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	hartrees
Energy at 0K	-192.733556
Energy at 298.15K	-192.740149
Nuclear repulsion energy	161.348334

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3374	3055	15.39
2	A	3354	3037	38.72
3	A	3335	3020	6.91
4	A	3247	2940	37.80
5	A	1759	1593	6.16
6	A	1606	1454	0.75
7	A	1419	1285	0.25
8	A	1302	1179	0.98
9	A	1200	1087	1.65
10	A	1110	1005	2.24
11	A	1042	944	3.63
12	A	978	886	3.64
13	A	878	795	0.90
14	A	831	752	61.30
15	A	465	421	4.62
16	A	3345	3029	30.59
17	A	3333	3018	0.17
18	A	1440	1304	21.65
19	A	1334	1208	0.10
20	A	1208	1094	2.11
21	A	1164	1054	5.83
22	A	1138	1030	0.08
23	A	1053	954	12.50
24	A	986	893	2.60
25	A	902	817	0.76
26	A	845	765	32.46
27	A	500	453	2.07

Atom	x (Å)	y (Å)	z (Å)
C1	-0.266	1.053	0.661
C2	-0.266	1.053	-0.661
C3	-0.266	-0.463	0.752
C4	-0.266	-0.463	-0.752
C5	0.922	-1.006	0.000
H6	-0.147	1.818	1.406
H7	-0.147	1.818	-1.406
H8	-0.868	-1.073	1.398
H9	-0.868	-1.073	-1.398
H10	1.851	-0.462	0.000
H11	1.027	-2.080	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3225	1.5186	2.0726	2.4668	1.0742	2.2075	2.3289	3.0199	2.6859	3.4533
C2	1.3225		2.0726	1.5186	2.4668	2.2075	1.0742	3.0199	2.3289	2.6859	3.4533
C3	1.5186	2.0726		1.5043	1.5068	2.3755	3.1422	1.0731	2.3144	2.2465	2.2030
C4	2.0726	1.5186	1.5043		1.5068	3.1422	2.3755	2.3144	1.0731	2.2465	2.2030
C5	2.4668	2.4668	1.5068	1.5068		3.3303	3.3303	2.2720	2.2720	1.0767	1.0796
H6	1.0742	2.2075	2.3755	3.1422	3.3303		2.8122	2.9792	4.0909	3.3418	4.3069
H7	2.2075	1.0742	3.1422	2.3755	3.3303	2.8122		4.0909	2.9792	3.3418	4.3069
H8	2.3289	3.0199	1.0731	2.3144	2.2720	2.9792	4.0909		2.7950	3.1180	2.5616
H9	3.0199	2.3289	2.3144	1.0731	2.2720	4.0909	2.9792	2.7950		3.1180	2.5616
H10	2.6859	2.6859	2.2465	2.2465	1.0767	3.3418	3.3418	3.1180	3.1180		1.8157
H11	3.4533	3.4533	2.2030	2.2030	1.0796	4.3069	4.3069	2.5616	2.5616	1.8157

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.433	C1	C2	H7	133.903
C1	C3	C4	86.567	C1	C3	C5	109.252
C1	C3	H8	127.102	C2	C1	C3	93.433
C2	C1	H6	133.903	C2	C4	C3	86.567
C2	C4	C5	109.252	C2	C4	H9	127.102
C3	C1	H6	132.004	C3	C4	C5	60.053
C3	C4	H9	126.967	C3	C5	C4	59.894
C3	C5	H10	119.896	C3	C5	H11	115.823
C4	C2	H7	132.004	C4	C3	C5	60.053
C4	C3	H8	126.967	C4	C5	H10	119.896
C4	C5	H11	115.823	C5	C3	H8	122.554
C5	C4	H9	122.554	H10	C5	H11	114.705

All results from a given calculation for C₅H₆ (Bicyclo[2.1.0]pent-2-ene)

using model chemistry: HF/6-31G(2df,p)

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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Number	Element	Mulliken
1	C	-0.146
2	C	-0.146
3	C	-0.135
4	C	-0.135
5	C	-0.288
6	H	0.144
7	H	0.144
8	H	0.139
9	H	0.139
10	H	0.145
11	H	0.139

	x	y	z	Total
	0.122	-0.217	0.000	0.249
CHELPG
AIM
ESP

	x	y	z
x	5.451	-0.446	0.000
y	-0.446	7.283	0.000
z	0.000	0.000	7.213

<r²>	86.596
(<r²>)^1/2	9.306

All results from a given calculation for C5H6 (Bicyclo[2.1.0]pent-2-ene)

using model chemistry: HF/6-31G(2df,p)

States and conformations

All results from a given calculation for C₅H₆ (Bicyclo[2.1.0]pent-2-ene)