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	hartrees
Energy at 0K	-190.377996
Energy at 298.15K	-190.384587
Nuclear repulsion energy	160.658425

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3793	3097	0.20
2	A	3772	3080	0.12
3	A	3749	3061	1.42
4	A	3635	2968	2.23
5	A	1959	1599	1.80
6	A	1777	1451	0.66
7	A	1588	1297	0.15
8	A	1452	1186	1.29
9	A	1292	1055	3.37
10	A	1218	994	6.19
11	A	1193	974	3.01
12	A	1123	917	1.73
13	A	982	802	0.19
14	A	897	733	25.05
15	A	504	412	1.43
16	A	3735	3049	15.28
17	A	3712	3031	10.40
18	A	1590	1298	20.99
19	A	1436	1173	0.01
20	A	1379	1126	0.57
21	A	1300	1062	0.35
22	A	1246	1017	0.43
23	A	1148	938	4.96
24	A	1106	903	1.68
25	A	1003	819	0.01
26	A	959	783	9.03
27	A	555	453	1.51

Atom	x (Å)	y (Å)	z (Å)
C1	-0.270	1.055	0.659
C2	-0.270	1.055	-0.659
C3	-0.270	-0.474	0.754
C4	-0.270	-0.474	-0.754
C5	0.937	-0.991	0.000
H6	-0.178	1.819	1.418
H7	-0.178	1.819	-1.418
H8	-0.858	-1.085	1.425
H9	-0.858	-1.085	-1.425
H10	1.861	-0.427	0.000
H11	1.079	-2.065	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3180	1.5321	2.0820	2.4650	1.0815	2.2155	2.3472	3.0438	2.6783	3.4628
C2	1.3180		2.0820	1.5321	2.4650	2.2155	1.0815	3.0438	2.3472	2.6783	3.4628
C3	1.5321	2.0820		1.5078	1.5139	2.3897	3.1604	1.0806	2.3374	2.2614	2.2182
C4	2.0820	1.5321	1.5078		1.5139	3.1604	2.3897	2.3374	1.0806	2.2614	2.2182
C5	2.4650	2.4650	1.5139	1.5139		3.3396	3.3396	2.2930	2.2930	1.0831	1.0839
H6	1.0815	2.2155	2.3897	3.1604	3.3396		2.8368	2.9825	4.1204	3.3492	4.3225
H7	2.2155	1.0815	3.1604	2.3897	3.3396	2.8368		4.1204	2.9825	3.3492	4.3225
H8	2.3472	3.0438	1.0806	2.3374	2.2930	2.9825	4.1204		2.8491	3.1393	2.5965
H9	3.0438	2.3472	2.3374	1.0806	2.2930	4.1204	2.9825	2.8491		3.1393	2.5965
H10	2.6783	2.6783	2.2614	2.2614	1.0831	3.3492	3.3492	3.1393	3.1393		1.8158
H11	3.4628	3.4628	2.2182	2.2182	1.0839	4.3225	4.3225	2.5965	2.5965	1.8158

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.552	C1	C2	H7	134.606
C1	C3	C4	86.448	C1	C3	C5	108.048
C1	C3	H8	127.037	C2	C1	C3	93.552
C2	C1	H6	134.606	C2	C4	C3	86.448
C2	C4	C5	108.048	C2	C4	H9	127.037
C3	C1	H6	131.452	C3	C4	C5	60.133
C3	C4	H9	128.363	C3	C5	C4	59.734
C3	C5	H10	120.185	C3	C5	H11	116.297
C4	C2	H7	131.452	C4	C3	C5	60.133
C4	C3	H8	128.363	C4	C5	H10	120.185
C4	C5	H11	116.297	C5	C3	H8	123.344
C5	C4	H9	123.344	H10	C5	H11	113.841

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

using model chemistry: HF/STO-3G

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	-0.063
2	C	-0.063
3	C	-0.074
4	C	-0.074
5	C	-0.120
6	H	0.061
7	H	0.061
8	H	0.068
9	H	0.068
10	H	0.068
11	H	0.068

	x	y	z	Total
	0.105	-0.220	0.000	0.244
CHELPG
AIM
ESP

	x	y	z
x	2.567	-0.278	0.000
y	-0.278	4.038	0.000
z	0.000	0.000	4.160

<r²>	86.285
(<r²>)^1/2	9.289

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

using model chemistry: HF/STO-3G

States and conformations

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