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	hartrees
Energy at 0K	-192.950568
Energy at 298.15K	-192.956844
Nuclear repulsion energy	158.712513

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3271	3157	2.73
2	A	3255	3140	27.30
3	A	3236	3122	4.95
4	A	3134	3024	22.81
5	A	1582	1527	4.27
6	A	1509	1456	2.24
7	A	1263	1219	1.56
8	A	1182	1140	3.24
9	A	1112	1073	2.70
10	A	1019	984	1.06
11	A	954	920	4.08
12	A	886	855	6.99
13	A	801	772	2.63
14	A	752	726	71.54
15	A	442	426	6.99
16	A	3253	3139	8.08
17	A	3222	3109	5.07
18	A	1307	1261	25.33
19	A	1239	1196	0.52
20	A	1124	1085	6.51
21	A	1062	1025	4.32
22	A	1052	1015	6.21
23	A	949	916	9.93
24	A	873	842	0.12
25	A	856	825	0.57
26	A	770	743	26.23
27	A	458	442	2.14

Atom	x (Å)	y (Å)	z (Å)
C1	-0.276	1.062	0.675
C2	-0.276	1.062	-0.675
C3	-0.276	-0.478	0.774
C4	-0.276	-0.478	-0.774
C5	0.951	-0.998	0.000
H6	-0.152	1.831	1.423
H7	-0.152	1.831	-1.423
H8	-0.868	-1.097	1.430
H9	-0.868	-1.097	-1.430
H10	1.857	-0.402	0.000
H11	1.089	-2.077	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3496	1.5432	2.1146	2.4901	1.0801	2.2377	2.3620	3.0722	2.6731	3.4882
C2	1.3496		2.1146	1.5432	2.4901	2.2377	1.0801	3.0722	2.3620	2.6731	3.4882
C3	1.5432	2.1146		1.5489	1.5409	2.4016	3.1899	1.0782	2.3647	2.2699	2.2400
C4	2.1146	1.5432	1.5489		1.5409	3.1899	2.4016	2.3647	1.0782	2.2699	2.2400
C5	2.4901	2.4901	1.5409	1.5409		3.3526	3.3526	2.3158	2.3158	1.0836	1.0880
H6	1.0801	2.2377	2.4016	3.1899	3.3526		2.8460	3.0137	4.1498	3.3233	4.3396
H7	2.2377	1.0801	3.1899	2.4016	3.3526	2.8460		4.1498	3.0137	3.3233	4.3396
H8	2.3620	3.0722	1.0782	2.3647	2.3158	3.0137	4.1498		2.8596	3.1543	2.6144
H9	3.0722	2.3620	2.3647	1.0782	2.3158	4.1498	3.0137	2.8596		3.1543	2.6144
H10	2.6731	2.6731	2.2699	2.2699	1.0836	3.3233	3.3233	3.1543	3.1543		1.8419
H11	3.4882	3.4882	2.2400	2.2400	1.0880	4.3396	4.3396	2.6144	2.6144	1.8419

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.703	C1	C2	H7	133.844
C1	C3	C4	86.297	C1	C3	C5	107.686
C1	C3	H8	127.700	C2	C1	C3	93.703
C2	C1	H6	133.844	C2	C4	C3	86.297
C2	C4	C5	107.686	C2	C4	H9	127.700
C3	C1	H6	131.744	C3	C4	C5	59.828
C3	C4	H9	127.433	C3	C5	C4	60.343
C3	C5	H10	118.701	C3	C5	H11	115.801
C4	C2	H7	131.744	C4	C3	C5	59.828
C4	C3	H8	127.433	C4	C5	H10	118.701
C4	C5	H11	115.801	C5	C3	H8	123.335
C5	C4	H9	123.335	H10	C5	H11	116.026

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

using model chemistry: B3LYP/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	ESP
1	C	-0.119	-0.226
2	C	-0.119	-0.226
3	C	-0.280	-0.054
4	C	-0.280	-0.054
5	C	-0.311	-0.400
6	H	0.170	0.181
7	H	0.170	0.181
8	H	0.182	0.124
9	H	0.182	0.124
10	H	0.207	0.187
11	H	0.200	0.165

	x	y	z	Total
	0.192	-0.356	0.000	0.405
CHELPG
AIM
ESP	0.155	-0.274	0.000	0.314

	x	y	z
x	4.807	-0.473	0.000
y	-0.473	7.085	0.000
z	0.000	0.000	6.767

<r²>	88.632
(<r²>)^1/2	9.414

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

using model chemistry: B3LYP/3-21G

States and conformations

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