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	hartrees
Energy at 0K	-194.559409
Energy at 298.15K	-194.570203
HF Energy	-194.042816
Nuclear repulsion energy	182.424395

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3138	3016	7.21
2	A	3080	2960	34.85
3	A	3013	2896	24.67
4	A	1583	1522	3.30
5	A	1550	1490	2.30
6	A	1483	1425	0.11
7	A	1348	1296	0.77
8	A	1113	1070	17.69
9	A	1077	1035	0.44
10	A	910	875	10.18
11	A	654	629	1.84
12	A	358	344	0.00
13	A	3211	3086	0.00
14	A	3069	2949	0.00
15	A	1562	1501	0.00
16	A	1209	1162	0.00
17	A	1106	1063	0.00
18	A	935	899	0.00
19	A	338	325	0.00
20	A	223	215	0.00
21	A	3131	3009	14.62
22	A	3073	2953	52.83
23	A	1578	1516	5.67
24	A	1530	1471	3.63
25	A	1217	1169	6.76
26	A	1129	1085	0.95
27	A	828	796	5.53
28	A	392	377	1.83
29	A	240	230	0.02
30	A	3226	3100	18.74
31	A	3077	2957	14.43
32	A	3009	2892	26.39
33	A	1573	1511	4.86
34	A	1469	1412	8.25
35	A	1337	1285	1.72
36	A	1019	980	0.27
37	A	953	916	0.94
38	A	808	777	0.02
39	A	359	345	0.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.156
C2	0.773	0.000	-1.168
C3	-0.773	0.000	-1.168
C4	0.000	1.289	0.981
C5	0.000	-1.289	0.981
H6	1.280	0.917	-1.460
H7	1.280	-0.917	-1.460
H8	-1.280	-0.917	-1.460
H9	-1.280	0.917	-1.460
H10	-0.894	1.332	1.623
H11	-0.894	-1.332	1.623
H12	0.894	-1.332	1.623
H13	0.894	1.332	1.623
H14	0.000	2.172	0.325
H15	0.000	-2.172	0.325

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5333	1.5333	1.5304	1.5304	2.2567	2.2567	2.2567	2.2567	2.1734	2.1734	2.1734	2.1734	2.1784	2.1784
C2	1.5333		1.5451	2.6228	2.6228	1.0882	1.0882	2.2668	2.2668	3.5129	3.5129	3.0949	3.0949	2.7463	2.7463
C3	1.5333	1.5451		2.6228	2.6228	2.2668	2.2668	1.0882	1.0882	3.0949	3.0949	3.5129	3.5129	2.7463	2.7463
C4	1.5304	2.6228	2.6228		2.5780	2.7816	3.5310	3.5310	2.7816	1.1011	2.8424	2.8424	1.1011	1.1004	3.5227
C5	1.5304	2.6228	2.6228	2.5780		3.5310	2.7816	2.7816	3.5310	2.8424	1.1011	1.1011	2.8424	3.5227	1.1004
H6	2.2567	1.0882	2.2668	2.7816	3.5310		1.8349	3.1490	2.5591	3.7950	4.3920	3.8359	3.1347	2.5292	3.7904
H7	2.2567	1.0882	2.2668	3.5310	2.7816	1.8349		2.5591	3.1490	4.3920	3.7950	3.1347	3.8359	3.7904	2.5292
H8	2.2567	2.2668	1.0882	3.5310	2.7816	3.1490	2.5591		1.8349	3.8359	3.1347	3.7950	4.3920	3.7904	2.5292
H9	2.2567	2.2668	1.0882	2.7816	3.5310	2.5591	3.1490	1.8349		3.1347	3.8359	4.3920	3.7950	2.5292	3.7904
H10	2.1734	3.5129	3.0949	1.1011	2.8424	3.7950	4.3920	3.8359	3.1347		2.6636	3.2080	1.7879	1.7862	3.8419
H11	2.1734	3.5129	3.0949	2.8424	1.1011	4.3920	3.7950	3.1347	3.8359	2.6636		1.7879	3.2080	3.8419	1.7862
H12	2.1734	3.0949	3.5129	2.8424	1.1011	3.8359	3.1347	3.7950	4.3920	3.2080	1.7879		2.6636	3.8419	1.7862
H13	2.1734	3.0949	3.5129	1.1011	2.8424	3.1347	3.8359	4.3920	3.7950	1.7879	3.2080	2.6636		1.7862	3.8419
H14	2.1784	2.7463	2.7463	1.1004	3.5227	2.5292	3.7904	3.7904	2.5292	1.7862	3.8419	3.8419	1.7862		4.3438
H15	2.1784	2.7463	2.7463	3.5227	1.1004	3.7904	2.5292	2.5292	3.7904	3.8419	1.7862	1.7862	3.8419	4.3438

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.747	C1	C2	H6	117.820
C1	C2	H7	117.820	C1	C3	C2	59.747
C1	C3	H8	117.820	C1	C3	H9	117.820
C1	C4	H10	110.291	C1	C4	H13	110.291
C1	C4	H14	110.730	C1	C5	H11	110.291
C1	C5	H12	110.291	C1	C5	H15	110.730
C2	C1	C3	60.506	C2	C1	C4	117.754
C2	C1	C5	117.754	C2	C3	H8	117.771
C2	C3	H9	117.771	C3	C1	C4	117.754
C3	C1	C5	117.754	C3	C2	H6	117.771
C3	C2	H7	117.771	C4	C1	C5	114.757
H6	C2	H7	114.935	H8	C3	H9	114.935
H10	C4	H13	108.557	H10	C4	H14	108.454
H11	C5	H12	108.557	H11	C5	H15	108.454
H12	C5	H15	108.454	H13	C4	H14	108.454

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

using model chemistry: QCISD/3-21G*

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

using model chemistry: QCISD/3-21G*

States and conformations

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