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	hartrees
Energy at 0K	-34.182173
Energy at 298.15K	-34.192757
Nuclear repulsion energy	101.696507

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3235	3132	68.78
2	A	3211	3109	0.00
3	A	3136	3037	20.97
4	A	3127	3028	43.20
5	A	3109	3011	76.71
6	A	3104	3006	33.95
7	A	3095	2997	124.85
8	A	3089	2991	0.00
9	A	3019	2924	60.56
10	A	3015	2920	52.91
11	A	1522	1474	0.13
12	A	1511	1463	9.77
13	A	1505	1457	10.79
14	A	1501	1453	6.60
15	A	1495	1448	0.00
16	A	1470	1423	6.07
17	A	1434	1389	0.74
18	A	1422	1377	13.06
19	A	1361	1318	2.64
20	A	1324	1282	3.03
21	A	1161	1124	0.00
22	A	1159	1123	16.81
23	A	1080	1046	2.41
24	A	1073	1039	1.51
25	A	1061	1027	0.00
26	A	1047	1014	17.99
27	A	970	939	1.34
28	A	944	915	1.11
29	A	932	902	18.27
30	A	886	858	0.00
31	A	824	798	9.63
32	A	783	758	0.74
33	A	664	643	3.32
34	A	385	373	2.72
35	A	342	332	0.59
36	A	341	330	0.00
37	A	318	308	0.00
38	A	222	215	0.03
39	A	195	189	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.141	-0.000	-0.000
C2	-1.195	-0.000	0.777
C3	-1.195	-0.000	-0.777
C4	0.977	-1.294	-0.000
C5	0.976	1.294	0.000
H6	-1.498	-0.919	1.289
H7	-1.499	0.918	1.289
H8	-1.499	0.918	-1.289
H9	-1.499	-0.918	-1.289
H10	1.627	-1.340	-0.894
H11	1.626	1.341	-0.894
H12	1.627	-1.341	0.894
H13	0.335	-2.193	-0.001
H14	0.335	2.193	0.001
H15	1.627	1.341	0.894

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5453	1.5453	1.5405	1.5405	2.2785	2.2786	2.2785	2.2786	2.1920	2.1920	2.1920	2.2015	2.2015	2.1920
C2	1.5453		1.5548	2.6445	2.6445	1.0941	1.0941	2.2814	2.2814	3.5430	3.5428	3.1258	2.7846	2.7843	3.1263
C3	1.5453	1.5548		2.6446	2.6445	2.2813	2.2815	1.0941	1.0941	3.1263	3.1257	3.5429	2.7845	2.7845	3.5429
C4	1.5405	2.6445	2.6446		2.5879	2.8157	3.5611	3.5611	2.8161	1.1064	2.8574	1.1064	1.1044	3.5454	2.8570
C5	1.5405	2.6445	2.6445	2.5879		3.5611	2.8159	2.8156	3.5610	2.8570	1.1064	2.8574	3.5454	1.1044	1.1064
H6	2.2785	1.0941	2.2813	2.8157	3.5611		1.8363	3.1649	2.5777	3.8355	4.4311	3.1779	2.5785	3.8342	3.8766
H7	2.2786	1.0941	2.2815	3.5611	2.8159	1.8363		2.5778	3.1650	4.4312	3.8355	3.8760	3.8345	2.5783	3.1788
H8	2.2785	2.2814	1.0941	3.5611	2.8156	3.1649	2.5778		1.8363	3.8766	3.1778	4.4311	3.8343	2.5784	3.8355
H9	2.2786	2.2814	1.0941	2.8161	3.5610	2.5777	3.1650	1.8363		3.1789	3.8761	3.8356	2.5785	3.8344	4.4312
H10	2.1920	3.5430	3.1263	1.1064	2.8570	3.8355	4.4312	3.8766	3.1789		2.6814	1.7881	1.7872	3.8670	3.2222
H11	2.1920	3.5428	3.1257	2.8574	1.1064	4.4311	3.8355	3.1778	3.8761	2.6814		3.2236	3.8671	1.7872	1.7881
H12	2.1920	3.1258	3.5429	1.1064	2.8574	3.1779	3.8760	4.4311	3.8356	1.7881	3.2236		1.7872	3.8670	2.6814
H13	2.2015	2.7846	2.7845	1.1044	3.5454	2.5785	3.8345	3.8343	2.5785	1.7872	3.8671	1.7872		4.3857	3.8670
H14	2.2015	2.7843	2.7845	3.5454	1.1044	3.8342	2.5783	2.5784	3.8344	3.8670	1.7872	3.8670	4.3857		1.7872
H15	2.1920	3.1263	3.5429	2.8570	1.1064	3.8766	3.1788	3.8355	4.4312	3.2222	1.7881	2.6814	3.8670	1.7872

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.797	C1	C2	H6	118.366
C1	C2	H7	118.376	C1	C3	C2	59.797
C1	C3	H8	118.367	C1	C3	H9	118.376
C1	C4	H10	110.752	C1	C4	H13	111.624
C1	C4	H14	22.436	C1	C5	H11	110.750
C1	C5	H12	49.368	C1	C5	H15	110.752
C2	C1	C3	60.406	C2	C1	C4	117.965
C2	C1	C5	117.965	C2	C3	H8	117.872
C2	C3	H9	117.877	C3	C1	C4	117.972
C3	C1	C5	117.960	C3	C2	H6	117.869
C3	C2	H7	117.880	C4	C1	C5	114.278
H6	C2	H7	114.117	H8	C3	H9	114.117
H10	C4	H13	107.876	H10	C4	H14	98.502
H11	C5	H12	99.126	H11	C5	H15	107.811
H12	C5	H15	69.648	H13	C4	H14	134.059

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

using model chemistry: B3LYP/CEP-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
1	C	0.217
2	C	-0.467
3	C	-0.467
4	C	-0.432
5	C	-0.432
6	H	0.179
7	H	0.179
8	H	0.179
9	H	0.179
10	H	0.137
11	H	0.137
12	H	0.137
13	H	0.157
14	H	0.157
15	H	0.137

	x	y	z
x	8.174	-0.002	-0.001
y	-0.002	7.379	-0.001
z	-0.001	-0.001	7.365

<r²>	107.762
(<r²>)^1/2	10.381

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

using model chemistry: B3LYP/CEP-31G

States and conformations

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