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	hartrees
Energy at 0K	-192.919784
Energy at 298.15K	-192.925903
Nuclear repulsion energy	160.383087

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3151	3116	5.24
2	A	3143	3108	22.56
3	A	3131	3097	0.54
4	A	3028	2995	21.76
5	A	1588	1571	3.59
6	A	1384	1369	3.98
7	A	1275	1261	3.36
8	A	1179	1166	1.38
9	A	1066	1054	2.63
10	A	990	979	2.24
11	A	930	920	4.86
12	A	879	869	3.26
13	A	766	757	0.40
14	A	705	697	60.33
15	A	406	402	5.92
16	A	3134	3099	8.62
17	A	3114	3080	3.27
18	A	1267	1253	22.91
19	A	1150	1138	0.14
20	A	1024	1013	5.35
21	A	1005	994	0.08
22	A	980	969	5.57
23	A	932	922	0.28
24	A	864	855	7.88
25	A	805	796	10.50
26	A	774	766	28.66
27	A	442	437	1.18

Atom	x (Å)	y (Å)	z (Å)
C1	-0.268	1.046	0.675
C2	-0.268	1.046	-0.675
C3	-0.268	-0.460	0.758
C4	-0.268	-0.460	-0.758
C5	0.923	-0.996	0.000
H6	-0.121	1.828	1.437
H7	-0.121	1.828	-1.437
H8	-0.888	-1.101	1.401
H9	-0.888	-1.101	-1.401
H10	1.860	-0.413	0.000
H11	1.043	-2.095	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3498	1.5083	2.0787	2.4582	1.1018	2.2571	2.3497	3.0501	2.6666	3.4698
C2	1.3498		2.0787	1.5083	2.4582	2.2571	1.1018	3.0501	2.3497	2.6666	3.4698
C3	1.5083	2.0787		1.5157	1.5097	2.3910	3.1740	1.0996	2.3358	2.2592	2.2284
C4	2.0787	1.5083	1.5157		1.5097	3.1740	2.3910	2.3358	1.0996	2.2592	2.2284
C5	2.4582	2.4582	1.5097	1.5097		3.3360	3.3360	2.2921	2.2921	1.1039	1.1055
H6	1.1018	2.2571	2.3910	3.1740	3.3360		2.8749	3.0275	4.1498	3.3181	4.3368
H7	2.2571	1.1018	3.1740	2.3910	3.3360	2.8749		4.1498	3.0275	3.3181	4.3368
H8	2.3497	3.0501	1.0996	2.3358	2.2921	3.0275	4.1498		2.8017	3.1606	2.5849
H9	3.0501	2.3497	2.3358	1.0996	2.2921	4.1498	3.0275	2.8017		3.1606	2.5849
H10	2.6666	2.6666	2.2592	2.2592	1.1039	3.3181	3.3181	3.1606	3.1606		1.8700
H11	3.4698	3.4698	2.2284	2.2284	1.1055	4.3368	4.3368	2.5849	2.5849	1.8700

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.152	C1	C2	H7	133.797
C1	C3	C4	86.848	C1	C3	C5	109.079
C1	C3	H8	127.881	C2	C1	C3	93.152
C2	C1	H6	133.797	C2	C4	C3	86.848
C2	C4	C5	109.079	C2	C4	H9	127.881
C3	C1	H6	132.089	C3	C4	C5	59.868
C3	C4	H9	125.786	C3	C5	C4	60.264
C3	C5	H10	118.816	C3	C5	H11	116.027
C4	C2	H7	132.089	C4	C3	C5	59.868
C4	C3	H8	125.786	C4	C5	H10	118.816
C4	C5	H11	116.027	C5	C3	H8	122.122
C5	C4	H9	122.122	H10	C5	H11	115.643

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

using model chemistry: LSDA/cc-pVDZ

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	-0.021
2	C	-0.021
3	C	-0.071
4	C	-0.071
5	C	-0.042
6	H	0.015
7	H	0.015
8	H	0.035
9	H	0.035
10	H	0.061
11	H	0.063

	x	y	z	Total
	0.136	-0.455	0.000	0.475
CHELPG
AIM
ESP

	x	y	z
x	5.860	-0.411	0.000
y	-0.411	8.277	0.000
z	0.000	0.000	7.578

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/cc-pVDZ

States and conformations

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