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	hartrees
Energy at 0K	-195.197190
Energy at 298.15K	-195.208325
Nuclear repulsion energy	185.425811

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3260	2962	15.20
2	A	3214	2920	51.43
3	A	3148	2860	53.42
4	A	1647	1496	0.97
5	A	1623	1474	5.77
6	A	1548	1407	0.00
7	A	1458	1325	1.87
8	A	1171	1064	1.26
9	A	1149	1044	3.84
10	A	1009	917	15.65
11	A	725	659	2.42
12	A	375	341	0.07
13	A	3323	3019	0.00
14	A	3190	2899	0.00
15	A	1599	1453	0.00
16	A	1285	1168	0.00
17	A	1154	1048	0.00
18	A	973	884	0.00
19	A	355	323	0.00
20	A	230	209	0.00
21	A	3251	2954	34.66
22	A	3196	2904	90.19
23	A	1618	1470	5.53
24	A	1591	1446	4.33
25	A	1258	1143	4.55
26	A	1195	1086	0.10
27	A	919	835	10.96
28	A	426	387	0.91
29	A	263	239	0.00
30	A	3339	3034	39.51
31	A	3211	2917	28.11
32	A	3141	2854	36.88
33	A	1610	1463	3.94
34	A	1538	1398	5.55
35	A	1420	1290	1.05
36	A	1050	954	0.39
37	A	1013	921	0.19
38	A	845	768	0.02
39	A	385	350	0.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.146
C2	0.752	0.000	-1.148
C3	-0.752	0.000	-1.148
C4	0.000	1.271	0.967
C5	0.000	-1.271	0.967
H6	1.255	0.901	-1.447
H7	1.255	-0.901	-1.447
H8	-1.255	-0.901	-1.447
H9	-1.255	0.901	-1.447
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	2.151	0.334
H15	0.000	-2.151	0.334

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.4959	1.4959	1.5132	1.5132	2.2185	2.2185	2.2185	2.2185	2.1541	2.1541	2.1541	2.1541	2.1590	2.1590
C2	1.4959		1.5037	2.5789	2.5789	1.0743	1.0743	2.2201	2.2201	3.4597	3.4597	3.0547	3.0547	2.7177	2.7177
C3	1.4959	1.5037		2.5789	2.5789	2.2201	2.2201	1.0743	1.0743	3.0547	3.0547	3.4597	3.4597	2.7177	2.7177
C4	1.5132	2.5789	2.5789		2.5421	2.7452	3.4808	3.4808	2.7452	1.0856	2.8091	2.8091	1.0856	1.0835	3.4798
C5	1.5132	2.5789	2.5789	2.5421		3.4808	2.7452	2.7452	3.4808	2.8091	1.0856	1.0856	2.8091	3.4798	1.0835
H6	2.2185	1.0743	2.2201	2.7452	3.4808		1.8016	3.0899	2.5103	3.7457	4.3344	3.7925	3.1025	2.5116	3.7494
H7	2.2185	1.0743	2.2201	3.4808	2.7452	1.8016		2.5103	3.0899	4.3344	3.7457	3.1025	3.7925	3.7494	2.5116
H8	2.2185	2.2201	1.0743	3.4808	2.7452	3.0899	2.5103		1.8016	3.7925	3.1025	3.7457	4.3344	3.7494	2.5116
H9	2.2185	2.2201	1.0743	2.7452	3.4808	2.5103	3.0899	1.8016		3.1025	3.7925	4.3344	3.7457	2.5116	3.7494
H10	2.1541	3.4597	3.0547	1.0856	2.8091	3.7457	4.3344	3.7925	3.1025		2.6405	3.1703	1.7545	1.7529	3.7988
H11	2.1541	3.4597	3.0547	2.8091	1.0856	4.3344	3.7457	3.1025	3.7925	2.6405		1.7545	3.1703	3.7988	1.7529
H12	2.1541	3.0547	3.4597	2.8091	1.0856	3.7925	3.1025	3.7457	4.3344	3.1703	1.7545		2.6405	3.7988	1.7529
H13	2.1541	3.0547	3.4597	1.0856	2.8091	3.1025	3.7925	4.3344	3.7457	1.7545	3.1703	2.6405		1.7529	3.7988
H14	2.1590	2.7177	2.7177	1.0835	3.4798	2.5116	3.7494	3.7494	2.5116	1.7529	3.7988	3.7988	1.7529		4.3015
H15	2.1590	2.7177	2.7177	3.4798	1.0835	3.7494	2.5116	2.5116	3.7494	3.7988	1.7529	1.7529	3.7988	4.3015

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.827	C1	C2	H6	118.428
C1	C2	H7	118.428	C1	C3	C2	59.827
C1	C3	H8	118.428	C1	C3	H9	118.428
C1	C4	H10	110.899	C1	C4	H13	110.899
C1	C4	H14	111.419	C1	C5	H11	110.899
C1	C5	H12	110.899	C1	C5	H15	111.419
C2	C1	C3	60.346	C2	C1	C4	117.974
C2	C1	C5	117.974	C2	C3	H8	117.937
C2	C3	H9	117.937	C3	C1	C4	117.974
C3	C1	C5	117.974	C3	C2	H6	117.937
C3	C2	H7	117.937	C4	C1	C5	114.281
H6	C2	H7	113.962	H8	C3	H9	113.962
H10	C4	H13	107.825	H10	C4	H14	107.823
H11	C5	H12	107.825	H11	C5	H15	107.823
H12	C5	H15	107.823	H13	C4	H14	107.823

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

using model chemistry: HF/6-311+G(3df,2p)

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	0.269
2	C	-0.248
3	C	-0.248
4	C	-0.467
5	C	-0.467
6	H	0.113
7	H	0.113
8	H	0.113
9	H	0.113
10	H	0.122
11	H	0.122
12	H	0.122
13	H	0.122
14	H	0.110
15	H	0.110

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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