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	hartrees
Energy at 0K	-193.815082
Energy at 298.15K	-193.821203
Nuclear repulsion energy	159.594501

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3138	3110	3.85
2	A	3130	3102	52.58
3	A	3117	3089	3.29
4	A	3025	2998	35.93
5	A	1555	1541	4.86
6	A	1420	1407	2.89
7	A	1256	1245	1.30
8	A	1169	1158	1.28
9	A	1077	1067	2.12
10	A	1005	996	1.99
11	A	937	928	4.11
12	A	843	835	2.92
13	A	781	774	0.33
14	A	711	704	67.10
15	A	407	403	6.63
16	A	3124	3096	19.29
17	A	3100	3072	9.18
18	A	1267	1256	23.41
19	A	1173	1162	0.05
20	A	1040	1030	6.09
21	A	1005	996	0.01
22	A	997	988	6.39
23	A	925	916	1.79
24	A	856	848	8.21
25	A	802	795	4.95
26	A	767	760	30.44
27	A	439	435	1.21

Atom	x (Å)	y (Å)	z (Å)
C1	-0.269	1.057	0.676
C2	-0.269	1.057	-0.676
C3	-0.269	-0.462	0.764
C4	-0.269	-0.462	-0.764
C5	0.929	-1.011	0.000
H6	-0.125	1.831	1.433
H7	-0.125	1.831	-1.433
H8	-0.887	-1.093	1.403
H9	-0.887	-1.093	-1.403
H10	1.867	-0.447	0.000
H11	1.040	-2.102	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3514	1.5220	2.0932	2.4841	1.0923	2.2506	2.3527	3.0541	2.6982	3.4856
C2	1.3514		2.0932	1.5220	2.4841	2.2506	1.0923	3.0541	2.3527	2.6982	3.4856
C3	1.5220	2.0932		1.5280	1.5235	2.3934	3.1791	1.0901	2.3401	2.2683	2.2327
C4	2.0932	1.5220	1.5280		1.5235	3.1791	2.3934	2.3401	1.0901	2.2683	2.2327
C5	2.4841	2.4841	1.5235	1.5235		3.3532	3.3532	2.2965	2.2965	1.0941	1.0962
H6	1.0923	2.2506	2.3934	3.1791	3.3532		2.8654	3.0223	4.1443	3.3481	4.3450
H7	2.2506	1.0923	3.1791	2.3934	3.3532	2.8654		4.1443	3.0223	3.3481	4.3450
H8	2.3527	3.0541	1.0901	2.3401	2.2965	3.0223	4.1443		2.8061	3.1573	2.5881
H9	3.0541	2.3527	2.3401	1.0901	2.2965	4.1443	3.0223	2.8061		3.1573	2.5881
H10	2.6982	2.6982	2.2683	2.2683	1.0941	3.3481	3.3481	3.1573	3.1573		1.8499
H11	3.4856	3.4856	2.2327	2.2327	1.0962	4.3450	4.3450	2.5881	2.5881	1.8499

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.327	C1	C2	H7	133.873
C1	C3	C4	86.673	C1	C3	C5	109.307
C1	C3	H8	127.724	C2	C1	C3	93.327
C2	C1	H6	133.873	C2	C4	C3	86.673
C2	C4	C5	109.307	C2	C4	H9	127.724
C3	C1	H6	131.858	C3	C4	C5	59.902
C3	C4	H9	125.891	C3	C5	C4	60.196
C3	C5	H10	119.214	C3	C5	H11	115.966
C4	C2	H7	131.858	C4	C3	C5	59.902
C4	C3	H8	125.891	C4	C5	H10	119.214
C4	C5	H11	115.966	C5	C3	H8	122.091
C5	C4	H9	122.091	H10	C5	H11	115.254

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

using model chemistry: PBEPBE/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	-0.078
2	C	-0.078
3	C	-0.167
4	C	-0.167
5	C	-0.193
6	H	0.091
7	H	0.091
8	H	0.122
9	H	0.122
10	H	0.131
11	H	0.128

	x	y	z	Total
	0.142	-0.419	0.000	0.443
CHELPG
AIM
ESP

	x	y	z
x	6.205	-0.487	0.000
y	-0.487	8.444	0.000
z	0.000	0.000	7.787

<r²>	88.171
(<r²>)^1/2	9.390

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

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

States and conformations

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