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	hartrees
Energy at 0K	-193.766205
Energy at 298.15K	-193.772314
Nuclear repulsion energy	159.410904

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3152	3100	5.39
2	A	3144	3092	56.83
3	A	3133	3081	1.94
4	A	3045	2994	34.76
5	A	1574	1548	4.97
6	A	1449	1425	1.03
7	A	1274	1253	1.16
8	A	1183	1163	1.59
9	A	1092	1074	1.46
10	A	1019	1002	1.94
11	A	948	933	3.28
12	A	853	839	3.52
13	A	790	777	0.37
14	A	716	704	57.85
15	A	407	400	5.35
16	A	3138	3087	22.01
17	A	3114	3063	10.37
18	A	1288	1267	20.21
19	A	1188	1168	0.07
20	A	1053	1035	6.14
21	A	1020	1003	0.97
22	A	1008	991	3.18
23	A	934	919	1.51
24	A	852	838	8.48
25	A	799	786	7.71
26	A	772	760	24.28
27	A	443	435	1.74

Atom	x (Å)	y (Å)	z (Å)
C1	-0.270	1.059	0.677
C2	-0.270	1.059	-0.677
C3	-0.270	-0.461	0.764
C4	-0.270	-0.461	-0.764
C5	0.928	-1.015	0.000
H6	-0.114	1.833	1.437
H7	-0.114	1.833	-1.437
H8	-0.892	-1.092	1.404
H9	-0.892	-1.092	-1.404
H10	1.873	-0.457	0.000
H11	1.037	-2.109	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3545	1.5219	2.0940	2.4886	1.0954	2.2564	2.3535	3.0564	2.7108	3.4924
C2	1.3545		2.0940	1.5219	2.4886	2.2564	1.0954	3.0564	2.3535	2.7108	3.4924
C3	1.5219	2.0940		1.5272	1.5248	2.3953	3.1820	1.0933	2.3416	2.2748	2.2372
C4	2.0940	1.5219	1.5272		1.5248	3.1820	2.3953	2.3416	1.0933	2.2748	2.2372
C5	2.4886	2.4886	1.5248	1.5248		3.3553	3.3553	2.3001	2.3001	1.0969	1.0992
H6	1.0954	2.2564	2.3953	3.1820	3.3553		2.8731	3.0263	4.1502	3.3551	4.3499
H7	2.2564	1.0954	3.1820	2.3953	3.3553	2.8731		4.1502	3.0263	3.3551	4.3499
H8	2.3535	3.0564	1.0933	2.3416	2.3001	3.0263	4.1502		2.8075	3.1654	2.5935
H9	3.0564	2.3535	2.3416	1.0933	2.3001	4.1502	3.0263	2.8075		3.1654	2.5935
H10	2.7108	2.7108	2.2748	2.2748	1.0969	3.3551	3.3551	3.1654	3.1654		1.8508
H11	3.4924	3.4924	2.2372	2.2372	1.0992	4.3499	4.3499	2.5935	2.5935	1.8508

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.252	C1	C2	H7	133.881
C1	C3	C4	86.748	C1	C3	C5	109.529
C1	C3	H8	127.537	C2	C1	C3	93.252
C2	C1	H6	133.881	C2	C4	C3	86.748
C2	C4	C5	109.529	C2	C4	H9	127.537
C3	C1	H6	131.773	C3	C4	C5	59.948
C3	C4	H9	125.842	C3	C5	C4	60.104
C3	C5	H10	119.478	C3	C5	H11	116.048
C4	C2	H7	131.773	C4	C3	C5	59.948
C4	C3	H8	125.842	C4	C5	H10	119.478
C4	C5	H11	116.048	C5	C3	H8	122.072
C5	C4	H9	122.072	H10	C5	H11	114.867

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

using model chemistry: PBEPBEultrafine/6-31G*

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	-0.115
2	C	-0.115
3	C	-0.169
4	C	-0.169
5	C	-0.325
6	H	0.131
7	H	0.131
8	H	0.154
9	H	0.154
10	H	0.166
11	H	0.158

	x	y	z	Total
	0.150	-0.393	0.000	0.420
CHELPG
AIM
ESP

	x	y	z
x	5.423	-0.437	0.000
y	-0.437	7.884	0.000
z	0.000	0.000	7.199

<r²>	87.979
(<r²>)^1/2	9.380

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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