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	hartrees
Energy at 0K	-33.150217
Energy at 298.15K	-33.161341
Nuclear repulsion energy	103.013819

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3362	3068	61.15
2	A	3346	3053	0.00
3	A	3264	2978	17.75
4	A	3249	2965	39.42
5	A	3225	2942	67.97
6	A	3220	2938	35.44
7	A	3210	2929	126.62
8	A	3202	2922	0.01
9	A	3131	2857	61.56
10	A	3125	2851	52.73
11	A	1648	1504	0.43
12	A	1639	1496	6.83
13	A	1635	1492	8.87
14	A	1631	1489	5.41
15	A	1623	1481	0.00
16	A	1598	1458	4.92
17	A	1564	1428	0.15
18	A	1553	1417	10.50
19	A	1469	1340	0.76
20	A	1435	1310	0.79
21	A	1291	1178	0.00
22	A	1275	1163	9.37
23	A	1217	1111	0.10
24	A	1182	1079	4.01
25	A	1164	1062	0.00
26	A	1160	1058	2.31
27	A	1062	969	0.75
28	A	1024	935	0.19
29	A	1010	922	25.80
30	A	995	908	0.00
31	A	903	824	17.25
32	A	860	785	0.17
33	A	717	654	4.35
34	A	430	392	1.53
35	A	386	352	0.73
36	A	376	343	0.06
37	A	353	322	0.00
38	A	244	223	0.00
39	A	213	195	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.137	0.000	-0.000
C2	-1.181	-0.000	-0.765
C3	-1.181	-0.000	0.765
C4	0.967	1.282	-0.000
C5	0.967	-1.282	-0.000
H6	-1.481	0.902	-1.269
H7	-1.481	-0.902	-1.270
H8	-1.480	-0.902	1.270
H9	-1.480	0.902	1.270
H10	1.606	1.329	0.880
H11	1.606	-1.329	0.880
H12	1.606	1.329	-0.880
H13	0.334	2.166	-0.000
H14	0.334	-2.166	-0.000
H15	1.606	-1.329	-0.880

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5239	1.5238	1.5275	1.5275	2.2453	2.2453	2.2453	2.2453	2.1678	2.1678	2.1678	2.1745	2.1745	2.1678
C2	1.5239		1.5300	2.6161	2.6161	1.0763	1.0763	2.2458	2.2458	3.4987	3.4987	3.0899	2.7515	2.7515	3.0900
C3	1.5238	1.5300		2.6161	2.6161	2.2457	2.2458	1.0763	1.0763	3.0898	3.0897	3.4987	2.7515	2.7515	3.4987
C4	1.5275	2.6161	2.6161		2.5640	2.7833	3.5177	3.5177	2.7832	1.0887	2.8285	1.0886	1.0869	3.5052	2.8283
C5	1.5275	2.6161	2.6161	2.5640		3.5177	2.7834	2.7832	3.5176	2.8285	1.0887	2.8283	3.5052	1.0869	1.0887
H6	2.2453	1.0763	2.2457	2.7833	3.5177		1.8047	3.1152	2.5392	3.7854	4.3734	3.1400	2.5494	3.7837	3.8285
H7	2.2453	1.0763	2.2458	3.5177	2.7834	1.8047		2.5393	3.1153	4.3734	3.7855	3.8283	3.7836	2.5495	3.1402
H8	2.2453	2.2458	1.0763	3.5177	2.7832	3.1152	2.5393		1.8047	3.8282	3.1397	4.3733	3.7837	2.5495	3.7855
H9	2.2453	2.2458	1.0763	2.7832	3.5176	2.5392	3.1153	1.8047		3.1397	3.8281	3.7854	2.5495	3.7837	4.3733
H10	2.1678	3.4987	3.0898	1.0887	2.8285	3.7854	4.3734	3.8282	3.1397		2.6579	1.7606	1.7586	3.8216	3.1880
H11	2.1678	3.4987	3.0897	2.8285	1.0887	4.3734	3.7855	3.1397	3.8281	2.6579		3.1881	3.8216	1.7586	1.7606
H12	2.1678	3.0899	3.4987	1.0886	2.8283	3.1400	3.8283	4.3733	3.7854	1.7606	3.1881		1.7586	3.8214	2.6577
H13	2.1745	2.7515	2.7515	1.0869	3.5052	2.5494	3.7836	3.7837	2.5495	1.7586	3.8216	1.7586		4.3311	3.8214
H14	2.1745	2.7515	2.7515	3.5052	1.0869	3.7837	2.5495	2.5495	3.7837	3.8216	1.7586	3.8214	4.3311		1.7586
H15	2.1678	3.0900	3.4987	2.8283	1.0887	3.8285	3.1402	3.7855	4.3733	3.1880	1.7606	2.6577	3.8214	1.7586

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.866	C1	C2	H6	118.410
C1	C2	H7	118.415	C1	C3	C2	59.867
C1	C3	H8	118.412	C1	C3	H9	118.411
C1	C4	H10	110.802	C1	C4	H13	111.443
C1	C4	H14	22.527	C1	C5	H11	110.802
C1	C5	H12	49.309	C1	C5	H15	110.804
C2	C1	C3	60.267	C2	C1	C4	118.047
C2	C1	C5	118.047	C2	C3	H8	117.959
C2	C3	H9	117.961	C3	C1	C4	118.046
C3	C1	C5	118.044	C3	C2	H6	117.954
C3	C2	H7	117.964	C4	C1	C5	114.136
H6	C2	H7	113.940	H8	C3	H9	113.940
H10	C4	H13	107.864	H10	C4	H14	98.535
H11	C5	H12	99.149	H11	C5	H15	107.919
H12	C5	H15	69.849	H13	C4	H14	133.970

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

using model chemistry: HF/CEP-121G

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	0.311
2	C	-0.385
3	C	-0.385
4	C	-0.496
5	C	-0.496
6	H	0.150
7	H	0.150
8	H	0.150
9	H	0.150
10	H	0.143
11	H	0.143
12	H	0.143
13	H	0.139
14	H	0.139
15	H	0.143

<r²>	106.209
(<r²>)^1/2	10.306

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

using model chemistry: HF/CEP-121G

States and conformations

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