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	hartrees
Energy at 0K	-196.471705
Energy at 298.15K	-196.482320
Nuclear repulsion energy	183.278174

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3047	3038	14.53
2	A	3009	3000	39.48
3	A	2944	2935	53.14
4	A	1478	1473	0.44
5	A	1467	1462	4.43
6	A	1388	1384	0.01
7	A	1302	1298	2.36
8	A	1051	1048	0.18
9	A	1008	1005	11.07
10	A	906	903	7.89
11	A	659	657	1.15
12	A	344	343	0.05
13	A	3112	3103	0.00
14	A	2983	2974	0.00
15	A	1448	1444	0.00
16	A	1158	1154	0.00
17	A	1039	1036	0.00
18	A	879	876	0.00
19	A	322	321	0.00
20	A	208	207	0.00
21	A	3043	3034	31.39
22	A	2986	2977	70.11
23	A	1466	1462	5.77
24	A	1439	1435	3.37
25	A	1124	1120	3.44
26	A	1039	1036	0.66
27	A	808	805	5.69
28	A	386	385	0.94
29	A	232	231	0.00
30	A	3126	3117	30.90
31	A	3007	2998	22.60
32	A	2938	2930	35.58
33	A	1461	1456	4.26
34	A	1374	1370	4.77
35	A	1271	1267	2.26
36	A	951	948	0.23
37	A	916	913	0.17
38	A	773	771	0.00
39	A	353	352	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.151
C2	0.761	0.000	-1.163
C3	-0.761	0.000	-1.163
C4	0.000	1.282	0.978
C5	0.000	-1.282	0.978
H6	1.271	0.913	-1.464
H7	1.271	-0.913	-1.464
H8	-1.271	-0.913	-1.464
H9	-1.271	0.913	-1.464
H10	-0.887	1.334	1.625
H11	-0.887	-1.334	1.625
H12	0.887	-1.334	1.625
H13	0.887	1.334	1.625
H14	0.000	2.173	0.338
H15	0.000	-2.173	0.338

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5190	1.5190	1.5249	1.5249	2.2488	2.2488	2.2488	2.2488	2.1768	2.1768	2.1768	2.1768	2.1809	2.1809
C2	1.5190		1.5227	2.6086	2.6086	1.0880	1.0880	2.2480	2.2480	3.5030	3.5030	3.0934	3.0934	2.7486	2.7486
C3	1.5190	1.5227		2.6086	2.6086	2.2480	2.2480	1.0880	1.0880	3.0934	3.0934	3.5030	3.5030	2.7486	2.7486
C4	1.5249	2.6086	2.6086		2.5631	2.7769	3.5202	3.5202	2.7769	1.0995	2.8370	2.8370	1.0995	1.0970	3.5132
C5	1.5249	2.6086	2.6086	2.5631		3.5202	2.7769	2.7769	3.5202	2.8370	1.0995	1.0995	2.8370	3.5132	1.0970
H6	2.2488	1.0880	2.2480	2.7769	3.5202		1.8263	3.1296	2.5415	3.7913	4.3872	3.8390	3.1408	2.5394	3.7928
H7	2.2488	1.0880	2.2480	3.5202	2.7769	1.8263		2.5415	3.1296	4.3872	3.7913	3.1408	3.8390	3.7928	2.5394
H8	2.2488	2.2480	1.0880	3.5202	2.7769	3.1296	2.5415		1.8263	3.8390	3.1408	3.7913	4.3872	3.7928	2.5394
H9	2.2488	2.2480	1.0880	2.7769	3.5202	2.5415	3.1296	1.8263		3.1408	3.8390	4.3872	3.7913	2.5394	3.7928
H10	2.1768	3.5030	3.0934	1.0995	2.8370	3.7913	4.3872	3.8390	3.1408		2.6684	3.2045	1.7743	1.7738	3.8396
H11	2.1768	3.5030	3.0934	2.8370	1.0995	4.3872	3.7913	3.1408	3.8390	2.6684		1.7743	3.2045	3.8396	1.7738
H12	2.1768	3.0934	3.5030	2.8370	1.0995	3.8390	3.1408	3.7913	4.3872	3.2045	1.7743		2.6684	3.8396	1.7738
H13	2.1768	3.0934	3.5030	1.0995	2.8370	3.1408	3.8390	4.3872	3.7913	1.7743	3.2045	2.6684		1.7738	3.8396
H14	2.1809	2.7486	2.7486	1.0970	3.5132	2.5394	3.7928	3.7928	2.5394	1.7738	3.8396	3.8396	1.7738		4.3458
H15	2.1809	2.7486	2.7486	3.5132	1.0970	3.7928	2.5394	2.5394	3.7928	3.8396	1.7738	1.7738	3.8396	4.3458

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.920	C1	C2	H6	118.279
C1	C2	H7	118.279	C1	C3	C2	59.920
C1	C3	H8	118.279	C1	C3	H9	118.279
C1	C4	H10	111.056	C1	C4	H13	111.056
C1	C4	H14	111.530	C1	C5	H11	111.056
C1	C5	H12	111.056	C1	C5	H15	111.530
C2	C1	C3	60.160	C2	C1	C4	117.964
C2	C1	C5	117.964	C2	C3	H8	117.918
C2	C3	H9	117.918	C3	C1	C4	117.964
C3	C1	C5	117.964	C3	C2	H6	117.918
C3	C2	H7	117.918	C4	C1	C5	114.375
H6	C2	H7	114.134	H8	C3	H9	114.134
H10	C4	H13	107.591	H10	C4	H14	107.715
H11	C5	H12	107.591	H11	C5	H15	107.715
H12	C5	H15	107.715	H13	C4	H14	107.715

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

using model chemistry: BLYP/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	0.216
2	C	-0.215
3	C	-0.215
4	C	-0.286
5	C	-0.286
6	H	0.078
7	H	0.078
8	H	0.078
9	H	0.078
10	H	0.080
11	H	0.080
12	H	0.080
13	H	0.080
14	H	0.076
15	H	0.076

<r²>	124.693
(<r²>)^1/2	11.167

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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