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	hartrees
Energy at 0K	-195.226426
Energy at 298.15K	-195.237235
HF Energy	-195.226426
Nuclear repulsion energy	184.132566

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3180	3063	6.63
2	A₁	3134	3019	29.28
3	A₁	3054	2942	29.43
4	A₁	1569	1512	4.49
5	A₁	1534	1478	5.38
6	A₁	1466	1412	1.44
7	A₁	1372	1322	1.54
8	A₁	1097	1057	2.55
9	A₁	1072	1033	26.42
10	A₁	953	918	12.73
11	A₁	687	662	2.00
12	A₁	351	338	0.02
13	A₂	3259	3139	0.00
14	A₂	3117	3003	0.00
15	A₂	1541	1485	0.00
16	A₂	1201	1157	0.00
17	A₂	1095	1055	0.00
18	A₂	920	887	0.00
19	A₂	338	326	0.00
20	A₂	219	211	0.00
21	B₁	3174	3057	13.77
22	B₁	3121	3006	46.07
23	B₁	1562	1504	9.21
24	B₁	1509	1453	8.33
25	B₁	1200	1156	13.28
26	B₁	1106	1065	1.71
27	B₁	861	829	4.84
28	B₁	386	372	2.71
29	B₁	243	234	0.05
30	B₂	3275	3154	13.34
31	B₂	3132	3017	13.09
32	B₂	3050	2938	26.66
33	B₂	1552	1495	7.37
34	B₂	1452	1398	17.44
35	B₂	1350	1301	2.48
36	B₂	1010	973	0.71
37	B₂	968	933	1.22
38	B₂	805	775	0.02
39	B₂	352	339	0.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.155
C2	0.762	0.000	-1.154
C3	-0.762	0.000	-1.154
C4	0.000	1.273	0.968
C5	0.000	-1.273	0.968
H6	1.272	0.914	-1.441
H7	1.272	-0.914	-1.441
H8	-1.272	-0.914	-1.441
H9	-1.272	0.914	-1.441
H10	-0.890	1.318	1.609
H11	-0.890	-1.318	1.609
H12	0.890	-1.318	1.609
H13	0.890	1.318	1.609
H14	0.000	2.155	0.316
H15	0.000	-2.155	0.316

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5148	1.5148	1.5109	1.5109	2.2360	2.2360	2.2360	2.2360	2.1548	2.1548	2.1548	2.1548	2.1607	2.1607
C2	1.5148		1.5249	2.5899	2.5899	1.0849	1.0849	2.2485	2.2485	3.4788	3.4788	3.0639	3.0639	2.7178	2.7178
C3	1.5148	1.5249		2.5899	2.5899	2.2485	2.2485	1.0849	1.0849	3.0639	3.0639	3.4788	3.4788	2.7178	2.7178
C4	1.5109	2.5899	2.5899		2.5461	2.7483	3.4938	3.4938	2.7483	1.0975	2.8132	2.8132	1.0975	1.0965	3.4891
C5	1.5109	2.5899	2.5899	2.5461		3.4938	2.7483	2.7483	3.4938	2.8132	1.0975	1.0975	2.8132	3.4891	1.0965
H6	2.2360	1.0849	2.2485	2.7483	3.4938		1.8278	3.1323	2.5437	3.7604	4.3540	3.7986	3.1004	2.4992	3.7580
H7	2.2360	1.0849	2.2485	3.4938	2.7483	1.8278		2.5437	3.1323	4.3540	3.7604	3.1004	3.7986	3.7580	2.4992
H8	2.2360	2.2485	1.0849	3.4938	2.7483	3.1323	2.5437		1.8278	3.7986	3.1004	3.7604	4.3540	3.7580	2.4992
H9	2.2360	2.2485	1.0849	2.7483	3.4938	2.5437	3.1323	1.8278		3.1004	3.7986	4.3540	3.7604	2.4992	3.7580
H10	2.1548	3.4788	3.0639	1.0975	2.8132	3.7604	4.3540	3.7986	3.1004		2.6352	3.1801	1.7800	1.7787	3.8104
H11	2.1548	3.4788	3.0639	2.8132	1.0975	4.3540	3.7604	3.1004	3.7986	2.6352		1.7800	3.1801	3.8104	1.7787
H12	2.1548	3.0639	3.4788	2.8132	1.0975	3.7986	3.1004	3.7604	4.3540	3.1801	1.7800		2.6352	3.8104	1.7787
H13	2.1548	3.0639	3.4788	1.0975	2.8132	3.1004	3.7986	4.3540	3.7604	1.7800	3.1801	2.6352		1.7787	3.8104
H14	2.1607	2.7178	2.7178	1.0965	3.4891	2.4992	3.7580	3.7580	2.4992	1.7787	3.8104	3.8104	1.7787		4.3092
H15	2.1607	2.7178	2.7178	3.4891	1.0965	3.7580	2.4992	2.4992	3.7580	3.8104	1.7787	1.7787	3.8104	4.3092

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.779	C1	C2	H6	117.705
C1	C2	H7	117.705	C1	C3	C2	59.779
C1	C3	H8	117.705	C1	C3	H9	117.705
C1	C4	H10	110.398	C1	C4	H13	110.398
C1	C4	H14	110.922	C1	C5	H11	110.398
C1	C5	H12	110.398	C1	C5	H15	110.922
C2	C1	C3	60.441	C2	C1	C4	117.735
C2	C1	C5	117.735	C2	C3	H8	118.004
C2	C3	H9	118.004	C3	C1	C4	117.735
C3	C1	C5	117.735	C3	C2	H6	118.004
C3	C2	H7	118.004	C4	C1	C5	114.826
H6	C2	H7	114.778	H8	C3	H9	114.778
H10	C4	H13	108.383	H10	C4	H14	108.329
H11	C5	H12	108.383	H11	C5	H15	108.329
H12	C5	H15	108.329	H13	C4	H14	108.329

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

using model chemistry: HSEh1PBE/3-21G

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	-0.157
2	C	-0.401
3	C	-0.401
4	C	-0.593
5	C	-0.593
6	H	0.221
7	H	0.221
8	H	0.221
9	H	0.221
10	H	0.212
11	H	0.212
12	H	0.212
13	H	0.212
14	H	0.206
15	H	0.206

<r²>	122.691
(<r²>)^1/2	11.077

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

using model chemistry: HSEh1PBE/3-21G

States and conformations

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