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	hartrees
Energy at 0K	-192.889170
Energy at 298.15K	-192.895497
HF Energy	-192.889170
Nuclear repulsion energy	159.139759

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3307	3134	1.43
2	A'	3290	3118	17.01
3	A'	3267	3096	3.63
4	A'	3167	3002	16.03
5	A'	1617	1533	4.07
6	A'	1517	1438	4.25
7	A'	1287	1220	2.61
8	A'	1197	1135	3.77
9	A'	1123	1065	3.43
10	A'	1033	980	1.15
11	A'	968	917	4.96
12	A'	915	867	7.75
13	A'	811	769	2.84
14	A'	769	728	82.58
15	A'	451	428	8.49
16	A"	3288	3116	4.34
17	A"	3257	3087	2.75
18	A"	1325	1256	29.00
19	A"	1253	1188	0.63
20	A"	1140	1080	7.36
21	A"	1076	1020	11.29
22	A"	1067	1012	2.93
23	A"	972	921	9.17
24	A"	889	843	0.38
25	A"	862	817	0.51
26	A"	783	742	30.43
27	A"	463	439	2.11

Atom	x (Å)	y (Å)	z (Å)
C1	-0.273	1.059	0.675
C2	-0.273	1.059	-0.675
C3	-0.273	-0.473	0.768
C4	-0.273	-0.473	-0.768
C5	0.943	-0.999	0.000
H6	-0.144	1.827	1.421
H7	-0.144	1.827	-1.421
H8	-0.877	-1.095	1.409
H9	-0.877	-1.095	-1.409
H10	1.859	-0.420	0.000
H11	1.074	-2.079	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3494	1.5356	2.1050	2.4840	1.0790	2.2361	2.3544	3.0570	2.6812	3.4806
C2	1.3494		2.1050	1.5356	2.4840	2.2361	1.0790	3.0570	2.3544	2.6812	3.4806
C3	1.5356	2.1050		1.5361	1.5308	2.3954	3.1787	1.0777	2.3429	2.2664	2.2315
C4	2.1050	1.5356	1.5361		1.5308	3.1787	2.3954	2.3429	1.0777	2.2664	2.2315
C5	2.4840	2.4840	1.5308	1.5308		3.3452	3.3452	2.3032	2.3032	1.0840	1.0871
H6	1.0790	2.2361	2.3954	3.1787	3.3452		2.8427	3.0127	4.1335	3.3291	4.3312
H7	2.2361	1.0790	3.1787	2.3954	3.3452	2.8427		4.1335	3.0127	3.3291	4.3312
H8	2.3544	3.0570	1.0777	2.3429	2.3032	3.0127	4.1335		2.8175	3.1503	2.5998
H9	3.0570	2.3544	2.3429	1.0777	2.3032	4.1335	3.0127	2.8175		3.1503	2.5998
H10	2.6812	2.6812	2.2664	2.2664	1.0840	3.3291	3.3291	3.1503	3.1503		1.8346
H11	3.4806	3.4806	2.2315	2.2315	1.0871	4.3312	4.3312	2.5998	2.5998	1.8346

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.485	C1	C2	H7	133.787
C1	C3	C4	86.515	C1	C3	C5	108.204
C1	C3	H8	127.689	C2	C1	C3	93.485
C2	C1	H6	133.787	C2	C4	C3	86.515
C2	C4	C5	108.204	C2	C4	H9	127.689
C3	C1	H6	131.954	C3	C4	C5	59.885
C3	C4	H9	126.476	C3	C5	C4	60.230
C3	C5	H10	119.187	C3	C5	H11	115.908
C4	C2	H7	131.954	C4	C3	C5	59.885
C4	C3	H8	126.476	C4	C5	H10	119.187
C4	C5	H11	115.908	C5	C3	H8	123.057
C5	C4	H9	123.057	H10	C5	H11	115.345

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

using model chemistry: wB97X-D/3-21G*

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	-0.153
2	C	-0.153
3	C	-0.318
4	C	-0.318
5	C	-0.352
6	H	0.204
7	H	0.204
8	H	0.214
9	H	0.214
10	H	0.232
11	H	0.225

	x	y	z	Total
	0.203	-0.364	0.000	0.417
CHELPG
AIM
ESP

	x	y	z
x	4.759	-0.461	0.000
y	-0.461	6.907	0.000
z	0.000	0.000	6.737

<r²>	88.086
(<r²>)^1/2	9.385

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

using model chemistry: wB97X-D/3-21G*

States and conformations

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