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	hartrees
Energy at 0K	-195.202552
Energy at 298.15K	-195.213674
HF Energy	-195.202552
Nuclear repulsion energy	185.462646

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3262	2951	15.14
2	A₁	3215	2908	51.26
3	A₁	3149	2848	54.15
4	A₁	1647	1490	1.03
5	A₁	1622	1467	5.56
6	A₁	1549	1401	0.00
7	A₁	1458	1319	1.78
8	A₁	1171	1059	1.01
9	A₁	1149	1039	4.02
10	A₁	1009	913	15.67
11	A₁	726	656	2.43
12	A₁	375	339	0.08
13	A₂	3326	3008	0.00
14	A₂	3190	2886	0.00
15	A₂	1599	1446	0.00
16	A₂	1285	1163	0.00
17	A₂	1155	1045	0.00
18	A₂	974	881	0.00
19	A₂	355	322	0.00
20	A₂	232	210	0.00
21	B₁	3253	2943	34.91
22	B₁	3196	2891	90.73
23	B₁	1618	1464	5.26
24	B₁	1590	1439	4.19
25	B₁	1260	1140	4.54
26	B₁	1194	1080	0.11
27	B₁	919	831	11.23
28	B₁	427	386	0.89
29	B₁	265	239	0.00
30	B₂	3341	3023	39.81
31	B₂	3212	2905	28.18
32	B₂	3142	2843	36.97
33	B₂	1610	1456	3.82
34	B₂	1539	1392	5.58
35	B₂	1420	1285	1.01
36	B₂	1052	952	0.39
37	B₂	1013	917	0.18
38	B₂	845	764	0.01
39	B₂	386	349	0.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.146
C2	0.752	0.000	-1.147
C3	-0.752	0.000	-1.147
C4	0.000	1.271	0.966
C5	0.000	-1.271	0.966
H6	1.254	0.901	-1.446
H7	1.254	-0.901	-1.446
H8	-1.254	-0.901	-1.446
H9	-1.254	0.901	-1.446
H10	-0.877	1.320	1.604
H11	-0.877	-1.320	1.604
H12	0.877	-1.320	1.604
H13	0.877	1.320	1.604
H14	0.000	2.150	0.333
H15	0.000	-2.150	0.333

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.4959	1.4959	1.5127	1.5127	2.2179	2.2179	2.2179	2.2179	2.1536	2.1536	2.1536	2.1536	2.1579	2.1579
C2	1.4959		1.5035	2.5784	2.5784	1.0741	1.0741	2.2192	2.2192	3.4591	3.4591	3.0541	3.0541	2.7161	2.7161
C3	1.4959	1.5035		2.5784	2.5784	2.2192	2.2192	1.0741	1.0741	3.0541	3.0541	3.4591	3.4591	2.7161	2.7161
C4	1.5127	2.5784	2.5784		2.5419	2.7438	3.4799	3.4799	2.7438	1.0855	2.8091	2.8091	1.0855	1.0834	3.4789
C5	1.5127	2.5784	2.5784	2.5419		3.4799	2.7438	2.7438	3.4799	2.8091	1.0855	1.0855	2.8091	3.4789	1.0834
H6	2.2179	1.0741	2.2192	2.7438	3.4799		1.8023	3.0886	2.5082	3.7442	4.3334	3.7918	3.1013	2.5090	3.7476
H7	2.2179	1.0741	2.2192	3.4799	2.7438	1.8023		2.5082	3.0886	4.3334	3.7442	3.1013	3.7918	3.7476	2.5090
H8	2.2179	2.2192	1.0741	3.4799	2.7438	3.0886	2.5082		1.8023	3.7918	3.1013	3.7442	4.3334	3.7476	2.5090
H9	2.2179	2.2192	1.0741	2.7438	3.4799	2.5082	3.0886	1.8023		3.1013	3.7918	4.3334	3.7442	2.5090	3.7476
H10	2.1536	3.4591	3.0541	1.0855	2.8091	3.7442	4.3334	3.7918	3.1013		2.6407	3.1704	1.7544	1.7530	3.7983
H11	2.1536	3.4591	3.0541	2.8091	1.0855	4.3334	3.7442	3.1013	3.7918	2.6407		1.7544	3.1704	3.7983	1.7530
H12	2.1536	3.0541	3.4591	2.8091	1.0855	3.7918	3.1013	3.7442	4.3334	3.1704	1.7544		2.6407	3.7983	1.7530
H13	2.1536	3.0541	3.4591	1.0855	2.8091	3.1013	3.7918	4.3334	3.7442	1.7544	3.1704	2.6407		1.7530	3.7983
H14	2.1579	2.7161	2.7161	1.0834	3.4789	2.5090	3.7476	3.7476	2.5090	1.7530	3.7983	3.7983	1.7530		4.2995
H15	2.1579	2.7161	2.7161	3.4789	1.0834	3.7476	2.5090	2.5090	3.7476	3.7983	1.7530	1.7530	3.7983	4.2995

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.832	C1	C2	H6	118.386
C1	C2	H7	118.386	C1	C3	C2	59.832
C1	C3	H8	118.386	C1	C3	H9	118.386
C1	C4	H10	110.897	C1	C4	H13	110.897
C1	C4	H14	111.368	C1	C5	H11	110.897
C1	C5	H12	110.897	C1	C5	H15	111.368
C2	C1	C3	60.336	C2	C1	C4	117.960
C2	C1	C5	117.960	C2	C3	H8	117.887
C2	C3	H9	117.887	C3	C1	C4	117.960
C3	C1	C5	117.960	C3	C2	H6	117.887
C3	C2	H7	117.887	C4	C1	C5	114.319
H6	C2	H7	114.072	H8	C3	H9	114.072
H10	C4	H13	107.828	H10	C4	H14	107.850
H11	C5	H12	107.828	H11	C5	H15	107.850
H12	C5	H15	107.850	H13	C4	H14	107.850

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

using model chemistry: HF/daug-cc-pVTZ

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	3.401
2	C	-1.738
3	C	-1.738
4	C	-1.655
5	C	-1.655
6	H	0.459
7	H	0.459
8	H	0.459
9	H	0.459
10	H	0.222
11	H	0.222
12	H	0.222
13	H	0.222
14	H	0.330
15	H	0.330

<r²>	122.030
(<r²>)^1/2	11.047

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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