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	hartrees
Energy at 0K	-195.273603
Energy at 298.15K	-195.282537
Nuclear repulsion energy	171.242463

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3223	3095	23.73
2	A'	3123	2998	38.57
3	A'	3084	2961	47.74
4	A'	3063	2941	12.85
5	A'	3022	2901	27.44
6	A'	1691	1623	3.80
7	A'	1507	1447	2.31
8	A'	1479	1420	2.08
9	A'	1332	1279	1.31
10	A'	1229	1180	1.98
11	A'	1129	1084	0.27
12	A'	1066	1023	8.44
13	A'	986	947	1.29
14	A'	916	880	0.67
15	A'	826	793	0.84
16	A'	713	685	42.39
17	A'	606	581	14.10
18	A'	148	143	0.30
19	A"	3198	3071	7.79
20	A"	3078	2955	29.78
21	A"	3023	2903	61.01
22	A"	1485	1426	2.52
23	A"	1382	1327	2.06
24	A"	1322	1270	0.30
25	A"	1303	1251	2.05
26	A"	1228	1179	0.00
27	A"	1150	1104	1.76
28	A"	1049	1007	2.15
29	A"	967	929	0.06
30	A"	927	890	10.53
31	A"	896	860	2.13
32	A"	778	747	0.34
33	A"	391	376	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.274	-1.198	0.000
C2	-0.070	-0.328	1.231
C3	-0.070	-0.328	-1.231
C4	-0.070	1.071	0.669
C5	-0.070	1.071	-0.669
H6	1.349	-1.412	0.000
H7	-0.248	-2.160	0.000
H8	-1.061	-0.574	1.643
H9	-1.061	-0.574	-1.643
H10	-0.110	1.960	1.292
H11	-0.110	1.960	-1.292
H12	0.645	-0.461	-2.052
H13	0.645	-0.461	2.052

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5465	1.5465	2.3904	2.3904	1.0958	1.0942	2.2071	2.2071	3.4340	3.4340	2.2117	2.2117
C2	1.5465		2.4628	1.5081	2.3597	2.1688	2.2143	1.1005	3.0504	2.2899	3.4067	3.3630	1.0967
C3	1.5465	2.4628		2.3597	1.5081	2.1688	2.2143	3.0504	1.1005	3.4067	2.2899	1.0967	3.3630
C4	2.3904	1.5081	2.3597		1.3373	2.9365	3.3042	2.1534	3.0053	1.0867	2.1530	3.2031	2.1844
C5	2.3904	2.3597	1.5081	1.3373		2.9365	3.3042	3.0053	2.1534	2.1530	1.0867	2.1844	3.2031
H6	1.0958	2.1688	2.1688	2.9365	2.9365		1.7631	3.0344	3.0344	3.8944	3.8944	2.3684	2.3684
H7	1.0942	2.2143	2.2143	3.3042	3.3042	1.7631		2.4242	2.4242	4.3204	4.3204	2.8097	2.8097
H8	2.2071	1.1005	3.0504	2.1534	3.0053	3.0344	2.4242		3.2864	2.7299	3.9927	4.0715	1.7580
H9	2.2071	3.0504	1.1005	3.0053	2.1534	3.0344	2.4242	3.2864		3.9927	2.7299	1.7580	4.0715
H10	3.4340	2.2899	3.4067	1.0867	2.1530	3.8944	4.3204	2.7299	3.9927		2.5831	4.1967	2.6479
H11	3.4340	3.4067	2.2899	2.1530	1.0867	3.8944	4.3204	3.9927	2.7299	2.5831		2.6479	4.1967
H12	2.2117	3.3630	1.0967	3.2031	2.1844	2.3684	2.8097	4.0715	1.7580	4.1967	2.6479		4.1039
H13	2.2117	1.0967	3.3630	2.1844	3.2031	2.3684	2.8097	1.7580	4.0715	2.6479	4.1967	4.1039

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	102.985	C1	C2	H8	111.883
C1	C2	H13	112.487	C1	C3	C5	102.985
C1	C3	H9	111.883	C1	C3	H12	112.487
C2	C1	C3	105.552	C2	C1	H6	109.143
C2	C1	H7	112.852	C2	C4	C5	111.910
C2	C4	H10	123.062	C3	C1	H6	109.143
C3	C1	H7	112.852	C3	C5	C4	111.910
C3	C5	H11	123.062	C4	C2	H8	110.297
C4	C2	H13	113.038	C4	C5	H11	124.976
C5	C3	H9	110.297	C5	C3	H12	113.038
C5	C4	H10	124.976	H6	C1	H7	107.235
H8	C2	H13	106.276	H9	C3	H12	106.276

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: B3PW91/6-31+G**

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	-0.350
2	C	-0.373
3	C	-0.373
4	C	-0.086
5	C	-0.086
6	H	0.168
7	H	0.157
8	H	0.166
9	H	0.166
10	H	0.145
11	H	0.145
12	H	0.160
13	H	0.160

<r²>	105.073
(<r²>)^1/2	10.251

All results from a given calculation for C5H8 (Cyclopentene)

using model chemistry: B3PW91/6-31+G**

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)