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	hartrees
Energy at 0K	-195.389827
Energy at 298.15K	-195.400598
Nuclear repulsion energy	183.735086

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3166	3043	7.45
2	A	3121	3000	30.92
3	A	3043	2925	31.49
4	A	1566	1505	4.41
5	A	1529	1470	4.70
6	A	1462	1405	1.06
7	A	1358	1306	1.87
8	A	1089	1046	2.35
9	A	1066	1024	26.10
10	A	940	904	11.80
11	A	678	651	1.95
12	A	349	335	0.02
13	A	3244	3118	0.00
14	A	3103	2983	0.00
15	A	1539	1479	0.00
16	A	1195	1149	0.00
17	A	1091	1049	0.00
18	A	916	881	0.00
19	A	335	322	0.00
20	A	217	208	0.00
21	A	3160	3037	15.35
22	A	3107	2986	49.80
23	A	1559	1498	8.80
24	A	1505	1447	7.42
25	A	1193	1146	12.90
26	A	1098	1055	1.84
27	A	846	813	4.91
28	A	384	369	2.77
29	A	241	232	0.05
30	A	3260	3133	15.26
31	A	3118	2997	14.48
32	A	3039	2921	27.87
33	A	1550	1490	7.16
34	A	1448	1392	15.42
35	A	1338	1286	2.89
36	A	1006	967	0.60
37	A	959	922	1.17
38	A	801	770	0.02
39	A	350	336	0.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.156
C2	0.764	0.000	-1.159
C3	-0.764	0.000	-1.159
C4	0.000	1.279	0.972
C5	0.000	-1.279	0.972
H6	1.268	0.916	-1.449
H7	1.268	-0.916	-1.449
H8	-1.268	-0.916	-1.449
H9	-1.268	0.916	-1.449
H10	-0.890	1.325	1.614
H11	-0.890	-1.325	1.614
H12	0.890	-1.325	1.614
H13	0.890	1.325	1.614
H14	0.000	2.161	0.321
H15	0.000	-2.161	0.321

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5207	1.5207	1.5170	1.5170	2.2416	2.2416	2.2416	2.2416	2.1618	2.1618	2.1618	2.1618	2.1678	2.1678
C2	1.5207		1.5290	2.5999	2.5999	1.0852	1.0852	2.2485	2.2485	3.4899	3.4899	3.0754	3.0754	2.7288	2.7288
C3	1.5207	1.5290		2.5999	2.5999	2.2485	2.2485	1.0852	1.0852	3.0754	3.0754	3.4899	3.4899	2.7288	2.7288
C4	1.5170	2.5999	2.5999		2.5576	2.7574	3.5057	3.5057	2.7574	1.0981	2.8257	2.8257	1.0981	1.0966	3.5013
C5	1.5170	2.5999	2.5999	2.5576		3.5057	2.7574	2.7574	3.5057	2.8257	1.0981	1.0981	2.8257	3.5013	1.0966
H6	2.2416	1.0852	2.2485	2.7574	3.5057		1.8324	3.1291	2.5364	3.7693	4.3663	3.8144	3.1134	2.5089	3.7704
H7	2.2416	1.0852	2.2485	3.5057	2.7574	1.8324		2.5364	3.1291	4.3663	3.7693	3.1134	3.8144	3.7704	2.5089
H8	2.2416	2.2485	1.0852	3.5057	2.7574	3.1291	2.5364		1.8324	3.8144	3.1134	3.7693	4.3663	3.7704	2.5089
H9	2.2416	2.2485	1.0852	2.7574	3.5057	2.5364	3.1291	1.8324		3.1134	3.8144	4.3663	3.7693	2.5089	3.7704
H10	2.1618	3.4899	3.0754	1.0981	2.8257	3.7693	4.3663	3.8144	3.1134		2.6505	3.1927	1.7798	1.7781	3.8236
H11	2.1618	3.4899	3.0754	2.8257	1.0981	4.3663	3.7693	3.1134	3.8144	2.6505		1.7798	3.1927	3.8236	1.7781
H12	2.1618	3.0754	3.4899	2.8257	1.0981	3.8144	3.1134	3.7693	4.3663	3.1927	1.7798		2.6505	3.8236	1.7781
H13	2.1618	3.0754	3.4899	1.0981	2.8257	3.1134	3.8144	4.3663	3.7693	1.7798	3.1927	2.6505		1.7781	3.8236
H14	2.1678	2.7288	2.7288	1.0966	3.5013	2.5089	3.7704	3.7704	2.5089	1.7781	3.8236	3.8236	1.7781		4.3229
H15	2.1678	2.7288	2.7288	3.5013	1.0966	3.7704	2.5089	2.5089	3.7704	3.8236	1.7781	1.7781	3.8236	4.3229

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.821	C1	C2	H6	117.706
C1	C2	H7	117.706	C1	C3	C2	59.821
C1	C3	H8	117.706	C1	C3	H9	117.706
C1	C4	H10	110.489	C1	C4	H13	110.489
C1	C4	H14	111.055	C1	C5	H11	110.489
C1	C5	H12	110.489	C1	C5	H15	111.055
C2	C1	C3	60.358	C2	C1	C4	117.713
C2	C1	C5	117.713	C2	C3	H8	117.656
C2	C3	H9	117.656	C3	C1	C4	117.713
C3	C1	C5	117.713	C3	C2	H6	117.656
C3	C2	H7	117.656	C4	C1	C5	114.910
H6	C2	H7	115.186	H8	C3	H9	115.186
H10	C4	H13	108.272	H10	C4	H14	108.221
H11	C5	H12	108.272	H11	C5	H15	108.221
H12	C5	H15	108.221	H13	C4	H14	108.221

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

using model chemistry: B3PW91/3-21G

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	-0.145
2	C	-0.399
3	C	-0.399
4	C	-0.589
5	C	-0.589
6	H	0.219
7	H	0.219
8	H	0.219
9	H	0.219
10	H	0.210
11	H	0.210
12	H	0.209
13	H	0.204
14	H	0.204
15	H	0.210

<r²>	123.129
(<r²>)^1/2	11.096

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

using model chemistry: B3PW91/3-21G

States and conformations

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