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	hartrees
Energy at 0K	-192.638876
Energy at 298.15K	-192.645476
Nuclear repulsion energy	159.639665

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3458	3114	11.62
2	A	3434	3092	39.84
3	A	3413	3073	11.98
4	A	3307	2977	39.57
5	A	1715	1544	13.33
6	A	1619	1457	2.68
7	A	1407	1267	0.40
8	A	1299	1169	3.21
9	A	1201	1082	4.85
10	A	1120	1009	2.77
11	A	1044	940	7.94
12	A	1002	902	3.75
13	A	869	782	0.40
14	A	843	759	119.00
15	A	478	431	9.76
16	A	3424	3083	19.23
17	A	3413	3073	0.11
18	A	1436	1293	25.12
19	A	1350	1216	0.04
20	A	1248	1124	2.66
21	A	1173	1056	13.79
22	A	1147	1033	1.14
23	A	1054	949	8.48
24	A	976	879	0.56
25	A	933	840	0.17
26	A	838	754	49.53
27	A	501	451	1.65

Atom	x (Å)	y (Å)	z (Å)
C1	-0.270	1.062	0.673
C2	-0.270	1.062	-0.673
C3	-0.270	-0.469	0.765
C4	-0.270	-0.469	-0.765
C5	0.939	-1.014	0.000
H6	-0.177	1.826	1.416
H7	-0.177	1.826	-1.416
H8	-0.861	-1.070	1.421
H9	-0.861	-1.070	-1.421
H10	1.859	-0.461	0.000
H11	1.059	-2.083	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3451	1.5338	2.1002	2.4947	1.0696	2.2254	2.3361	3.0465	2.7027	3.4799
C2	1.3451		2.1002	1.5338	2.4947	2.2254	1.0696	3.0465	2.3361	2.7027	3.4799
C3	1.5338	2.1002		1.5303	1.5313	2.3869	3.1670	1.0685	2.3435	2.2626	2.2263
C4	2.1002	1.5338	1.5303		1.5313	3.1670	2.3869	2.3435	1.0685	2.2626	2.2263
C5	2.4947	2.4947	1.5313	1.5313		3.3633	3.3633	2.2945	2.2945	1.0734	1.0760
H6	1.0696	2.2254	2.3869	3.1670	3.3633		2.8311	2.9760	4.1116	3.3729	4.3369
H7	2.2254	1.0696	3.1670	2.3869	3.3633	2.8311		4.1116	2.9760	3.3729	4.3369
H8	2.3361	3.0465	1.0685	2.3435	2.2945	2.9760	4.1116		2.8428	3.1292	2.5944
H9	3.0465	2.3361	2.3435	1.0685	2.2945	4.1116	2.9760	2.8428		3.1292	2.5944
H10	2.7027	2.7027	2.2626	2.2626	1.0734	3.3729	3.3729	3.1292	3.1292		1.8092
H11	3.4799	3.4799	2.2263	2.2263	1.0760	4.3369	4.3369	2.5944	2.5944	1.8092

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.461	C1	C2	H7	133.997
C1	C3	C4	86.539	C1	C3	C5	108.961
C1	C3	H8	126.797	C2	C1	C3	93.461
C2	C1	H6	133.997	C2	C4	C3	86.539
C2	C4	C5	108.961	C2	C4	H9	126.797
C3	C1	H6	132.130	C3	C4	C5	60.020
C3	C4	H9	127.892	C3	C5	C4	59.959
C3	C5	H10	119.578	C3	C5	H11	116.175
C4	C2	H7	132.130	C4	C3	C5	60.020
C4	C3	H8	127.892	C4	C5	H10	119.578
C4	C5	H11	116.175	C5	C3	H8	122.919
C5	C4	H9	122.919	H10	C5	H11	114.646

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

using model chemistry: HF/SDD

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	-0.203
2	C	-0.203
3	C	-0.249
4	C	-0.249
5	C	-0.389
6	H	0.216
7	H	0.216
8	H	0.225
9	H	0.225
10	H	0.192
11	H	0.216

	x	y	z	Total
	0.247	-0.417	0.000	0.485
CHELPG
AIM
ESP

	x	y	z
x	8.813	-0.307	0.000
y	-0.307	7.582	0.000
z	0.000	0.000	3.678

<r²>	93.508
(<r²>)^1/2	9.670

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

using model chemistry: HF/SDD

States and conformations

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