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	hartrees
Energy at 0K	-192.923943
Energy at 298.15K	-192.930094
Nuclear repulsion energy	160.833974

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3160	3100	2.41
2	A	3152	3093	30.04
3	A	3142	3083	1.17
4	A	3045	2988	22.78
5	A	1599	1569	3.84
6	A	1421	1394	2.91
7	A	1292	1268	2.77
8	A	1192	1169	1.76
9	A	1087	1067	2.05
10	A	1014	995	2.28
11	A	947	929	3.96
12	A	887	870	4.17
13	A	785	770	0.48
14	A	715	701	59.53
15	A	410	403	5.66
16	A	3146	3087	10.22
17	A	3123	3064	4.64
18	A	1287	1263	22.37
19	A	1177	1155	0.05
20	A	1043	1023	6.42
21	A	1021	1002	0.30
22	A	1000	981	5.38
23	A	946	929	0.55
24	A	868	852	8.67
25	A	809	794	12.12
26	A	780	766	23.89
27	A	446	438	1.50

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	-0.997	0.000
H6	-0.115	1.820	1.432
H7	-0.115	1.820	-1.432
H8	-0.886	-1.093	1.395
H9	-0.886	-1.093	-1.395
H10	1.856	-0.424	0.000
H11	1.041	-2.089	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3458	1.5054	2.0733	2.4561	1.0951	2.2478	2.3401	3.0381	2.6685	3.4621
C2	1.3458		2.0733	1.5054	2.4561	2.2478	1.0951	3.0381	2.3401	2.6685	3.4621
C3	1.5054	2.0733		1.5102	1.5070	2.3812	3.1613	1.0931	2.3253	2.2541	2.2229
C4	2.0733	1.5054	1.5102		1.5070	3.1613	2.3812	2.3253	1.0931	2.2541	2.2229
C5	2.4561	2.4561	1.5070	1.5070		3.3248	3.3248	2.2840	2.2840	1.0971	1.0990
H6	1.0951	2.2478	2.3812	3.1613	3.3248		2.8633	3.0137	4.1314	3.3121	4.3202
H7	2.2478	1.0951	3.1613	2.3812	3.3248	2.8633		4.1314	3.0137	3.3121	4.3202
H8	2.3401	3.0381	1.0931	2.3253	2.2840	3.0137	4.1314		2.7892	3.1482	2.5782
H9	3.0381	2.3401	2.3253	1.0931	2.2840	4.1314	3.0137	2.7892		3.1482	2.5782
H10	2.6685	2.6685	2.2541	2.2541	1.0971	3.3121	3.3121	3.1482	3.1482		1.8540
H11	3.4621	3.4621	2.2229	2.2229	1.0990	4.3202	4.3202	2.5782	2.5782	1.8540

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.130	C1	C2	H7	133.857
C1	C3	C4	86.870	C1	C3	C5	109.237
C1	C3	H8	127.754	C2	C1	C3	93.130
C2	C1	H6	133.857	C2	C4	C3	86.870
C2	C4	C5	109.237	C2	C4	H9	127.754
C3	C1	H6	131.961	C3	C4	C5	59.931
C3	C4	H9	125.806	C3	C5	C4	60.138
C3	C5	H10	119.062	C3	C5	H11	116.200
C4	C2	H7	131.961	C4	C3	C5	59.931
C4	C3	H8	125.806	C4	C5	H10	119.062
C4	C5	H11	116.200	C5	C3	H8	122.090
C5	C4	H9	122.090	H10	C5	H11	115.180

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	-0.093
2	C	-0.093
3	C	-0.145
4	C	-0.145
5	C	-0.284
6	H	0.108
7	H	0.108
8	H	0.131
9	H	0.131
10	H	0.144
11	H	0.138

	x	y	z	Total
	0.154	-0.427	0.000	0.454
CHELPG
AIM
ESP

	x	y	z
x	5.437	-0.392	0.000
y	-0.392	7.875	0.000
z	0.000	0.000	7.183

<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)