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	hartrees
Energy at 0K	-30.721768
Energy at 298.15K	-30.728382
Nuclear repulsion energy	82.674330

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3390	3093	9.65
2	A	3369	3074	57.94
3	A	3355	3061	5.90
4	A	3245	2961	38.79
5	A	1688	1540	12.54
6	A	1600	1460	2.72
7	A	1394	1272	0.46
8	A	1290	1177	1.99
9	A	1190	1086	3.30
10	A	1102	1006	1.43
11	A	1031	941	6.13
12	A	988	902	2.33
13	A	862	787	0.44
14	A	836	763	122.01
15	A	474	432	7.94
16	A	3358	3064	25.47
17	A	3342	3050	0.99
18	A	1424	1300	25.48
19	A	1331	1214	0.05
20	A	1228	1121	2.12
21	A	1159	1057	11.24
22	A	1140	1040	2.16
23	A	1037	946	10.22
24	A	968	884	0.65
25	A	928	847	0.13
26	A	834	761	46.97
27	A	499	455	1.70

Atom	x (Å)	y (Å)	z (Å)
C1	-0.271	1.064	0.675
C2	-0.271	1.064	-0.675
C3	-0.271	-0.471	0.767
C4	-0.271	-0.471	-0.767
C5	0.943	-1.014	0.000
H6	-0.173	1.830	1.420
H7	-0.173	1.830	-1.420
H8	-0.863	-1.077	1.425
H9	-0.863	-1.077	-1.425
H10	1.861	-0.452	0.000
H11	1.067	-2.086	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3492	1.5379	2.1062	2.4995	1.0733	2.2325	2.3443	3.0564	2.7018	3.4880
C2	1.3492		2.1062	1.5379	2.4995	2.2325	1.0733	3.0564	2.3443	2.7018	3.4880
C3	1.5379	2.1062		1.5349	1.5356	2.3937	3.1764	1.0719	2.3503	2.2660	2.2330
C4	2.1062	1.5379	1.5349		1.5356	3.1764	2.3937	2.3503	1.0719	2.2660	2.2330
C5	2.4995	2.4995	1.5356	1.5356		3.3688	3.3688	2.3010	2.3010	1.0759	1.0790
H6	1.0733	2.2325	2.3937	3.1764	3.3688		2.8402	2.9873	4.1255	3.3705	4.3457
H7	2.2325	1.0733	3.1764	2.3937	3.3688	2.8402		4.1255	2.9873	3.3705	4.3457
H8	2.3443	3.0564	1.0719	2.3503	2.3010	2.9873	4.1255		2.8504	3.1363	2.6020
H9	3.0564	2.3443	2.3503	1.0719	2.3010	4.1255	2.9873	2.8504		3.1363	2.6020
H10	2.7018	2.7018	2.2660	2.2660	1.0759	3.3705	3.3705	3.1363	3.1363		1.8162
H11	3.4880	3.4880	2.2330	2.2330	1.0790	4.3457	4.3457	2.6020	2.6020	1.8162

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.462	C1	C2	H7	133.995
C1	C3	C4	86.538	C1	C3	C5	108.823
C1	C3	H8	126.950	C2	C1	C3	93.462
C2	C1	H6	133.995	C2	C4	C3	86.538
C2	C4	C5	108.823	C2	C4	H9	126.950
C3	C1	H6	132.090	C3	C4	C5	60.015
C3	C4	H9	127.853	C3	C5	C4	59.970
C3	C5	H10	119.338	C3	C5	H11	116.218
C4	C2	H7	132.090	C4	C3	C5	60.015
C4	C3	H8	127.853	C4	C5	H10	119.338
C4	C5	H11	116.218	C5	C3	H8	122.889
C5	C4	H9	122.889	H10	C5	H11	114.883

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

using model chemistry: HF/CEP-121G

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	-0.191
2	C	-0.191
3	C	-0.157
4	C	-0.157
5	C	-0.377
6	H	0.196
7	H	0.196
8	H	0.187
9	H	0.187
10	H	0.156
11	H	0.149

	x	y	z	Total
	0.206	-0.418	0.000	0.466
CHELPG
AIM
ESP

	x	y	z
x	9.384	-0.315	0.000
y	-0.315	8.038	0.000
z	0.000	0.000	4.481

<r²>	78.889
(<r²>)^1/2	8.882

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

using model chemistry: HF/CEP-121G

States and conformations

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