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	hartrees
Energy at 0K	-196.398648
Energy at 298.15K	-196.409303
HF Energy	-196.398648
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3083	3023	18.85
2	A₁	3057	2997	46.69
3	A₁	2976	2918	52.71
4	A₁	1516	1486	0.11
5	A₁	1502	1473	3.68
6	A₁	1421	1393	0.46
7	A₁	1345	1319	2.10
8	A₁	1084	1062	0.65
9	A₁	1023	1003	7.27
10	A₁	946	928	11.34
11	A₁	685	672	1.02
12	A₁	348	342	0.01
13	A₂	3153	3091	0.00
14	A₂	3035	2976	0.00
15	A₂	1483	1454	0.00
16	A₂	1177	1154	0.00
17	A₂	1059	1038	0.00
18	A₂	890	873	0.00
19	A₂	326	320	0.00
20	A₂	209	205	0.00
21	B₁	3079	3018	34.65
22	B₁	3038	2979	79.23
23	B₁	1503	1473	4.75
24	B₁	1468	1439	1.92
25	B₁	1148	1126	5.18
26	B₁	1046	1025	1.32
27	B₁	856	839	4.65
28	B₁	385	378	1.08
29	B₁	238	234	0.01
30	B₂	3168	3106	37.12
31	B₂	3054	2994	23.06
32	B₂	2971	2912	43.93
33	B₂	1496	1467	4.20
34	B₂	1407	1380	3.06
35	B₂	1306	1281	2.39
36	B₂	966	947	0.29
37	B₂	941	923	0.60
38	B₂	782	767	0.06
39	B₂	358	351	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.150
C2	0.757	0.000	-1.159
C3	-0.757	0.000	-1.159
C4	0.000	1.278	0.974
C5	0.000	-1.278	0.974
H6	1.271	0.916	-1.458
H7	1.271	-0.916	-1.458
H8	-1.271	-0.916	-1.458
H9	-1.271	0.916	-1.458
H10	-0.890	1.329	1.622
H11	-0.890	-1.329	1.622
H12	0.890	-1.329	1.622
H13	0.890	1.329	1.622
H14	0.000	2.170	0.331
H15	0.000	-2.170	0.331

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5127	1.5127	1.5205	1.5205	2.2447	2.2447	2.2447	2.2447	2.1739	2.1739	2.1739	2.1739	2.1778	2.1778
C2	1.5127		1.5147	2.5996	2.5996	1.0914	1.0914	2.2452	2.2452	3.4953	3.4953	3.0855	3.0855	2.7396	2.7396
C3	1.5127	1.5147		2.5996	2.5996	2.2452	2.2452	1.0914	1.0914	3.0855	3.0855	3.4953	3.4953	2.7396	2.7396
C4	1.5205	2.5996	2.5996		2.5556	2.7677	3.5129	3.5129	2.7677	1.1020	2.8302	2.8302	1.1020	1.1000	3.5076
C5	1.5205	2.5996	2.5996	2.5556		3.5129	2.7677	2.7677	3.5129	2.8302	1.1020	1.1020	2.8302	3.5076	1.1000
H6	2.2447	1.0914	2.2452	2.7677	3.5129		1.8315	3.1327	2.5416	3.7848	4.3812	3.8302	3.1306	2.5276	3.7866
H7	2.2447	1.0914	2.2452	3.5129	2.7677	1.8315		2.5416	3.1327	4.3812	3.7848	3.1306	3.8302	3.7866	2.5276
H8	2.2447	2.2452	1.0914	3.5129	2.7677	3.1327	2.5416		1.8315	3.8302	3.1306	3.7848	4.3812	3.7866	2.5276
H9	2.2447	2.2452	1.0914	2.7677	3.5129	2.5416	3.1327	1.8315		3.1306	3.8302	4.3812	3.7848	2.5276	3.7866
H10	2.1739	3.4953	3.0855	1.1020	2.8302	3.7848	4.3812	3.8302	3.1306		2.6589	3.1998	1.7801	1.7791	3.8349
H11	2.1739	3.4953	3.0855	2.8302	1.1020	4.3812	3.7848	3.1306	3.8302	2.6589		1.7801	3.1998	3.8349	1.7791
H12	2.1739	3.0855	3.4953	2.8302	1.1020	3.8302	3.1306	3.7848	4.3812	3.1998	1.7801		2.6589	3.8349	1.7791
H13	2.1739	3.0855	3.4953	1.1020	2.8302	3.1306	3.8302	4.3812	3.7848	1.7801	3.1998	2.6589		1.7791	3.8349
H14	2.1778	2.7396	2.7396	1.1000	3.5076	2.5276	3.7866	3.7866	2.5276	1.7791	3.8349	3.8349	1.7791		4.3406
H15	2.1778	2.7396	2.7396	3.5076	1.1000	3.7866	2.5276	2.5276	3.7866	3.8349	1.7791	1.7791	3.8349	4.3406

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.977	C1	C2	H6	118.257
C1	C2	H7	118.257	C1	C3	C2	59.977
C1	C3	H8	118.257	C1	C3	H9	118.257
C1	C4	H10	111.012	C1	C4	H13	111.012
C1	C4	H14	111.484	C1	C5	H11	111.012
C1	C5	H12	111.012	C1	C5	H15	111.484
C2	C1	C3	60.047	C2	C1	C4	117.961
C2	C1	C5	117.961	C2	C3	H8	117.966
C2	C3	H9	117.966	C3	C1	C4	117.961
C3	C1	C5	117.961	C3	C2	H6	117.966
C3	C2	H7	117.966	C4	C1	C5	114.423
H6	C2	H7	114.083	H8	C3	H9	114.083
H10	C4	H13	107.690	H10	C4	H14	107.737
H11	C5	H12	107.690	H11	C5	H15	107.737
H12	C5	H15	107.737	H13	C4	H14	107.737

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

using model chemistry: B97D3/6-31G*

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
1	C	0.128
2	C	-0.328
3	C	-0.328
4	C	-0.470
5	C	-0.470
6	H	0.149
7	H	0.149
8	H	0.149
9	H	0.149
10	H	0.146
11	H	0.146
12	H	0.146
13	H	0.146
14	H	0.143
15	H	0.143

<r²>	123.383
(<r²>)^1/2	11.108

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

using model chemistry: B97D3/6-31G*

States and conformations

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