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	hartrees
Energy at 0K	-195.233235
Energy at 298.15K	-195.242187
Nuclear repulsion energy	171.802158

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3231	3091	23.99
2	A'	3132	2996	38.81
3	A'	3095	2961	43.41
4	A'	3073	2939	15.51
5	A'	3029	2898	29.47
6	A'	1701	1627	3.78
7	A'	1504	1438	2.10
8	A'	1476	1412	2.50
9	A'	1333	1276	1.24
10	A'	1229	1176	1.96
11	A'	1128	1079	0.29
12	A'	1064	1017	8.31
13	A'	991	948	1.28
14	A'	925	885	0.63
15	A'	830	794	0.76
16	A'	713	682	42.58
17	A'	593	568	11.71
18	A'	161	154	0.27
19	A"	3206	3067	7.69
20	A"	3090	2956	31.58
21	A"	3031	2900	55.99
22	A"	1483	1419	2.38
23	A"	1385	1325	1.94
24	A"	1326	1269	0.41
25	A"	1300	1244	1.85
26	A"	1227	1173	0.01
27	A"	1147	1098	2.00
28	A"	1052	1007	2.14
29	A"	969	927	0.06
30	A"	933	892	10.85
31	A"	896	857	1.32
32	A"	774	740	0.28
33	A"	393	376	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.299	-1.186	0.000
C2	-0.077	-0.331	1.225
C3	-0.077	-0.331	-1.225
C4	-0.077	1.066	0.667
C5	-0.077	1.066	-0.667
H6	1.380	-1.351	0.000
H7	-0.181	-2.167	0.000
H8	-1.074	-0.586	1.611
H9	-1.074	-0.586	-1.611
H10	-0.120	1.954	1.290
H11	-0.120	1.954	-1.290
H12	0.620	-0.463	-2.059
H13	0.620	-0.463	2.059

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5402	1.5402	2.3783	2.3783	1.0940	1.0923	2.1995	2.1995	3.4197	3.4197	2.2055	2.2055
C2	1.5402		2.4501	1.5042	2.3522	2.1597	2.2095	1.0987	3.0168	2.2860	3.3980	3.3594	1.0945
C3	1.5402	2.4501		2.3522	1.5042	2.1597	2.2095	3.0168	1.0987	3.3980	2.2860	1.0945	3.3594
C4	2.3783	1.5042	2.3522		1.3348	2.9000	3.3027	2.1476	2.9854	1.0851	2.1495	3.2022	2.1813
C5	2.3783	2.3522	1.5042	1.3348		2.9000	3.3027	2.9854	2.1476	2.1495	1.0851	2.1813	3.2022
H6	1.0940	2.1597	2.1597	2.9000	2.9000		1.7616	3.0334	3.0334	3.8516	3.8516	2.3676	2.3676
H7	1.0923	2.2095	2.2095	3.3027	3.3027	1.7616		2.4272	2.4272	4.3182	4.3182	2.7900	2.7900
H8	2.1995	1.0987	3.0168	2.1476	2.9854	3.0334	2.4272		3.2218	2.7316	3.9715	4.0434	1.7560
H9	2.1995	3.0168	1.0987	2.9854	2.1476	3.0334	2.4272	3.2218		3.9715	2.7316	1.7560	4.0434
H10	3.4197	2.2860	3.3980	1.0851	2.1495	3.8516	4.3182	2.7316	3.9715		2.5796	4.1951	2.6415
H11	3.4197	3.3980	2.2860	2.1495	1.0851	3.8516	4.3182	3.9715	2.7316	2.5796		2.6415	4.1951
H12	2.2055	3.3594	1.0945	3.2022	2.1813	2.3676	2.7900	4.0434	1.7560	4.1951	2.6415		4.1174
H13	2.2055	1.0945	3.3594	2.1813	3.2022	2.3676	2.7900	1.7560	4.0434	2.6415	4.1951	4.1174

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	102.736	C1	C2	H8	111.832
C1	C2	H13	112.569	C1	C3	C5	102.736
C1	C3	H9	111.832	C1	C3	H12	112.569
C2	C1	C3	105.382	C2	C1	H6	108.962
C2	C1	H7	113.039	C2	C4	C5	111.761
C2	C4	H10	123.173	C3	C1	H6	108.962
C3	C1	H7	113.039	C3	C5	C4	111.761
C3	C5	H11	123.173	C4	C2	H8	110.219
C4	C2	H13	113.215	C4	C5	H11	125.005
C5	C3	H9	110.219	C5	C3	H12	113.215
C5	C4	H10	125.005	H6	C1	H7	107.364
H8	C2	H13	106.383	H9	C3	H12	106.383

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: B1B95/6-31+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	-0.352
2	C	-0.368
3	C	-0.368
4	C	-0.079
5	C	-0.079
6	H	0.168
7	H	0.154
8	H	0.164
9	H	0.164
10	H	0.140
11	H	0.140
12	H	0.158
13	H	0.158

	x	y	z	Total
	-0.087	-0.254	0.000	0.268
CHELPG
AIM
ESP

	x	y	z
x	6.649	-0.088	0.000
y	-0.088	8.329	0.000
z	0.000	0.000	9.725

<r²>	104.455
(<r²>)^1/2	10.220

All results from a given calculation for C5H8 (Cyclopentene)

using model chemistry: B1B95/6-31+G**

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)