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	hartrees
Energy at 0K	-196.361548
Energy at 298.15K	-196.372352
Nuclear repulsion energy	184.242969

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3175	3028	9.32
2	A	3140	2994	43.01
3	A	3049	2908	39.91
4	A	1553	1481	1.30
5	A	1535	1464	7.66
6	A	1461	1393	0.30
7	A	1395	1331	0.86
8	A	1116	1065	2.86
9	A	1085	1035	14.68
10	A	976	930	15.08
11	A	705	673	2.01
12	A	350	334	0.00
13	A	3253	3102	0.00
14	A	3123	2979	0.00
15	A	1523	1452	0.00
16	A	1208	1152	0.00
17	A	1087	1037	0.00
18	A	920	878	0.00
19	A	328	313	0.00
20	A	213	204	0.00
21	A	3168	3022	21.50
22	A	3126	2981	66.02
23	A	1540	1468	7.60
24	A	1506	1436	7.18
25	A	1197	1141	11.13
26	A	1121	1069	0.90
27	A	872	831	5.96
28	A	399	381	1.82
29	A	238	227	0.02
30	A	3268	3117	26.65
31	A	3137	2992	19.52
32	A	3045	2904	40.21
33	A	1535	1464	6.22
34	A	1448	1381	13.10
35	A	1356	1293	1.65
36	A	996	950	0.71
37	A	971	926	0.70
38	A	809	772	0.00
39	A	356	340	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.154
C2	0.757	0.000	-1.158
C3	-0.757	0.000	-1.158
C4	0.000	1.272	0.972
C5	0.000	-1.272	0.972
H6	1.270	0.909	-1.453
H7	1.270	-0.909	-1.453
H8	-1.270	-0.909	-1.453
H9	-1.270	0.909	-1.453
H10	-0.886	1.325	1.615
H11	-0.886	-1.325	1.615
H12	0.886	-1.325	1.615
H13	0.886	1.325	1.615
H14	0.000	2.157	0.329
H15	0.000	-2.157	0.329

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5142	1.5142	1.5130	1.5130	2.2404	2.2404	2.2404	2.2404	2.1624	2.1624	2.1624	2.1624	2.1645	2.1645
C2	1.5142		1.5144	2.5940	2.5940	1.0842	1.0842	2.2407	2.2407	3.4848	3.4848	3.0759	3.0759	2.7270	2.7270
C3	1.5142	1.5144		2.5940	2.5940	2.2407	2.2407	1.0842	1.0842	3.0759	3.0759	3.4848	3.4848	2.7270	2.7270
C4	1.5130	2.5940	2.5940		2.5445	2.7619	3.5003	3.5003	2.7619	1.0958	2.8181	2.8181	1.0958	1.0944	3.4895
C5	1.5130	2.5940	2.5940	2.5445		3.5003	2.7619	2.7619	3.5003	2.8181	1.0958	1.0958	2.8181	3.4895	1.0944
H6	2.2404	1.0842	2.2407	2.7619	3.5003		1.8171	3.1224	2.5391	3.7730	4.3646	3.8147	3.1206	2.5193	3.7666
H7	2.2404	1.0842	2.2407	3.5003	2.7619	1.8171		2.5391	3.1224	4.3646	3.7730	3.1206	3.8147	3.7666	2.5193
H8	2.2404	2.2407	1.0842	3.5003	2.7619	3.1224	2.5391		1.8171	3.8147	3.1206	3.7730	4.3646	3.7666	2.5193
H9	2.2404	2.2407	1.0842	2.7619	3.5003	2.5391	3.1224	1.8171		3.1206	3.8147	4.3646	3.7730	2.5193	3.7666
H10	2.1624	3.4848	3.0759	1.0958	2.8181	3.7730	4.3646	3.8147	3.1206		2.6491	3.1867	1.7713	1.7703	3.8163
H11	2.1624	3.4848	3.0759	2.8181	1.0958	4.3646	3.7730	3.1206	3.8147	2.6491		1.7713	3.1867	3.8163	1.7703
H12	2.1624	3.0759	3.4848	2.8181	1.0958	3.8147	3.1206	3.7730	4.3646	3.1867	1.7713		2.6491	3.8163	1.7703
H13	2.1624	3.0759	3.4848	1.0958	2.8181	3.1206	3.8147	4.3646	3.7730	1.7713	3.1867	2.6491		1.7703	3.8163
H14	2.1645	2.7270	2.7270	1.0944	3.4895	2.5193	3.7666	3.7666	2.5193	1.7703	3.8163	3.8163	1.7703		4.3147
H15	2.1645	2.7270	2.7270	3.4895	1.0944	3.7666	2.5193	2.5193	3.7666	3.8163	1.7703	1.7703	3.8163	4.3147

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.996	C1	C2	H6	118.195
C1	C2	H7	118.195	C1	C3	C2	59.996
C1	C3	H8	118.195	C1	C3	H9	118.195
C1	C4	H10	110.961	C1	C4	H13	110.961
C1	C4	H14	111.209	C1	C5	H11	110.961
C1	C5	H12	110.961	C1	C5	H15	111.209
C2	C1	C3	60.008	C2	C1	C4	117.946
C2	C1	C5	117.946	C2	C3	H8	118.203
C2	C3	H9	118.203	C3	C1	C4	117.946
C3	C1	C5	117.946	C3	C2	H6	118.203
C3	C2	H7	118.203	C4	C1	C5	114.475
H6	C2	H7	113.865	H8	C3	H9	113.865
H10	C4	H13	107.851	H10	C4	H14	107.856
H11	C5	H12	107.851	H11	C5	H15	107.856
H12	C5	H15	107.856	H13	C4	H14	107.856

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

using model chemistry: B1B95/6-31G

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	-0.020
2	C	-0.313
3	C	-0.313
4	C	-0.441
5	C	-0.441
6	H	0.158
7	H	0.158
8	H	0.158
9	H	0.158
10	H	0.152
11	H	0.152
12	H	0.152
13	H	0.152
14	H	0.144
15	H	0.144

<r²>	122.721
(<r²>)^1/2	11.078

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

using model chemistry: B1B95/6-31G

States and conformations

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