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	hartrees
Energy at 0K	-195.846168
Energy at 298.15K	-195.857038
HF Energy	-195.131557
Nuclear repulsion energy	184.202173

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3163	3012	10.98
2	A	3133	2983	38.84
3	A	3053	2907	32.23
4	A	1574	1499	0.17
5	A	1554	1480	5.28
6	A	1476	1405	0.00
7	A	1407	1340	0.83
8	A	1123	1070	1.58
9	A	1087	1036	6.79
10	A	981	934	12.45
11	A	708	674	1.61
12	A	360	343	0.02
13	A	3232	3078	0.00
14	A	3117	2968	0.00
15	A	1533	1460	0.00
16	A	1220	1161	0.00
17	A	1095	1043	0.00
18	A	927	883	0.00
19	A	339	323	0.00
20	A	225	214	0.00
21	A	3156	3005	20.57
22	A	3120	2972	61.06
23	A	1550	1477	5.43
24	A	1514	1442	3.05
25	A	1206	1148	4.94
26	A	1109	1056	0.86
27	A	892	849	6.18
28	A	402	383	0.99
29	A	251	239	0.01
30	A	3245	3090	26.46
31	A	3130	2981	16.96
32	A	3048	2903	30.23
33	A	1546	1472	4.27
34	A	1466	1396	7.58
35	A	1366	1301	0.46
36	A	997	949	0.53
37	A	980	933	0.42
38	A	811	772	0.08
39	A	368	351	0.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.150
C2	0.757	0.000	-1.154
C3	-0.757	0.000	-1.154
C4	0.000	1.274	0.971
C5	0.000	-1.274	0.971
H6	1.269	0.913	-1.453
H7	1.269	-0.913	-1.453
H8	-1.269	-0.913	-1.453
H9	-1.269	0.913	-1.453
H10	-0.889	1.325	1.616
H11	-0.889	-1.325	1.616
H12	0.889	-1.325	1.616
H13	0.889	1.325	1.616
H14	0.000	2.162	0.325
H15	0.000	-2.162	0.325

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5077	1.5077	1.5160	1.5160	2.2390	2.2390	2.2390	2.2390	2.1664	2.1664	2.1664	2.1664	2.1688	2.1688
C2	1.5077		1.5132	2.5911	2.5911	1.0888	1.0888	2.2416	2.2416	3.4835	3.4835	3.0732	3.0732	2.7267	2.7267
C3	1.5077	1.5132		2.5911	2.5911	2.2416	2.2416	1.0888	1.0888	3.0732	3.0732	3.4835	3.4835	2.7267	2.7267
C4	1.5160	2.5911	2.5911		2.5485	2.7600	3.5032	3.5032	2.7600	1.0990	2.8213	2.8213	1.0990	1.0975	3.4961
C5	1.5160	2.5911	2.5911	2.5485		3.5032	2.7600	2.7600	3.5032	2.8213	1.0990	1.0990	2.8213	3.4961	1.0975
H6	2.2390	1.0888	2.2416	2.7600	3.5032		1.8265	3.1262	2.5371	3.7738	4.3681	3.8172	3.1196	2.5162	3.7720
H7	2.2390	1.0888	2.2416	3.5032	2.7600	1.8265		2.5371	3.1262	4.3681	3.7738	3.1196	3.8172	3.7720	2.5162
H8	2.2390	2.2416	1.0888	3.5032	2.7600	3.1262	2.5371		1.8265	3.8172	3.1196	3.7738	4.3681	3.7720	2.5162
H9	2.2390	2.2416	1.0888	2.7600	3.5032	2.5371	3.1262	1.8265		3.1196	3.8172	4.3681	3.7738	2.5162	3.7720
H10	2.1664	3.4835	3.0732	1.0990	2.8213	3.7738	4.3681	3.8172	3.1196		2.6493	3.1903	1.7775	1.7763	3.8222
H11	2.1664	3.4835	3.0732	2.8213	1.0990	4.3681	3.7738	3.1196	3.8172	2.6493		1.7775	3.1903	3.8222	1.7763
H12	2.1664	3.0732	3.4835	2.8213	1.0990	3.8172	3.1196	3.7738	4.3681	3.1903	1.7775		2.6493	3.8222	1.7763
H13	2.1664	3.0732	3.4835	1.0990	2.8213	3.1196	3.8172	4.3681	3.7738	1.7775	3.1903	2.6493		1.7763	3.8222
H14	2.1688	2.7267	2.7267	1.0975	3.4961	2.5162	3.7720	3.7720	2.5162	1.7763	3.8222	3.8222	1.7763		4.3234
H15	2.1688	2.7267	2.7267	3.4961	1.0975	3.7720	2.5162	2.5162	3.7720	3.8222	1.7763	1.7763	3.8222	4.3234

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.879	C1	C2	H6	118.259
C1	C2	H7	118.259	C1	C3	C2	59.879
C1	C3	H8	118.259	C1	C3	H9	118.259
C1	C4	H10	110.870	C1	C4	H13	110.870
C1	C4	H14	111.154	C1	C5	H11	110.870
C1	C5	H12	110.870	C1	C5	H15	111.154
C2	C1	C3	60.243	C2	C1	C4	117.944
C2	C1	C5	117.944	C2	C3	H8	118.046
C2	C3	H9	118.046	C3	C1	C4	117.944
C3	C1	C5	117.944	C3	C2	H6	118.046
C3	C2	H7	118.046	C4	C1	C5	114.392
H6	C2	H7	114.021	H8	C3	H9	114.021
H10	C4	H13	107.936	H10	C4	H14	107.938
H11	C5	H12	107.936	H11	C5	H15	107.938
H12	C5	H15	107.938	H13	C4	H14	107.938

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

using model chemistry: QCISD/6-31G*

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: QCISD/6-31G*

States and conformations

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