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	hartrees
Energy at 0K	-192.856471
Energy at 298.15K	-192.862777
Nuclear repulsion energy	159.474120

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3297	3155	1.92
2	A	3275	3133	22.08
3	A	3258	3117	3.99
4	A	3153	3017	19.67
5	A	1594	1525	4.06
6	A	1496	1432	3.63
7	A	1271	1216	2.57
8	A	1192	1140	3.55
9	A	1113	1065	2.96
10	A	1027	982	1.43
11	A	962	921	5.54
12	A	909	870	7.02
13	A	819	783	0.07
14	A	757	725	81.26
15	A	441	422	7.63
16	A	3279	3137	5.41
17	A	3241	3101	4.45
18	A	1308	1251	27.96
19	A	1234	1181	0.48
20	A	1124	1076	7.60
21	A	1062	1016	7.48
22	A	1053	1008	4.70
23	A	953	912	8.87
24	A	886	847	1.03
25	A	858	821	0.02
26	A	785	751	28.85
27	A	460	440	1.68

Atom	x (Å)	y (Å)	z (Å)
C1	-0.277	1.052	0.674
C2	-0.277	1.052	-0.674
C3	-0.277	-0.480	0.769
C4	-0.277	-0.480	-0.769
C5	0.952	-0.979	0.000
H6	-0.153	1.819	1.422
H7	-0.153	1.819	-1.422
H8	-0.859	-1.102	1.427
H9	-0.859	-1.102	-1.427
H10	1.841	-0.361	0.000
H11	1.112	-2.053	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3472	1.5350	2.1046	2.4667	1.0789	2.2351	2.3550	3.0647	2.6331	3.4675
C2	1.3472		2.1046	1.5350	2.4667	2.2351	1.0789	3.0647	2.3550	2.6331	3.4675
C3	1.5350	2.1046		1.5388	1.5329	2.3932	3.1787	1.0765	2.3563	2.2564	2.2349
C4	2.1046	1.5350	1.5388		1.5329	3.1787	2.3932	2.3563	1.0765	2.2564	2.2349
C5	2.4667	2.4667	1.5329	1.5329		3.3271	3.3271	2.3094	2.3094	1.0827	1.0867
H6	1.0789	2.2351	2.3932	3.1787	3.3271		2.8440	3.0050	4.1412	3.2789	4.3148
H7	2.2351	1.0789	3.1787	2.3932	3.3271	2.8440		4.1412	3.0050	3.2789	4.3148
H8	2.3550	3.0647	1.0765	2.3563	2.3094	3.0050	4.1412		2.8548	3.1431	2.6132
H9	3.0647	2.3550	2.3563	1.0765	2.3094	4.1412	3.0050	2.8548		3.1431	2.6132
H10	2.6331	2.6331	2.2564	2.2564	1.0827	3.2789	3.2789	3.1431	3.1431		1.8430
H11	3.4675	3.4675	2.2349	2.2349	1.0867	4.3148	4.3148	2.6132	2.6132	1.8430

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.578	C1	C2	H7	133.923
C1	C3	C4	86.422	C1	C3	C5	107.038
C1	C3	H8	127.917	C2	C1	C3	93.578
C2	C1	H6	133.923	C2	C4	C3	86.422
C2	C4	C5	107.038	C2	C4	H9	127.917
C3	C1	H6	131.796	C3	C4	C5	59.872
C3	C4	H9	127.678	C3	C5	C4	60.256
C3	C5	H10	118.216	C3	C5	H11	116.071
C4	C2	H7	131.796	C4	C3	C5	59.872
C4	C3	H8	127.678	C4	C5	H10	118.216
C4	C5	H11	116.071	C5	C3	H8	123.568
C5	C4	H9	123.568	H10	C5	H11	116.323

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

using model chemistry: B1B95/3-21G

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	-0.137
2	C	-0.137
3	C	-0.317
4	C	-0.317
5	C	-0.345
6	H	0.192
7	H	0.192
8	H	0.208
9	H	0.208
10	H	0.230
11	H	0.221

	x	y	z	Total
	0.218	-0.379	0.000	0.437
CHELPG
AIM
ESP

	x	y	z
x	4.803	-0.470	0.000
y	-0.470	7.029	0.000
z	0.000	0.000	6.738

<r²>	87.731
(<r²>)^1/2	9.366

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

using model chemistry: B1B95/3-21G

States and conformations

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