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	hartrees
Energy at 0K	-196.604810
Energy at 298.15K	-196.615581
HF Energy	-196.604810
Nuclear repulsion energy	184.638240

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3120	3019	11.90
2	A₁	3084	2984	37.59
3	A₁	3014	2916	47.75
4	A₁	1518	1469	0.02
5	A₁	1504	1455	6.71
6	A₁	1424	1378	0.07
7	A₁	1351	1307	1.98
8	A₁	1085	1050	0.16
9	A₁	1039	1005	9.97
10	A₁	943	912	11.02
11	A₁	685	663	1.60
12	A₁	351	340	0.05
13	A₂	3189	3085	0.00
14	A₂	3060	2960	0.00
15	A₂	1482	1434	0.00
16	A₂	1187	1149	0.00
17	A₂	1066	1032	0.00
18	A₂	901	871	0.00
19	A₂	330	320	0.00
20	A₂	213	206	0.00
21	B₁	3116	3014	27.15
22	B₁	3063	2963	64.80
23	B₁	1500	1452	6.57
24	B₁	1473	1425	5.12
25	B₁	1158	1121	3.52
26	B₁	1075	1040	0.59
27	B₁	846	819	6.31
28	B₁	396	384	0.92
29	B₁	240	232	0.00
30	B₂	3203	3098	26.53
31	B₂	3082	2982	19.48
32	B₂	3009	2911	34.30
33	B₂	1495	1446	4.48
34	B₂	1412	1366	7.13
35	B₂	1315	1273	1.27
36	B₂	975	944	0.36
37	B₂	947	916	0.17
38	B₂	791	765	0.00
39	B₂	360	348	0.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.150
C2	0.756	0.000	-1.153
C3	-0.756	0.000	-1.153
C4	0.000	1.272	0.969
C5	0.000	-1.272	0.969
H6	1.263	0.908	-1.451
H7	1.263	-0.908	-1.451
H8	-1.263	-0.908	-1.451
H9	-1.263	0.908	-1.451
H10	-0.882	1.324	1.612
H11	-0.882	-1.324	1.612
H12	0.882	-1.324	1.612
H13	0.882	1.324	1.612
H14	0.000	2.157	0.332
H15	0.000	-2.157	0.332

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5066	1.5066	1.5132	1.5132	2.2321	2.2321	2.2321	2.2321	2.1609	2.1609	2.1609	2.1609	2.1650	2.1650
C2	1.5066		1.5111	2.5875	2.5875	1.0817	1.0817	2.2332	2.2332	3.4762	3.4762	3.0688	3.0688	2.7260	2.7260
C3	1.5066	1.5111		2.5875	2.5875	2.2332	2.2332	1.0817	1.0817	3.0688	3.0688	3.4762	3.4762	2.7260	2.7260
C4	1.5132	2.5875	2.5875		2.5443	2.7542	3.4936	3.4936	2.7542	1.0930	2.8164	2.8164	1.0930	1.0908	3.4882
C5	1.5132	2.5875	2.5875	2.5443		3.4936	2.7542	2.7542	3.4936	2.8164	1.0930	1.0930	2.8164	3.4882	1.0908
H6	2.2321	1.0817	2.2332	2.7542	3.4936		1.8156	3.1109	2.5261	3.7627	4.3550	3.8089	3.1145	2.5170	3.7642
H7	2.2321	1.0817	2.2332	3.4936	2.7542	1.8156		2.5261	3.1109	4.3550	3.7627	3.1145	3.8089	3.7642	2.5170
H8	2.2321	2.2332	1.0817	3.4936	2.7542	3.1109	2.5261		1.8156	3.8089	3.1145	3.7627	4.3550	3.7642	2.5170
H9	2.2321	2.2332	1.0817	2.7542	3.4936	2.5261	3.1109	1.8156		3.1145	3.8089	4.3550	3.7627	2.5170	3.7642
H10	2.1609	3.4762	3.0688	1.0930	2.8164	3.7627	4.3550	3.8089	3.1145		2.6479	3.1822	1.7648	1.7641	3.8128
H11	2.1609	3.4762	3.0688	2.8164	1.0930	4.3550	3.7627	3.1145	3.8089	2.6479		1.7648	3.1822	3.8128	1.7641
H12	2.1609	3.0688	3.4762	2.8164	1.0930	3.8089	3.1145	3.7627	4.3550	3.1822	1.7648		2.6479	3.8128	1.7641
H13	2.1609	3.0688	3.4762	1.0930	2.8164	3.1145	3.8089	4.3550	3.7627	1.7648	3.1822	2.6479		1.7641	3.8128
H14	2.1650	2.7260	2.7260	1.0908	3.4882	2.5170	3.7642	3.7642	2.5170	1.7641	3.8128	3.8128	1.7641		4.3147
H15	2.1650	2.7260	2.7260	3.4882	1.0908	3.7642	2.5170	2.5170	3.7642	3.8128	1.7641	1.7641	3.8128	4.3147

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.902	C1	C2	H6	118.241
C1	C2	H7	118.241	C1	C3	C2	59.902
C1	C3	H8	118.241	C1	C3	H9	118.241
C1	C4	H10	110.996	C1	C4	H13	110.996
C1	C4	H14	111.463	C1	C5	H11	110.996
C1	C5	H12	110.996	C1	C5	H15	111.463
C2	C1	C3	60.197	C2	C1	C4	117.933
C2	C1	C5	117.933	C2	C3	H8	117.981
C2	C3	H9	117.981	C3	C1	C4	117.933
C3	C1	C5	117.933	C3	C2	H6	117.981
C3	C2	H7	117.981	C4	C1	C5	114.436
H6	C2	H7	114.113	H8	C3	H9	114.113
H10	C4	H13	107.677	H10	C4	H14	107.771
H11	C5	H12	107.677	H11	C5	H15	107.771
H12	C5	H15	107.771	H13	C4	H14	107.771

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

using model chemistry: B3LYP/aug-cc-pVTZ

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: B3LYP/aug-cc-pVTZ

States and conformations

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