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	hartrees
Energy at 0K	-193.779291
Energy at 298.15K	-193.785387
Nuclear repulsion energy	159.082766

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3143	3125	4.52
2	A	3135	3117	46.95
3	A	3123	3105	0.81
4	A	3024	3006	31.96
5	A	1564	1554	4.70
6	A	1397	1389	1.85
7	A	1257	1250	1.13
8	A	1166	1160	1.17
9	A	1069	1063	1.64
10	A	996	990	1.90
11	A	931	926	3.95
12	A	848	843	2.62
13	A	771	766	0.29
14	A	708	704	55.82
15	A	404	402	4.99
16	A	3127	3109	17.67
17	A	3105	3087	7.06
18	A	1263	1256	20.39
19	A	1159	1152	0.10
20	A	1032	1026	4.50
21	A	998	992	0.04
22	A	987	981	4.10
23	A	923	918	1.08
24	A	852	847	7.64
25	A	797	792	5.57
26	A	766	761	26.71
27	A	438	435	1.45

Atom	x (Å)	y (Å)	z (Å)
C1	-0.270	1.059	0.679
C2	-0.270	1.059	-0.679
C3	-0.270	-0.463	0.766
C4	-0.270	-0.463	-0.766
C5	0.931	-1.013	0.000
H6	-0.124	1.839	1.441
H7	-0.124	1.839	-1.441
H8	-0.892	-1.099	1.410
H9	-0.892	-1.099	-1.410
H10	1.876	-0.445	0.000
H11	1.040	-2.112	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3577	1.5243	2.0982	2.4886	1.1009	2.2640	2.3618	3.0671	2.7063	3.4968
C2	1.3577		2.0982	1.5243	2.4886	2.2640	1.1009	3.0671	2.3618	2.7063	3.4968
C3	1.5243	2.0982		1.5312	1.5263	2.4038	3.1925	1.0986	2.3505	2.2780	2.2404
C4	2.0982	1.5243	1.5312		1.5263	3.1925	2.4038	2.3505	1.0986	2.2780	2.2404
C5	2.4886	2.4886	1.5263	1.5263		3.3650	3.3650	2.3059	2.3059	1.1025	1.1044
H6	1.1009	2.2640	2.4038	3.1925	3.3650		2.8827	3.0373	4.1659	3.3603	4.3636
H7	2.2640	1.1009	3.1925	2.4038	3.3650	2.8827		4.1659	3.0373	3.3603	4.3636
H8	2.3618	3.0671	1.0986	2.3505	2.3059	3.0373	4.1659		2.8202	3.1741	2.5971
H9	3.0671	2.3618	2.3505	1.0986	2.3059	4.1659	3.0373	2.8202		3.1741	2.5971
H10	2.7063	2.7063	2.2780	2.2780	1.1025	3.3603	3.3603	3.1741	3.1741		1.8647
H11	3.4968	3.4968	2.2404	2.2404	1.1044	4.3636	4.3636	2.5971	2.5971	1.8647

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.262	C1	C2	H7	133.839
C1	C3	C4	86.738	C1	C3	C5	109.332
C1	C3	H8	127.696	C2	C1	C3	93.262
C2	C1	H6	133.839	C2	C4	C3	86.738
C2	C4	C5	109.332	C2	C4	H9	127.696
C3	C1	H6	131.944	C3	C4	C5	59.893
C3	C4	H9	125.920	C3	C5	C4	60.213
C3	C5	H10	119.247	C3	C5	H11	115.858
C4	C2	H7	131.944	C4	C3	C5	59.893
C4	C3	H8	125.920	C4	C5	H10	119.247
C4	C5	H11	115.858	C5	C3	H8	122.077
C5	C4	H9	122.077	H10	C5	H11	115.338

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

using model chemistry: PBEPBE/cc-pVDZ

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	0.020
2	C	0.020
3	C	-0.047
4	C	-0.047
5	C	0.043
6	H	-0.021
7	H	-0.021
8	H	-0.003
9	H	-0.003
10	H	0.028
11	H	0.031

	x	y	z	Total
	0.130	-0.419	0.000	0.439
CHELPG
AIM
ESP

	x	y	z
x	5.900	-0.450	0.000
y	-0.450	8.357	0.000
z	0.000	0.000	7.657

<r²>	88.545
(<r²>)^1/2	9.410

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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