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	hartrees
Energy at 0K	-192.932263
Energy at 298.15K	-192.938397
Nuclear repulsion energy	160.699442

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3156	3108	2.40
2	A	3148	3101	29.37
3	A	3135	3088	2.43
4	A	3039	2993	24.81
5	A	1583	1560	6.98
6	A	1412	1391	5.78
7	A	1285	1265	3.16
8	A	1186	1168	1.64
9	A	1082	1066	2.96
10	A	1009	994	2.75
11	A	943	929	5.94
12	A	875	862	3.01
13	A	781	769	0.80
14	A	710	699	79.87
15	A	410	404	8.81
16	A	3141	3094	10.59
17	A	3120	3073	4.21
18	A	1279	1260	26.00
19	A	1173	1156	0.06
20	A	1037	1021	6.29
21	A	1012	997	0.26
22	A	991	977	9.82
23	A	941	927	0.42
24	A	866	853	8.67
25	A	806	793	13.77
26	A	778	766	30.73
27	A	441	435	0.67

Atom	x (Å)	y (Å)	z (Å)
C1	-0.267	1.045	0.674
C2	-0.267	1.045	-0.674
C3	-0.267	-0.458	0.756
C4	-0.267	-0.458	-0.756
C5	0.921	-0.997	0.000
H6	-0.120	1.821	1.433
H7	-0.120	1.821	-1.433
H8	-0.885	-1.095	1.397
H9	-0.885	-1.095	-1.397
H10	1.856	-0.421	0.000
H11	1.042	-2.090	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3485	1.5057	2.0753	2.4572	1.0955	2.2508	2.3412	3.0412	2.6672	3.4636
C2	1.3485		2.0753	1.5057	2.4572	2.2508	1.0955	3.0412	2.3412	2.6672	3.4636
C3	1.5057	2.0753		1.5126	1.5084	2.3825	3.1642	1.0937	2.3286	2.2547	2.2244
C4	2.0753	1.5057	1.5126		1.5084	3.1642	2.3825	2.3286	1.0937	2.2547	2.2244
C5	2.4572	2.4572	1.5084	1.5084		3.3287	3.3287	2.2855	2.2855	1.0980	1.0994
H6	1.0955	2.2508	2.3825	3.1642	3.3287		2.8668	3.0144	4.1348	3.3147	4.3242
H7	2.2508	1.0955	3.1642	2.3825	3.3287	2.8668		4.1348	3.0144	3.3147	4.3242
H8	2.3412	3.0412	1.0937	2.3286	2.2855	3.0144	4.1348		2.7941	3.1493	2.5797
H9	3.0412	2.3412	2.3286	1.0937	2.2855	4.1348	3.0144	2.7941		3.1493	2.5797
H10	2.6672	2.6672	2.2547	2.2547	1.0980	3.3147	3.3147	3.1493	3.1493		1.8567
H11	3.4636	3.4636	2.2244	2.2244	1.0994	4.3242	4.3242	2.5797	2.5797	1.8567

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.123	C1	C2	H7	133.864
C1	C3	C4	86.877	C1	C3	C5	109.217
C1	C3	H8	127.781	C2	C1	C3	93.123
C2	C1	H6	133.864	C2	C4	C3	86.877
C2	C4	C5	109.217	C2	C4	H9	127.781
C3	C1	H6	132.029	C3	C4	C5	59.909
C3	C4	H9	125.864	C3	C5	C4	60.181
C3	C5	H10	118.934	C3	C5	H11	116.190
C4	C2	H7	132.029	C4	C3	C5	59.909
C4	C3	H8	125.864	C4	C5	H10	118.934
C4	C5	H11	116.190	C5	C3	H8	122.068
C5	C4	H9	122.068	H10	C5	H11	115.332

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

using model chemistry: LSDA/6-31+G**

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	-0.155
2	C	-0.155
3	C	-0.147
4	C	-0.147
5	C	-0.411
6	H	0.152
7	H	0.152
8	H	0.174
9	H	0.174
10	H	0.187
11	H	0.178

	x	y	z	Total
	0.190	-0.537	0.000	0.569
CHELPG
AIM
ESP

	x	y	z
x	7.138	-0.506	0.000
y	-0.506	8.948	0.000
z	0.000	0.000	8.388

<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/6-31+G**

States and conformations

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