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	hartrees
Energy at 0K	-193.934029
Energy at 298.15K	-193.940313
Nuclear repulsion energy	161.015955

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3258	3093	6.45
2	A	3250	3085	46.32
3	A	3237	3073	2.38
4	A	3147	2988	30.27
5	A	1650	1567	5.30
6	A	1502	1426	1.21
7	A	1336	1268	1.06
8	A	1231	1168	1.40
9	A	1131	1073	1.38
10	A	1052	999	2.13
11	A	984	934	3.21
12	A	912	866	3.73
13	A	822	780	0.25
14	A	750	712	60.68
15	A	421	400	5.29
16	A	3242	3078	20.30
17	A	3221	3058	6.84
18	A	1343	1275	20.69
19	A	1235	1172	0.06
20	A	1100	1044	5.24
21	A	1063	1010	1.82
22	A	1053	1000	3.23
23	A	976	927	2.41
24	A	907	861	9.55
25	A	835	792	9.54
26	A	802	761	23.78
27	A	461	437	1.63

Atom	x (Å)	y (Å)	z (Å)
C1	-0.268	1.048	0.670
C2	-0.268	1.048	-0.670
C3	-0.268	-0.460	0.755
C4	-0.268	-0.460	-0.755
C5	0.922	-0.999	0.000
H6	-0.123	1.816	1.422
H7	-0.123	1.816	-1.422
H8	-0.880	-1.086	1.392
H9	-0.880	-1.086	-1.392
H10	1.852	-0.436	0.000
H11	1.041	-2.080	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3391	1.5105	2.0745	2.4601	1.0845	2.2325	2.3342	3.0292	2.6723	3.4562
C2	1.3391		2.0745	1.5105	2.4601	2.2325	1.0845	3.0292	2.3342	2.6723	3.4562
C3	1.5105	2.0745		1.5099	1.5086	2.3760	3.1526	1.0826	2.3184	2.2497	2.2151
C4	2.0745	1.5105	1.5099		1.5086	3.1526	2.3760	2.3184	1.0826	2.2497	2.2151
C5	2.4601	2.4601	1.5086	1.5086		3.3219	3.3219	2.2791	2.2791	1.0861	1.0882
H6	1.0845	2.2325	2.3760	3.1526	3.3219		2.8434	2.9986	4.1118	3.3155	4.3076
H7	2.2325	1.0845	3.1526	2.3760	3.3219	2.8434		4.1118	2.9986	3.3155	4.3076
H8	2.3342	3.0292	1.0826	2.3184	2.2791	2.9986	4.1118		2.7836	3.1339	2.5724
H9	3.0292	2.3342	2.3184	1.0826	2.2791	4.1118	2.9986	2.7836		3.1339	2.5724
H10	2.6723	2.6723	2.2497	2.2497	1.0861	3.3155	3.3155	3.1339	3.1339		1.8332
H11	3.4562	3.4562	2.2151	2.2151	1.0882	4.3076	4.3076	2.5724	2.5724	1.8332

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.240	C1	C2	H7	133.908
C1	C3	C4	86.760	C1	C3	C5	109.147
C1	C3	H8	127.590	C2	C1	C3	93.240
C2	C1	H6	133.908	C2	C4	C3	86.760
C2	C4	C5	109.147	C2	C4	H9	127.590
C3	C1	H6	131.892	C3	C4	C5	59.972
C3	C4	H9	126.035	C3	C5	C4	60.056
C3	C5	H10	119.341	C3	C5	H11	116.141
C4	C2	H7	131.892	C4	C3	C5	59.972
C4	C3	H8	126.035	C4	C5	H10	119.341
C4	C5	H11	116.141	C5	C3	H8	122.318
C5	C4	H9	122.318	H10	C5	H11	114.941

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

using model chemistry: B1B95/6-31G*

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	-0.130
2	C	-0.130
3	C	-0.191
4	C	-0.191
5	C	-0.337
6	H	0.148
7	H	0.148
8	H	0.169
9	H	0.169
10	H	0.177
11	H	0.168

	x	y	z	Total
	0.146	-0.352	0.000	0.381
CHELPG
AIM
ESP

	x	y	z
x	5.272	-0.409	0.000
y	-0.409	7.514	0.000
z	0.000	0.000	7.038

<r²>	86.466
(<r²>)^1/2	9.299

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

using model chemistry: B1B95/6-31G*

States and conformations

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