137	C1	C5	H11	110.869
C1	C5	H12	110.869	C1	C5	H15	111.137
C2	C1	C3	60.347	C2	C1	C4	117.743
C2	C1	C5	117.743	C2	C3	H8	117.634
C2	C3	H9	117.634	C3	C1	C4	117.743
C3	C1	C5	117.743	C3	C2	H6	117.634
C3	C2	H7	117.634	C4	C1	C5	114.842
H6	C2	H7	114.936	H8	C3	H9	114.936
H10	C4	H13	107.969	H10	C4	H14	107.932
H11	C5	H12	107.969	H11	C5	H15	107.932
H12	C5	H15	107.932	H13	C4	H14	107.932

All results from a given calculation for C₅H₁₀ (Cyclopropane, 1,1-dimethyl-)

using model chemistry: MP2/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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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 C5H10 (Cyclopropane, 1,1-dimethyl-)

using model chemistry: MP2/cc-pVDZ

States and conformations

All results from a given calculation for C₅H₁₀ (Cyclopropane, 1,1-dimethyl-)