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	hartrees
Energy at 0K	-194.029050
Energy at 298.15K	-194.035382
HF Energy	-194.029050
Nuclear repulsion energy	160.933267

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3233	3092	2.41
2	A'	3224	3084	39.48
3	A'	3213	3074	1.86
4	A'	3125	2990	27.54
5	A'	1635	1565	9.46
6	A'	1490	1426	3.15
7	A'	1317	1260	0.89
8	A'	1217	1164	0.77
9	A'	1129	1080	1.99
10	A'	1050	1005	1.72
11	A'	977	935	4.15
12	A'	896	857	2.31
13	A'	822	786	0.44
14	A'	752	720	73.56
15	A'	431	412	7.21
16	A"	3216	3077	14.71
17	A"	3196	3057	4.98
18	A"	1339	1281	23.93
19	A"	1249	1195	0.01
20	A"	1092	1045	1.62
21	A"	1064	1018	11.29
22	A"	1048	1003	0.00
23	A"	967	925	5.21
24	A"	914	875	6.62
25	A"	838	802	2.64
26	A"	791	756	32.68
27	A"	460	440	1.16

Atom	x (Å)	y (Å)	z (Å)
C1	-0.267	1.051	0.667
C2	-0.267	1.051	-0.667
C3	-0.267	-0.460	0.757
C4	-0.267	-0.460	-0.757
C5	0.922	-1.005	0.000
H6	-0.128	1.819	1.414
H7	-0.128	1.819	-1.414
H8	-0.880	-1.081	1.391
H9	-0.880	-1.081	-1.391
H10	1.853	-0.451	0.000
H11	1.029	-2.085	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3343	1.5133	2.0760	2.4671	1.0807	2.2231	2.3331	3.0258	2.6820	3.4579
C2	1.3343		2.0760	1.5133	2.4671	2.2231	1.0807	3.0258	2.3331	2.6820	3.4579
C3	1.5133	2.0760		1.5138	1.5112	2.3760	3.1508	1.0785	2.3183	2.2504	2.2120
C4	2.0760	1.5133	1.5138		1.5112	3.1508	2.3760	2.3183	1.0785	2.2504	2.2120
C5	2.4671	2.4671	1.5112	1.5112		3.3290	3.3290	2.2774	2.2774	1.0829	1.0847
H6	1.0807	2.2231	2.3760	3.1508	3.3290		2.8288	2.9958	4.1042	3.3286	4.3106
H7	2.2231	1.0807	3.1508	2.3760	3.3290	2.8288		4.1042	2.9958	3.3286	4.3106
H8	2.3331	3.0258	1.0785	2.3183	2.2774	2.9958	4.1042		2.7819	3.1297	2.5664
H9	3.0258	2.3331	2.3183	1.0785	2.2774	4.1042	2.9958	2.7819		3.1297	2.5664
H10	2.6820	2.6820	2.2504	2.2504	1.0829	3.3286	3.3286	3.1297	3.1297		1.8291
H11	3.4579	3.4579	2.2120	2.2120	1.0847	4.3106	4.3106	2.5664	2.5664	1.8291

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.400	C1	C2	H7	133.747
C1	C3	C4	86.600	C1	C3	C5	109.311
C1	C3	H8	127.560	C2	C1	C3	93.400
C2	C1	H6	133.747	C2	C4	C3	86.600
C2	C4	C5	109.311	C2	C4	H9	127.560
C3	C1	H6	131.966	C3	C4	C5	59.944
C3	C4	H9	126.008	C3	C5	C4	60.112
C3	C5	H10	119.423	C3	C5	H11	115.911
C4	C2	H7	131.966	C4	C3	C5	59.944
C4	C3	H8	126.008	C4	C5	H10	119.423
C4	C5	H11	115.911	C5	C3	H8	122.248
C5	C4	H9	122.248	H10	C5	H11	115.097

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

using model chemistry: wB97X-D/aug-cc-pVTZ

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	-0.586
2	C	-0.586
3	C	-0.233
4	C	-0.233
5	C	-0.742
6	H	0.410
7	H	0.410
8	H	0.480
9	H	0.480
10	H	0.383
11	H	0.217

	x	y	z	Total
	0.157	-0.416	0.000	0.445
CHELPG
AIM
ESP

	x	y	z
x	7.177	-0.487	0.000
y	-0.487	8.665	0.000
z	0.000	0.000	8.295

<r²>	86.999
(<r²>)^1/2	9.327

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

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

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