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	hartrees
Energy at 0K	-192.915681
Energy at 298.15K	-192.921822
Nuclear repulsion energy	160.798078

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3160	3100	2.57
2	A	3152	3093	34.18
3	A	3141	3083	1.31
4	A	3050	2993	24.01
5	A	1601	1571	3.88
6	A	1434	1407	2.95
7	A	1298	1274	2.86
8	A	1196	1174	1.86
9	A	1092	1071	2.06
10	A	1018	999	2.22
11	A	952	934	3.93
12	A	887	870	4.26
13	A	786	772	0.63
14	A	715	702	61.28
15	A	410	403	6.20
16	A	3146	3087	11.86
17	A	3122	3064	5.82
18	A	1293	1269	22.88
19	A	1182	1160	0.09
20	A	1048	1029	7.19
21	A	1026	1006	0.34
22	A	1003	985	5.22
23	A	948	930	0.55
24	A	867	850	8.42
25	A	809	794	13.13
26	A	781	767	24.71
27	A	447	439	1.49

Atom	x (Å)	y (Å)	z (Å)
C1	-0.267	1.045	0.673
C2	-0.267	1.045	-0.673
C3	-0.267	-0.458	0.755
C4	-0.267	-0.458	-0.755
C5	0.920	-0.998	0.000
H6	-0.112	1.820	1.432
H7	-0.112	1.820	-1.432
H8	-0.888	-1.093	1.394
H9	-0.888	-1.093	-1.394
H10	1.858	-0.428	0.000
H11	1.039	-2.091	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3459	1.5053	2.0734	2.4571	1.0960	2.2487	2.3402	3.0378	2.6720	3.4636
C2	1.3459		2.0734	1.5053	2.4571	2.2487	1.0960	3.0378	2.3402	2.6720	3.4636
C3	1.5053	2.0734		1.5105	1.5072	2.3815	3.1621	1.0939	2.3254	2.2556	2.2237
C4	2.0734	1.5053	1.5105		1.5072	3.1621	2.3815	2.3254	1.0939	2.2556	2.2237
C5	2.4571	2.4571	1.5072	1.5072		3.3254	3.3254	2.2850	2.2850	1.0977	1.0997
H6	1.0960	2.2487	2.3815	3.1621	3.3254		2.8645	3.0149	4.1321	3.3144	4.3214
H7	2.2487	1.0960	3.1621	2.3815	3.3254	2.8645		4.1321	3.0149	3.3144	4.3214
H8	2.3402	3.0378	1.0939	2.3254	2.2850	3.0149	4.1321		2.7877	3.1506	2.5795
H9	3.0378	2.3402	2.3254	1.0939	2.2850	4.1321	3.0149	2.7877		3.1506	2.5795
H10	2.6720	2.6720	2.2556	2.2556	1.0977	3.3144	3.3144	3.1506	3.1506		1.8541
H11	3.4636	3.4636	2.2237	2.2237	1.0997	4.3214	4.3214	2.5795	2.5795	1.8541

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.135	C1	C2	H7	133.852
C1	C3	C4	86.865	C1	C3	C5	109.298
C1	C3	H8	127.698	C2	C1	C3	93.135
C2	C1	H6	133.852	C2	C4	C3	86.865
C2	C4	C5	109.298	C2	C4	H9	127.698
C3	C1	H6	131.921	C3	C4	C5	59.926
C3	C4	H9	125.716	C3	C5	C4	60.148
C3	C5	H10	119.140	C3	C5	H11	116.205
C4	C2	H7	131.921	C4	C3	C5	59.926
C4	C3	H8	125.716	C4	C5	H10	119.140
C4	C5	H11	116.205	C5	C3	H8	122.118
C5	C4	H9	122.118	H10	C5	H11	115.076

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

using model chemistry: LSDA/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	-0.134
2	C	-0.134
3	C	-0.175
4	C	-0.175
5	C	-0.371
6	H	0.146
7	H	0.146
8	H	0.171
9	H	0.171
10	H	0.182
11	H	0.172

	x	y	z	Total
	0.152	-0.427	0.000	0.453
CHELPG
AIM
ESP

	x	y	z
x	5.387	-0.395	0.000
y	-0.395	7.820	0.000
z	0.000	0.000	7.122

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31G*

States and conformations

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