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	hartrees
Energy at 0K	-194.029972
Energy at 298.15K	-194.036273
Nuclear repulsion energy	160.763155

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3234	3094	5.36
2	A	3225	3086	42.23
3	A	3211	3072	3.18
4	A	3118	2983	31.52
5	A	1624	1554	5.44
6	A	1477	1413	2.99
7	A	1314	1258	1.17
8	A	1216	1163	1.10
9	A	1117	1069	2.13
10	A	1041	996	2.04
11	A	972	930	4.44
12	A	891	852	3.00
13	A	814	778	0.19
14	A	746	714	72.14
15	A	425	407	6.88
16	A	3217	3077	17.68
17	A	3197	3058	5.57
18	A	1323	1266	24.12
19	A	1223	1171	0.04
20	A	1088	1041	4.99
21	A	1049	1004	0.07
22	A	1045	1000	7.65
23	A	965	923	3.63
24	A	908	868	8.30
25	A	836	800	4.56
26	A	797	763	33.37
27	A	459	439	1.29

Atom	x (Å)	y (Å)	z (Å)
C1	-0.267	1.051	0.669
C2	-0.267	1.051	-0.669
C3	-0.267	-0.461	0.758
C4	-0.267	-0.461	-0.758
C5	0.924	-1.003	0.000
H6	-0.133	1.820	1.420
H7	-0.133	1.820	-1.420
H8	-0.879	-1.085	1.394
H9	-0.879	-1.085	-1.394
H10	1.853	-0.443	0.000
H11	1.035	-2.085	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3387	1.5145	2.0790	2.4667	1.0832	2.2306	2.3368	3.0320	2.6777	3.4606
C2	1.3387		2.0790	1.5145	2.4667	2.2306	1.0832	3.0320	2.3368	2.6777	3.4606
C3	1.5145	2.0790		1.5154	1.5117	2.3791	3.1566	1.0813	2.3226	2.2508	2.2150
C4	2.0790	1.5145	1.5154		1.5117	3.1566	2.3791	2.3226	1.0813	2.2508	2.2150
C5	2.4667	2.4667	1.5117	1.5117		3.3324	3.3324	2.2806	2.2806	1.0851	1.0872
H6	1.0832	2.2306	2.3791	3.1566	3.3324		2.8401	2.9992	4.1127	3.3285	4.3162
H7	2.2306	1.0832	3.1566	2.3791	3.3324	2.8401		4.1127	2.9992	3.3285	4.3162
H8	2.3368	3.0320	1.0813	2.3226	2.2806	2.9992	4.1127		2.7883	3.1336	2.5711
H9	3.0320	2.3368	2.3226	1.0813	2.2806	4.1127	2.9992	2.7883		3.1336	2.5711
H10	2.6777	2.6777	2.2508	2.2508	1.0851	3.3285	3.3285	3.1336	3.1336		1.8343
H11	3.4606	3.4606	2.2150	2.2150	1.0872	4.3162	4.3162	2.5711	2.5711	1.8343

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.344	C1	C2	H7	133.873
C1	C3	C4	86.656	C1	C3	C5	109.202
C1	C3	H8	127.589	C2	C1	C3	93.344
C2	C1	H6	133.873	C2	C4	C3	86.656
C2	C4	C5	109.202	C2	C4	H9	127.589
C3	C1	H6	131.956	C3	C4	C5	59.918
C3	C4	H9	126.058	C3	C5	C4	60.164
C3	C5	H10	119.261	C3	C5	H11	115.963
C4	C2	H7	131.956	C4	C3	C5	59.918
C4	C3	H8	126.058	C4	C5	H10	119.261
C4	C5	H11	115.963	C5	C3	H8	122.298
C5	C4	H9	122.298	H10	C5	H11	115.212

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

using model chemistry: mPW1PW91/6-311G**

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	-0.083
2	C	-0.083
3	C	-0.178
4	C	-0.178
5	C	-0.193
6	H	0.097
7	H	0.097
8	H	0.127
9	H	0.127
10	H	0.136
11	H	0.132

	x	y	z	Total
	0.147	-0.388	0.000	0.415
CHELPG
AIM
ESP

	x	y	z
x	5.991	-0.468	0.000
y	-0.468	7.991	0.000
z	0.000	0.000	7.594

<r²>	87.003
(<r²>)^1/2	9.328

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

using model chemistry: mPW1PW91/6-311G**

States and conformations

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