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	hartrees
Energy at 0K	-192.638029
Energy at 298.15K	-192.644628
Nuclear repulsion energy	159.628907

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3459	3113	11.97
2	A	3435	3091	41.09
3	A	3414	3072	12.20
4	A	3307	2976	40.19
5	A	1715	1543	13.41
6	A	1619	1457	2.61
7	A	1408	1267	0.39
8	A	1299	1169	3.24
9	A	1201	1081	4.81
10	A	1120	1008	2.81
11	A	1044	940	8.02
12	A	1002	902	3.77
13	A	869	782	0.39
14	A	843	759	118.96
15	A	478	431	9.75
16	A	3425	3082	20.02
17	A	3413	3072	0.07
18	A	1436	1292	25.08
19	A	1350	1215	0.04
20	A	1248	1123	2.67
21	A	1173	1056	13.65
22	A	1147	1032	1.10
23	A	1054	948	8.40
24	A	976	879	0.59
25	A	933	840	0.17
26	A	838	754	49.42
27	A	501	451	1.66

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	1.422
H9	-0.861	-1.070	-1.422
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		1.3455	1.5339	2.1004	2.4949	1.0696	2.2257	2.3361	3.0469	2.7031	3.4802
C2	1.3455		2.1004	1.5339	2.4949	2.2257	1.0696	3.0469	2.3361	2.7031	3.4802
C3	1.5339	2.1004		1.5302	1.5312	2.3872	3.1672	1.0686	2.3437	2.2627	2.2265
C4	2.1004	1.5339	1.5302		1.5312	3.1672	2.3872	2.3437	1.0686	2.2627	2.2265
C5	2.4949	2.4949	1.5312	1.5312		3.3636	3.3636	2.2945	2.2945	1.0734	1.0761
H6	1.0696	2.2257	2.3872	3.1672	3.3636		2.8315	2.9760	4.1119	3.3734	4.3373
H7	2.2257	1.0696	3.1672	2.3872	3.3636	2.8315		4.1119	2.9760	3.3734	4.3373
H8	2.3361	3.0469	1.0686	2.3437	2.2945	2.9760	4.1119		2.8435	3.1293	2.5947
H9	3.0469	2.3361	2.3437	1.0686	2.2945	4.1119	2.9760	2.8435		3.1293	2.5947
H10	2.7031	2.7031	2.2627	2.2627	1.0734	3.3734	3.3734	3.1293	3.1293		1.8090
H11	3.4802	3.4802	2.2265	2.2265	1.0761	4.3373	4.3373	2.5947	2.5947	1.8090

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.453	C1	C2	H7	133.997
C1	C3	C4	86.547	C1	C3	C5	108.970
C1	C3	H8	126.782	C2	C1	C3	93.453
C2	C1	H6	133.997	C2	C4	C3	86.547
C2	C4	C5	108.970	C2	C4	H9	126.782
C3	C1	H6	132.140	C3	C4	C5	60.021
C3	C4	H9	127.913	C3	C5	C4	59.957
C3	C5	H10	119.583	C3	C5	H11	116.193
C4	C2	H7	132.140	C4	C3	C5	60.021
C4	C3	H8	127.913	C4	C5	H10	119.583
C4	C5	H11	116.193	C5	C3	H8	122.919
C5	C4	H9	122.919	H10	C5	H11	114.619

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

using model chemistry: HF/LANL2DZ

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	-0.205
2	C	-0.205
3	C	-0.247
4	C	-0.247
5	C	-0.384
6	H	0.217
7	H	0.217
8	H	0.225
9	H	0.225
10	H	0.191
11	H	0.212

	x	y	z	Total
	0.248	-0.418	0.000	0.486
CHELPG
AIM
ESP

	x	y	z
x	8.819	-0.308	0.000
y	-0.308	7.587	0.000
z	0.000	0.000	3.642

<r²>	93.538
(<r²>)^1/2	9.672

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

using model chemistry: HF/LANL2DZ

States and conformations

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