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	hartrees
Energy at 0K	-193.879706
Energy at 298.15K	-193.886038
Nuclear repulsion energy	159.792031

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3288	3136	5.81
2	A	3274	3122	36.60
3	A	3251	3101	6.83
4	A	3153	3007	25.46
5	A	1618	1543	4.76
6	A	1504	1435	2.99
7	A	1312	1251	2.11
8	A	1218	1161	2.63
9	A	1129	1077	2.40
10	A	1053	1004	1.75
11	A	981	936	5.35
12	A	910	868	3.64
13	A	831	792	0.15
14	A	764	728	78.88
15	A	434	414	6.06
16	A	3266	3115	13.58
17	A	3243	3093	5.28
18	A	1331	1269	24.12
19	A	1250	1192	0.18
20	A	1136	1083	4.33
21	A	1071	1021	12.04
22	A	1061	1011	0.20
23	A	966	921	6.61
24	A	913	871	4.50
25	A	848	808	0.46
26	A	799	762	31.26
27	A	466	444	1.45

Atom	x (Å)	y (Å)	z (Å)
C1	-0.270	1.056	0.675
C2	-0.270	1.056	-0.675
C3	-0.270	-0.466	0.765
C4	-0.270	-0.466	-0.765
C5	0.933	-1.006	0.000
H6	-0.146	1.823	1.427
H7	-0.146	1.823	-1.427
H8	-0.872	-1.082	1.416
H9	-0.872	-1.082	-1.416
H10	1.856	-0.437	0.000
H11	1.063	-2.085	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3496	1.5247	2.0950	2.4807	1.0815	2.2409	2.3417	3.0504	2.6836	3.4784
C2	1.3496		2.0950	1.5247	2.4807	2.2409	1.0815	3.0504	2.3417	2.6836	3.4784
C3	1.5247	2.0950		1.5295	1.5241	2.3863	3.1717	1.0796	2.3444	2.2594	2.2322
C4	2.0950	1.5247	1.5295		1.5241	3.1717	2.3863	2.3444	1.0796	2.2594	2.2322
C5	2.4807	2.4807	1.5241	1.5241		3.3474	3.3474	2.2948	2.2948	1.0848	1.0870
H6	1.0815	2.2409	2.3863	3.1717	3.3474		2.8541	2.9947	4.1290	3.3393	4.3329
H7	2.2409	1.0815	3.1717	2.3863	3.3474	2.8541		4.1290	2.9947	3.3393	4.3329
H8	2.3417	3.0504	1.0796	2.3444	2.2948	2.9947	4.1290		2.8313	3.1403	2.5985
H9	3.0504	2.3417	2.3444	1.0796	2.2948	4.1290	2.9947	2.8313		3.1403	2.5985
H10	2.6836	2.6836	2.2594	2.2594	1.0848	3.3393	3.3393	3.1403	3.1403		1.8297
H11	3.4784	3.4784	2.2322	2.2322	1.0870	4.3329	4.3329	2.5985	2.5985	1.8297

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.382	C1	C2	H7	134.072
C1	C3	C4	86.618	C1	C3	C5	108.911
C1	C3	H8	127.257	C2	C1	C3	93.382
C2	C1	H6	134.072	C2	C4	C3	86.618
C2	C4	C5	108.911	C2	C4	H9	127.257
C3	C1	H6	131.840	C3	C4	C5	59.882
C3	C4	H9	127.076	C3	C5	C4	60.236
C3	C5	H10	119.044	C3	C5	H11	116.496
C4	C2	H7	131.840	C4	C3	C5	59.882
C4	C3	H8	127.076	C4	C5	H10	119.044
C4	C5	H11	116.496	C5	C3	H8	122.692
C5	C4	H9	122.692	H10	C5	H11	114.809

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	-0.101
2	C	-0.101
3	C	-0.235
4	C	-0.235
5	C	-0.292
6	H	0.151
7	H	0.151
8	H	0.165
9	H	0.165
10	H	0.171
11	H	0.162

	x	y	z	Total
	0.155	-0.382	0.000	0.412
CHELPG
AIM
ESP

	x	y	z
x	5.158	-0.456	0.000
y	-0.456	7.368	0.000
z	0.000	0.000	7.047

<r²>	87.636
(<r²>)^1/2	9.361

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)