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	hartrees
Energy at 0K	-196.461486
Energy at 298.15K	-196.472226
Nuclear repulsion energy	184.327531

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3152	3016	12.76
2	A	3126	2991	39.23
3	A	3044	2912	40.99
4	A	1545	1478	0.01
5	A	1527	1461	5.83
6	A	1446	1383	0.01
7	A	1377	1318	1.71
8	A	1108	1060	0.91
9	A	1051	1006	7.89
10	A	969	927	13.78
11	A	702	671	1.53
12	A	348	333	0.00
13	A	3224	3084	0.00
14	A	3107	2972	0.00
15	A	1505	1440	0.00
16	A	1197	1146	0.00
17	A	1075	1028	0.00
18	A	903	864	0.00
19	A	329	315	0.00
20	A	215	206	0.00
21	A	3147	3011	25.26
22	A	3110	2975	62.49
23	A	1525	1459	6.11
24	A	1489	1424	3.59
25	A	1170	1119	6.93
26	A	1077	1030	1.39
27	A	874	836	5.19
28	A	392	375	1.33
29	A	243	232	0.02
30	A	3237	3097	25.88
31	A	3124	2988	18.24
32	A	3039	2908	35.87
33	A	1519	1453	4.77
34	A	1434	1372	7.34
35	A	1336	1278	1.35
36	A	978	936	0.56
37	A	962	920	0.60
38	A	796	761	0.02
39	A	356	341	0.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.151
C2	0.754	0.000	-1.155
C3	-0.754	0.000	-1.155
C4	0.000	1.273	0.971
C5	0.000	-1.273	0.971
H6	1.266	0.912	-1.454
H7	1.266	-0.912	-1.454
H8	-1.266	-0.912	-1.454
H9	-1.266	0.912	-1.454
H10	-0.886	1.328	1.616
H11	-0.886	-1.328	1.616
H12	0.886	-1.328	1.616
H13	0.886	1.328	1.616
H14	0.000	2.163	0.330
H15	0.000	-2.163	0.330

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5079	1.5079	1.5144	1.5144	2.2380	2.2380	2.2380	2.2380	2.1670	2.1670	2.1670	2.1670	2.1704	2.1704
C2	1.5079		1.5082	2.5900	2.5900	1.0876	1.0876	2.2363	2.2363	3.4833	3.4833	3.0758	3.0758	2.7300	2.7300
C3	1.5079	1.5082		2.5900	2.5900	2.2363	2.2363	1.0876	1.0876	3.0758	3.0758	3.4833	3.4833	2.7300	2.7300
C4	1.5144	2.5900	2.5900		2.5468	2.7587	3.5008	3.5008	2.7587	1.0978	2.8227	2.8227	1.0978	1.0960	3.4955
C5	1.5144	2.5900	2.5900	2.5468		3.5008	2.7587	2.7587	3.5008	2.8227	1.0978	1.0978	2.8227	3.4955	1.0960
H6	2.2380	1.0876	2.2363	2.7587	3.5008		1.8241	3.1202	2.5315	3.7722	4.3672	3.8192	3.1214	2.5199	3.7737
H7	2.2380	1.0876	2.2363	3.5008	2.7587	1.8241		2.5315	3.1202	4.3672	3.7722	3.1214	3.8192	3.7737	2.5199
H8	2.2380	2.2363	1.0876	3.5008	2.7587	3.1202	2.5315		1.8241	3.8192	3.1214	3.7722	4.3672	3.7737	2.5199
H9	2.2380	2.2363	1.0876	2.7587	3.5008	2.5315	3.1202	1.8241		3.1214	3.8192	4.3672	3.7722	2.5199	3.7737
H10	2.1670	3.4833	3.0758	1.0978	2.8227	3.7722	4.3672	3.8192	3.1214		2.6553	3.1924	1.7722	1.7711	3.8241
H11	2.1670	3.4833	3.0758	2.8227	1.0978	4.3672	3.7722	3.1214	3.8192	2.6553		1.7722	3.1924	3.8241	1.7711
H12	2.1670	3.0758	3.4833	2.8227	1.0978	3.8192	3.1214	3.7722	4.3672	3.1924	1.7722		2.6553	3.8241	1.7711
H13	2.1670	3.0758	3.4833	1.0978	2.8227	3.1214	3.8192	4.3672	3.7722	1.7722	3.1924	2.6553		1.7711	3.8241
H14	2.1704	2.7300	2.7300	1.0960	3.4955	2.5199	3.7737	3.7737	2.5199	1.7711	3.8241	3.8241	1.7711		4.3259
H15	2.1704	2.7300	2.7300	3.4955	1.0960	3.7737	2.5199	2.5199	3.7737	3.8241	1.7711	1.7711	3.8241	4.3259

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.993	C1	C2	H6	118.241
C1	C2	H7	118.241	C1	C3	C2	59.993
C1	C3	H8	118.241	C1	C3	H9	118.241
C1	C4	H10	111.099	C1	C4	H13	111.099
C1	C4	H14	111.483	C1	C5	H11	111.099
C1	C5	H12	111.099	C1	C5	H15	111.483
C2	C1	C3	60.014	C2	C1	C4	117.953
C2	C1	C5	117.953	C2	C3	H8	118.061
C2	C3	H9	118.061	C3	C1	C4	117.953
C3	C1	C5	117.953	C3	C2	H6	118.061
C3	C2	H7	118.061	C4	C1	C5	114.457
H6	C2	H7	113.981	H8	C3	H9	113.981
H10	C4	H13	107.638	H10	C4	H14	107.670
H11	C5	H12	107.638	H11	C5	H15	107.670
H12	C5	H15	107.670	H13	C4	H14	107.670

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

using model chemistry: B3PW91/6-31G*

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	ESP
1	C	0.102	0.434
2	C	-0.367	-0.355
3	C	-0.367	-0.347
4	C	-0.519	-0.624
5	C	-0.519	-0.624
6	H	0.171	0.135
7	H	0.171	0.135
8	H	0.171	0.133
9	H	0.171	0.133
10	H	0.166	0.158
11	H	0.166	0.158
12	H	0.161	0.159
13	H	0.166	0.159
14	H	0.161	0.173
15	H	0.166	0.173

<r²>	122.584
(<r²>)^1/2	11.072

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

using model chemistry: B3PW91/6-31G*

States and conformations

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