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	hartrees
Energy at 0K	-196.528817
Energy at 298.15K	-196.539550
Nuclear repulsion energy	183.910996

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3141	3016	13.77
2	A	3109	2985	41.24
3	A	3036	2915	43.28
4	A	1546	1484	0.02
5	A	1532	1471	4.39
6	A	1452	1394	0.27
7	A	1369	1314	1.95
8	A	1101	1058	0.90
9	A	1054	1012	6.54
10	A	956	918	11.03
11	A	690	663	1.34
12	A	350	336	0.01
13	A	3209	3081	0.00
14	A	3088	2966	0.00
15	A	1511	1451	0.00
16	A	1201	1153	0.00
17	A	1078	1036	0.00
18	A	908	872	0.00
19	A	328	315	0.00
20	A	214	206	0.00
21	A	3136	3011	26.13
22	A	3092	2969	69.32
23	A	1530	1469	4.94
24	A	1496	1436	2.31
25	A	1172	1125	5.84
26	A	1082	1039	1.02
27	A	858	824	5.76
28	A	392	377	1.02
29	A	241	231	0.01
30	A	3223	3095	30.24
31	A	3106	2983	20.14
32	A	3030	2910	34.26
33	A	1524	1464	4.24
34	A	1439	1382	4.07
35	A	1332	1279	2.11
36	A	984	944	0.33
37	A	957	919	0.58
38	A	797	766	0.06
39	A	359	345	0.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.151
C2	0.757	0.000	-1.158
C3	-0.757	0.000	-1.158
C4	0.000	1.277	0.974
C5	0.000	-1.277	0.974
H6	1.268	0.912	-1.459
H7	1.268	-0.912	-1.459
H8	-1.268	-0.912	-1.459
H9	-1.268	0.912	-1.459
H10	-0.886	1.331	1.620
H11	-0.886	-1.331	1.620
H12	0.886	-1.331	1.620
H13	0.886	1.331	1.620
H14	0.000	2.167	0.334
H15	0.000	-2.167	0.334

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5123	1.5123	1.5190	1.5190	2.2425	2.2425	2.2425	2.2425	2.1711	2.1711	2.1711	2.1711	2.1743	2.1743
C2	1.5123		1.5136	2.5977	2.5977	1.0874	1.0874	2.2405	2.2405	3.4910	3.4910	3.0831	3.0831	2.7373	2.7373
C3	1.5123	1.5136		2.5977	2.5977	2.2405	2.2405	1.0874	1.0874	3.0831	3.0831	3.4910	3.4910	2.7373	2.7373
C4	1.5190	2.5977	2.5977		2.5540	2.7668	3.5089	3.5089	2.7668	1.0979	2.8292	2.8292	1.0979	1.0959	3.5026
C5	1.5190	2.5977	2.5977	2.5540		3.5089	2.7668	2.7668	3.5089	2.8292	1.0979	1.0979	2.8292	3.5026	1.0959
H6	2.2425	1.0874	2.2405	2.7668	3.5089		1.8237	3.1230	2.5352	3.7800	4.3753	3.8277	3.1299	2.5284	3.7809
H7	2.2425	1.0874	2.2405	3.5089	2.7668	1.8237		2.5352	3.1230	4.3753	3.7800	3.1299	3.8277	3.7809	2.5284
H8	2.2425	2.2405	1.0874	3.5089	2.7668	3.1230	2.5352		1.8237	3.8277	3.1299	3.7800	4.3753	3.7809	2.5284
H9	2.2425	2.2405	1.0874	2.7668	3.5089	2.5352	3.1230	1.8237		3.1299	3.8277	4.3753	3.7800	2.5284	3.7809
H10	2.1711	3.4910	3.0831	1.0979	2.8292	3.7800	4.3753	3.8277	3.1299		2.6621	3.1979	1.7719	1.7712	3.8306
H11	2.1711	3.4910	3.0831	2.8292	1.0979	4.3753	3.7800	3.1299	3.8277	2.6621		1.7719	3.1979	3.8306	1.7712
H12	2.1711	3.0831	3.4910	2.8292	1.0979	3.8277	3.1299	3.7800	4.3753	3.1979	1.7719		2.6621	3.8306	1.7712
H13	2.1711	3.0831	3.4910	1.0979	2.8292	3.1299	3.8277	4.3753	3.7800	1.7719	3.1979	2.6621		1.7712	3.8306
H14	2.1743	2.7373	2.7373	1.0959	3.5026	2.5284	3.7809	3.7809	2.5284	1.7712	3.8306	3.8306	1.7712		4.3333
H15	2.1743	2.7373	2.7373	3.5026	1.0959	3.7809	2.5284	2.5284	3.7809	3.8306	1.7712	1.7712	3.8306	4.3333

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.971	C1	C2	H6	118.300
C1	C2	H7	118.300	C1	C3	C2	59.971
C1	C3	H8	118.300	C1	C3	H9	118.300
C1	C4	H10	111.105	C1	C4	H13	111.105
C1	C4	H14	111.483	C1	C5	H11	111.105
C1	C5	H12	111.105	C1	C5	H15	111.483
C2	C1	C3	60.058	C2	C1	C4	117.958
C2	C1	C5	117.958	C2	C3	H8	118.017
C2	C3	H9	118.017	C3	C1	C4	117.958
C3	C1	C5	117.958	C3	C2	H6	118.017
C3	C2	H7	118.017	C4	C1	C5	114.428
H6	C2	H7	113.970	H8	C3	H9	113.970
H10	C4	H13	107.604	H10	C4	H14	107.681
H11	C5	H12	107.604	H11	C5	H15	107.681
H12	C5	H15	107.681	H13	C4	H14	107.681

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

using model chemistry: B3LYP/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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Number	Element	Mulliken	CHELPG	ESP
1	C	0.144	0.208	0.403
2	C	-0.324	-0.260	-0.325
3	C	-0.324	-0.260	-0.316
4	C	-0.459	-0.216	-0.553
5	C	-0.459	-0.216	-0.553
6	H	0.144	0.098	0.122
7	H	0.144	0.098	0.122
8	H	0.144	0.098	0.120
9	H	0.144	0.098	0.120
10	H	0.142	0.051	0.138
11	H	0.142	0.051	0.138
12	H	0.138	0.073	0.138
13	H	0.142	0.051	0.138
14	H	0.138	0.073	0.155
15	H	0.142	0.051	0.155

	x	y	z	Total
	0.000	0.000	0.100	0.100
CHELPG	-0.098	0.000	0.000	0.098
AIM
ESP	-0.003	0.000	0.099	0.099

<r²>	123.278
(<r²>)^1/2	11.103

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

using model chemistry: B3LYP/6-31G*

States and conformations

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