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	hartrees
Energy at 0K	-196.438038
Energy at 298.15K	-196.448622
Nuclear repulsion energy	182.770678

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3037	3029	19.56
2	A	3007	2999	46.53
3	A	2941	2934	58.66
4	A	1492	1488	1.79
5	A	1477	1474	4.64
6	A	1399	1395	0.01
7	A	1308	1305	1.80
8	A	1055	1052	0.32
9	A	1002	1000	13.00
10	A	910	907	8.97
11	A	659	658	1.33
12	A	346	345	0.04
13	A	3103	3095	0.00
14	A	2982	2975	0.00
15	A	1464	1460	0.00
16	A	1162	1159	0.00
17	A	1043	1040	0.00
18	A	881	879	0.00
19	A	322	321	0.00
20	A	205	204	0.00
21	A	3033	3025	38.27
22	A	2986	2979	87.98
23	A	1483	1480	7.66
24	A	1446	1442	4.44
25	A	1126	1123	3.64
26	A	1029	1026	1.50
27	A	810	808	5.61
28	A	384	383	1.10
29	A	231	231	0.00
30	A	3119	3111	44.04
31	A	3004	2997	27.24
32	A	2935	2928	39.86
33	A	1475	1472	5.70
34	A	1385	1381	6.05
35	A	1276	1273	2.12
36	A	955	952	0.19
37	A	919	916	0.26
38	A	777	775	0.05
39	A	353	352	0.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.152
C2	0.763	0.000	-1.167
C3	-0.763	0.000	-1.167
C4	0.000	1.284	0.980
C5	0.000	-1.284	0.980
H6	1.276	0.915	-1.469
H7	1.276	-0.915	-1.469
H8	-1.276	-0.915	-1.469
H9	-1.276	0.915	-1.469
H10	-0.889	1.339	1.630
H11	-0.889	-1.339	1.630
H12	0.889	-1.339	1.630
H13	0.889	1.339	1.630
H14	0.000	2.180	0.342
H15	0.000	-2.180	0.342

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5237	1.5237	1.5280	1.5280	2.2566	2.2566	2.2566	2.2566	2.1835	2.1835	2.1835	2.1835	2.1885	2.1885
C2	1.5237		1.5255	2.6157	2.6157	1.0918	1.0918	2.2551	2.2551	3.5135	3.5135	3.1035	3.1035	2.7593	2.7593
C3	1.5237	1.5255		2.6157	2.6157	2.2551	2.2551	1.0918	1.0918	3.1035	3.1035	3.5135	3.5135	2.7593	2.7593
C4	1.5280	2.6157	2.6157		2.5677	2.7861	3.5302	3.5302	2.7861	1.1025	2.8445	2.8445	1.1025	1.1002	3.5223
C5	1.5280	2.6157	2.6157	2.5677		3.5302	2.7861	2.7861	3.5302	2.8445	1.1025	1.1025	2.8445	3.5223	1.1002
H6	2.2566	1.0918	2.2551	2.7861	3.5302		1.8304	3.1407	2.5521	3.8038	4.4012	3.8512	3.1512	2.5512	3.8065
H7	2.2566	1.0918	2.2551	3.5302	2.7861	1.8304		2.5521	3.1407	4.4012	3.8038	3.1512	3.8512	3.8065	2.5512
H8	2.2566	2.2551	1.0918	3.5302	2.7861	3.1407	2.5521		1.8304	3.8512	3.1512	3.8038	4.4012	3.8065	2.5512
H9	2.2566	2.2551	1.0918	2.7861	3.5302	2.5521	3.1407	1.8304		3.1512	3.8512	4.4012	3.8038	2.5512	3.8065
H10	2.1835	3.5135	3.1035	1.1025	2.8445	3.8038	4.4012	3.8512	3.1512		2.6778	3.2146	1.7785	1.7765	3.8512
H11	2.1835	3.5135	3.1035	2.8445	1.1025	4.4012	3.8038	3.1512	3.8512	2.6778		1.7785	3.2146	3.8512	1.7765
H12	2.1835	3.1035	3.5135	2.8445	1.1025	3.8512	3.1512	3.8038	4.4012	3.2146	1.7785		2.6778	3.8512	1.7765
H13	2.1835	3.1035	3.5135	1.1025	2.8445	3.1512	3.8512	4.4012	3.8038	1.7785	3.2146	2.6778		1.7765	3.8512
H14	2.1885	2.7593	2.7593	1.1002	3.5223	2.5512	3.8065	3.8065	2.5512	1.7765	3.8512	3.8512	1.7765		4.3603
H15	2.1885	2.7593	2.7593	3.5223	1.1002	3.8065	2.5512	2.5512	3.8065	3.8512	1.7765	1.7765	3.8512	4.3603

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.962	C1	C2	H6	118.324
C1	C2	H7	118.324	C1	C3	C2	59.962
C1	C3	H8	118.324	C1	C3	H9	118.324
C1	C4	H10	111.181	C1	C4	H13	111.181
C1	C4	H14	111.719	C1	C5	H11	111.181
C1	C5	H12	111.181	C1	C5	H15	111.719
C2	C1	C3	60.077	C2	C1	C4	117.995
C2	C1	C5	117.995	C2	C3	H8	118.044
C2	C3	H9	118.044	C3	C1	C4	117.995
C3	C1	C5	117.995	C3	C2	H6	118.044
C3	C2	H7	118.044	C4	C1	C5	114.330
H6	C2	H7	113.912	H8	C3	H9	113.912
H10	C4	H13	107.524	H10	C4	H14	107.514
H11	C5	H12	107.524	H11	C5	H15	107.514
H12	C5	H15	107.514	H13	C4	H14	107.514

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	0.037
2	C	-0.400
3	C	-0.400
4	C	-0.588
5	C	-0.589
6	H	0.197
7	H	0.197
8	H	0.197
9	H	0.197
10	H	0.194
11	H	0.195
12	H	0.195
13	H	0.187
14	H	0.188
15	H	0.195

<r²>	125.277
(<r²>)^1/2	11.193

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

using model chemistry: BLYP/6-311G*

States and conformations

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