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	hartrees
Energy at 0K	-34.232426
Energy at 298.15K	-34.242944
Nuclear repulsion energy	102.196016

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3215	3104	51.13
2	A	3194	3085	0.00
3	A	3126	3019	21.12
4	A	3120	3013	40.07
5	A	3103	2997	56.42
6	A	3100	2993	27.48
7	A	3087	2982	97.98
8	A	3083	2977	0.00
9	A	3028	2924	54.68
10	A	3024	2921	42.58
11	A	1523	1471	0.32
12	A	1499	1448	7.63
13	A	1497	1446	7.69
14	A	1489	1438	4.73
15	A	1482	1431	0.00
16	A	1456	1406	2.75
17	A	1423	1374	0.01
18	A	1414	1366	6.67
19	A	1347	1301	2.94
20	A	1307	1262	2.25
21	A	1150	1111	0.00
22	A	1140	1101	10.45
23	A	1068	1031	0.57
24	A	1048	1012	0.00
25	A	1038	1002	2.34
26	A	1013	978	9.83
27	A	953	920	1.13
28	A	938	905	0.71
29	A	934	902	17.09
30	A	863	833	0.00
31	A	842	813	8.68
32	A	765	739	0.31
33	A	671	648	2.90
34	A	374	361	1.93
35	A	335	323	0.01
36	A	331	320	0.76
37	A	317	306	0.00
38	A	228	220	0.04
39	A	201	194	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.138	-0.000	-0.000
C2	-1.182	-0.001	0.771
C3	-1.182	-0.000	-0.771
C4	0.967	-1.291	-0.000
C5	0.966	1.292	0.000
H6	-1.486	-0.922	1.280
H7	-1.487	0.919	1.281
H8	-1.487	0.921	-1.280
H9	-1.486	-0.921	-1.280
H10	1.619	-1.340	-0.893
H11	1.616	1.343	-0.894
H12	1.617	-1.342	0.894
H13	0.324	-2.188	-0.002
H14	0.322	2.188	0.001
H15	1.617	1.342	0.893

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5288	1.5288	1.5340	1.5340	2.2640	2.2642	2.2639	2.2642	2.1876	2.1875	2.1874	2.1957	2.1957	2.1876
C2	1.5288		1.5416	2.6225	2.6225	1.0953	1.0953	2.2685	2.2686	3.5223	3.5218	3.1057	2.7655	2.7648	3.1069
C3	1.5288	1.5416		2.6228	2.6224	2.2685	2.2687	1.0953	1.0953	3.1074	3.1058	3.5218	2.7650	2.7651	3.5220
C4	1.5340	2.6225	2.6228		2.5824	2.7914	3.5423	3.5425	2.7921	1.1062	2.8560	1.1062	1.1039	3.5382	2.8551
C5	1.5340	2.6225	2.6224	2.5824		3.5424	2.7917	2.7911	3.5423	2.8550	1.1062	2.8561	3.5382	1.1039	1.1062
H6	2.2640	1.0953	2.2685	2.7914	3.5424		1.8414	3.1535	2.5600	3.8123	4.4128	3.1544	2.5535	3.8175	3.8606
H7	2.2642	1.0953	2.2687	3.5423	2.7917	1.8414		2.5602	3.1537	4.4131	3.8120	3.8592	3.8183	2.5527	3.1564
H8	2.2639	2.2685	1.0953	3.5425	2.7911	3.1535	2.5602		1.8414	3.8608	3.1544	4.4128	3.8176	2.5528	3.8118
H9	2.2642	2.2686	1.0953	2.7921	3.5423	2.5600	3.1537	1.8414		3.1573	3.8596	3.8122	2.5530	3.8179	4.4130
H10	2.1876	3.5223	3.1074	1.1062	2.8550	3.8123	4.4131	3.8608	3.1573		2.6837	1.7866	1.7857	3.8642	3.2224
H11	2.1875	3.5218	3.1058	2.8560	1.1062	4.4128	3.8120	3.1544	3.8596	2.6837		3.2258	3.8643	1.7857	1.7866
H12	2.1874	3.1057	3.5218	1.1062	2.8561	3.1544	3.8592	4.4128	3.8122	1.7866	3.2258		1.7857	3.8644	2.6839
H13	2.1957	2.7655	2.7650	1.1039	3.5382	2.5535	3.8183	3.8176	2.5530	1.7857	3.8643	1.7857		4.3759	3.8644
H14	2.1957	2.7648	2.7651	3.5382	1.1039	3.8175	2.5527	2.5528	3.8179	3.8642	1.7857	3.8644	4.3759		1.7857
H15	2.1876	3.1069	3.5220	2.8551	1.1062	3.8606	3.1564	3.8118	4.4130	3.2224	1.7866	2.6839	3.8644	1.7857

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.723	C1	C2	H6	118.311
C1	C2	H7	118.332	C1	C3	C2	59.724
C1	C3	H8	118.309	C1	C3	H9	118.333
C1	C4	H10	110.862	C1	C4	H13	111.648
C1	C4	H14	22.197	C1	C5	H11	110.856
C1	C5	H12	49.200	C1	C5	H15	110.862
C2	C1	C3	60.553	C2	C1	C4	117.793
C2	C1	C5	117.791	C2	C3	H8	117.703
C2	C3	H9	117.712	C3	C1	C4	117.811
C3	C1	C5	117.780	C3	C2	H6	117.696
C3	C2	H7	117.716	C4	C1	C5	114.641
H6	C2	H7	114.405	H8	C3	H9	114.405
H10	C4	H13	107.796	H10	C4	H14	98.739
H11	C5	H12	99.332	H11	C5	H15	107.718
H12	C5	H15	69.842	H13	C4	H14	133.844

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	0.282
2	C	-0.521
3	C	-0.521
4	C	-0.451
5	C	-0.452
6	H	0.189
7	H	0.189
8	H	0.189
9	H	0.189
10	H	0.144
11	H	0.144
12	H	0.144
13	H	0.166
14	H	0.166
15	H	0.144

	x	y	z
x	8.271	0.002	0.001
y	0.002	7.577	0.004
z	0.001	0.004	7.430

<r²>	106.721
(<r²>)^1/2	10.331

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-)