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	hartrees
Energy at 0K	-195.206541
Energy at 298.15K	-195.217676
HF Energy	-195.206541
Nuclear repulsion energy	185.475211

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3265	2959	15.46
2	A₁	3218	2917	50.85
3	A₁	3152	2857	53.89
4	A₁	1648	1494	1.09
5	A₁	1623	1471	5.48
6	A₁	1549	1404	0.00
7	A₁	1458	1321	1.70
8	A₁	1171	1062	1.18
9	A₁	1150	1042	3.89
10	A₁	1009	915	15.55
11	A₁	726	658	2.46
12	A₁	376	340	0.09
13	A₂	3329	3017	0.00
14	A₂	3194	2895	0.00
15	A₂	1599	1450	0.00
16	A₂	1286	1166	0.00
17	A₂	1155	1047	0.00
18	A₂	975	884	0.00
19	A₂	356	323	0.00
20	A₂	232	211	0.00
21	B₁	3256	2952	34.66
22	B₁	3200	2900	90.73
23	B₁	1618	1467	5.09
24	B₁	1592	1443	4.21
25	B₁	1260	1142	4.80
26	B₁	1196	1084	0.12
27	B₁	919	833	11.48
28	B₁	427	387	0.91
29	B₁	265	240	0.00
30	B₂	3345	3032	39.49
31	B₂	3215	2914	28.47
32	B₂	3145	2851	37.15
33	B₂	1610	1460	3.84
34	B₂	1539	1395	5.70
35	B₂	1421	1288	1.01
36	B₂	1052	953	0.37
37	B₂	1014	919	0.18
38	B₂	847	767	0.02
39	B₂	386	350	0.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.148
C2	0.751	0.000	-1.148
C3	-0.751	0.000	-1.148
C4	0.000	1.272	0.966
C5	0.000	-1.272	0.966
H6	1.252	0.900	-1.448
H7	1.252	-0.900	-1.448
H8	-1.252	-0.900	-1.448
H9	-1.252	0.900	-1.448
H10	-0.876	1.324	1.604
H11	-0.876	-1.324	1.604
H12	0.876	-1.324	1.604
H13	0.876	1.324	1.604
H14	0.000	2.151	0.334
H15	0.000	-2.151	0.334

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.4973	1.4973	1.5126	1.5126	2.2189	2.2189	2.2189	2.2189	2.1540	2.1540	2.1540	2.1540	2.1594	2.1594
C2	1.4973		1.5023	2.5787	2.5787	1.0731	1.0731	2.2165	2.2165	3.4598	3.4598	3.0558	3.0558	2.7181	2.7181
C3	1.4973	1.5023		2.5787	2.5787	2.2165	2.2165	1.0731	1.0731	3.0558	3.0558	3.4598	3.4598	2.7181	2.7181
C4	1.5126	2.5787	2.5787		2.5442	2.7445	3.4805	3.4805	2.7445	1.0849	2.8128	2.8128	1.0849	1.0827	3.4812
C5	1.5126	2.5787	2.5787	2.5442		3.4805	2.7445	2.7445	3.4805	2.8128	1.0849	1.0849	2.8128	3.4812	1.0827
H6	2.2189	1.0731	2.2165	2.7445	3.4805		1.8008	3.0840	2.5036	3.7444	4.3344	3.7948	3.1038	2.5116	3.7492
H7	2.2189	1.0731	2.2165	3.4805	2.7445	1.8008		2.5036	3.0840	4.3344	3.7444	3.1038	3.7948	3.7492	2.5116
H8	2.2189	2.2165	1.0731	3.4805	2.7445	3.0840	2.5036		1.8008	3.7948	3.1038	3.7444	4.3344	3.7492	2.5116
H9	2.2189	2.2165	1.0731	2.7445	3.4805	2.5036	3.0840	1.8008		3.1038	3.7948	4.3344	3.7444	2.5116	3.7492
H10	2.1540	3.4598	3.0558	1.0849	2.8128	3.7444	4.3344	3.7948	3.1038		2.6471	3.1745	1.7521	1.7506	3.8019
H11	2.1540	3.4598	3.0558	2.8128	1.0849	4.3344	3.7444	3.1038	3.7948	2.6471		1.7521	3.1745	3.8019	1.7506
H12	2.1540	3.0558	3.4598	2.8128	1.0849	3.7948	3.1038	3.7444	4.3344	3.1745	1.7521		2.6471	3.8019	1.7506
H13	2.1540	3.0558	3.4598	1.0849	2.8128	3.1038	3.7948	4.3344	3.7444	1.7521	3.1745	2.6471		1.7506	3.8019
H14	2.1594	2.7181	2.7181	1.0827	3.4812	2.5116	3.7492	3.7492	2.5116	1.7506	3.8019	3.8019	1.7506		4.3027
H15	2.1594	2.7181	2.7181	3.4812	1.0827	3.7492	2.5116	2.5116	3.7492	3.8019	1.7506	1.7506	3.8019	4.3027

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.889	C1	C2	H6	118.437
C1	C2	H7	118.437	C1	C3	C2	59.889
C1	C3	H8	118.437	C1	C3	H9	118.437
C1	C4	H10	110.978	C1	C4	H13	110.978
C1	C4	H14	111.548	C1	C5	H11	110.978
C1	C5	H12	110.978	C1	C5	H15	111.548
C2	C1	C3	60.223	C2	C1	C4	117.905
C2	C1	C5	117.905	C2	C3	H8	117.809
C2	C3	H9	117.809	C3	C1	C4	117.905
C3	C1	C5	117.905	C3	C2	H6	117.809
C3	C2	H7	117.809	C4	C1	C5	114.493
H6	C2	H7	114.079	H8	C3	H9	114.079
H10	C4	H13	107.706	H10	C4	H14	107.730
H11	C5	H12	107.706	H11	C5	H15	107.730
H12	C5	H15	107.730	H13	C4	H14	107.730

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

using model chemistry: HF/Def2TZVPP

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	0.182
2	C	-0.153
3	C	-0.153
4	C	-0.184
5	C	-0.184
6	H	0.041
7	H	0.041
8	H	0.041
9	H	0.041
10	H	0.056
11	H	0.056
12	H	0.056
13	H	0.056
14	H	0.051
15	H	0.051

<r²>	122.026
(<r²>)^1/2	11.047

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

using model chemistry: HF/Def2TZVPP

States and conformations

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