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	hartrees
Energy at 0K	-195.153269
Energy at 298.15K	-195.164408
Nuclear repulsion energy	184.737251

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3357	3057	41.66
2	A	3342	3043	0.00
3	A	3272	2979	16.71
4	A	3262	2971	35.75
5	A	3232	2943	52.35
6	A	3229	2940	28.68
7	A	3214	2926	94.29
8	A	3208	2921	0.00
9	A	3157	2875	55.13
10	A	3150	2869	38.45
11	A	1640	1493	1.35
12	A	1606	1462	5.39
13	A	1600	1457	5.14
14	A	1593	1451	3.64
15	A	1580	1439	0.00
16	A	1575	1434	4.43
17	A	1535	1398	0.02
18	A	1528	1391	6.32
19	A	1454	1324	1.64
20	A	1417	1290	0.70
21	A	1273	1159	0.00
22	A	1247	1136	4.53
23	A	1173	1068	0.12
24	A	1165	1061	0.37
25	A	1143	1041	0.00
26	A	1136	1035	4.07
27	A	1043	950	0.46
28	A	1012	922	0.15
29	A	1011	920	15.88
30	A	961	875	0.00
31	A	918	836	11.23
32	A	836	761	0.02
33	A	728	663	2.57
34	A	424	386	0.84
35	A	390	355	0.85
36	A	378	344	0.09
37	A	355	323	0.00
38	A	265	242	0.00
39	A	231	210	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.147	0.000	0.000
C2	1.151	-0.000	-0.755
C3	1.151	0.000	0.755
C4	-0.969	-1.274	0.000
C5	-0.969	1.274	-0.000
H6	1.452	-0.908	-1.260
H7	1.452	0.907	-1.260
H8	1.452	0.908	1.260
H9	1.452	-0.907	1.260
H10	-1.610	-1.322	-0.883
H11	-1.610	1.323	0.883
H12	-0.332	-2.158	0.000
H13	-1.611	-1.322	0.883
H14	-0.332	2.158	-0.001
H15	-1.611	1.322	-0.883

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5017	1.5017	1.5162	1.5162	2.2287	2.2287	2.2286	2.2287	2.1610	2.1611	2.1662	2.1612	2.1662	2.1611
C2	1.5017		1.5100	2.5863	2.5863	1.0812	1.0812	2.2303	2.2303	3.0642	3.4724	2.7255	3.4725	2.7253	3.0647
C3	1.5017	1.5100		2.5864	2.5862	2.2303	2.2303	1.0812	1.0812	3.4724	3.0642	2.7256	3.0647	2.7254	3.4725
C4	1.5162	2.5863	2.5864		2.5477	2.7536	3.4939	3.4940	2.7539	1.0923	2.8165	1.0900	1.0924	3.4908	2.8161
C5	1.5162	2.5863	2.5862	2.5477		3.4940	2.7538	2.7536	3.4939	2.8163	1.0924	3.4908	2.8164	1.0900	1.0923
H6	2.2287	1.0812	2.2303	2.7536	3.4940		1.8152	3.1057	2.5200	3.1125	4.3522	2.5166	3.7604	3.7641	3.8070
H7	2.2287	1.0812	2.2303	3.4939	2.7538	1.8152		2.5200	3.1057	3.8063	3.7604	3.7641	4.3523	2.5166	3.1133
H8	2.2286	2.2303	1.0812	3.4940	2.7536	3.1057	2.5200		1.8152	4.3522	3.1125	3.7644	3.8070	2.5166	3.7604
H9	2.2287	2.2303	1.0812	2.7539	3.4939	2.5200	3.1057	1.8152		3.7605	3.8065	2.5170	3.1132	3.7641	4.3523
H10	2.1610	3.0642	3.4724	1.0923	2.8163	3.1125	3.8063	4.3522	3.7605		3.1809	1.7640	1.7664	3.8116	2.6446
H11	2.1611	3.4724	3.0642	2.8165	1.0924	4.3522	3.7604	3.1125	3.8065	3.1809		3.8118	2.6451	1.7642	1.7662
H12	2.1662	2.7255	2.7256	1.0900	3.4908	2.5166	3.7641	3.7644	2.5170	1.7640	3.8118		1.7642	4.3165	3.8115
H13	2.1612	3.4725	3.0647	1.0924	2.8164	3.7604	4.3523	3.8070	3.1132	1.7664	2.6451	1.7642		3.8118	3.1800
H14	2.1662	2.7253	2.7254	3.4908	1.0900	3.7641	2.5166	2.5166	3.7641	3.8116	1.7642	4.3165	3.8118		1.7643
H15	2.1611	3.0647	3.4725	2.8161	1.0923	3.8070	3.1133	3.7604	4.3523	2.6446	1.7662	3.8115	3.1800	1.7643

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.816	C1	C2	H6	118.366
C1	C2	H7	118.369	C1	C3	C2	59.818
C1	C3	H8	118.365	C1	C3	H9	118.370
C1	C4	H10	110.825	C1	C4	H13	110.837
C1	C4	H14	22.326	C1	C5	H11	110.830
C1	C5	H12	22.328	C1	C5	H15	110.834
C2	C1	C3	60.366	C2	C1	C4	117.954
C2	C1	C5	117.959	C2	C3	H8	117.842
C2	C3	H9	117.846	C3	C1	C4	117.965
C3	C1	C5	117.953	C3	C2	H6	117.843
C3	C2	H7	117.848	C4	C1	C5	114.312
H6	C2	H7	114.150	H8	C3	H9	114.151
H10	C4	H13	107.906	H10	C4	H14	98.668
H11	C5	H12	98.682	H11	C5	H15	107.889
H12	C5	H15	98.665	H13	C4	H14	98.685

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

using model chemistry: HF/aug-cc-pVDZ

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	-0.815
2	C	0.851
3	C	0.851
4	C	0.464
5	C	0.464
6	H	-0.384
7	H	-0.384
8	H	-0.384
9	H	-0.384
10	H	0.004
11	H	0.004
12	H	-0.147
13	H	0.004
14	H	-0.147
15	H	0.004

<r²>	122.848
(<r²>)^1/2	11.084

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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