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	hartrees
Energy at 0K	-192.694688
Energy at 298.15K	-192.700835
Nuclear repulsion energy	157.977076

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3203	3174	2.81
2	A	3181	3152	28.64
3	A	3167	3138	3.78
4	A	3060	3032	23.69
5	A	1529	1515	3.75
6	A	1455	1442	3.01
7	A	1223	1212	2.59
8	A	1152	1142	3.27
9	A	1081	1071	3.01
10	A	998	989	1.01
11	A	934	925	5.85
12	A	852	844	8.00
13	A	787	780	0.60
14	A	725	718	74.39
15	A	425	421	7.53
16	A	3185	3156	7.32
17	A	3147	3118	6.32
18	A	1264	1253	27.05
19	A	1194	1183	0.41
20	A	1078	1068	9.26
21	A	1020	1010	0.75
22	A	1013	1004	9.11
23	A	911	902	7.48
24	A	843	835	2.97
25	A	832	824	0.07
26	A	759	753	26.70
27	A	444	440	1.80

Atom	x (Å)	y (Å)	z (Å)
C1	-0.278	1.062	0.681
C2	-0.278	1.062	-0.681
C3	-0.278	-0.480	0.778
C4	-0.278	-0.480	-0.778
C5	0.957	-0.994	0.000
H6	-0.142	1.835	1.436
H7	-0.142	1.835	-1.436
H8	-0.874	-1.109	1.435
H9	-0.874	-1.109	-1.435
H10	1.863	-0.382	0.000
H11	1.105	-2.081	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3621	1.5453	2.1233	2.4934	1.0894	2.2582	2.3744	3.0899	2.6706	3.5009
C2	1.3621		2.1233	1.5453	2.4934	2.2582	1.0894	3.0899	2.3744	2.6706	3.5009
C3	1.5453	2.1233		1.5567	1.5481	2.4108	3.2069	1.0870	2.3770	2.2804	2.2544
C4	2.1233	1.5453	1.5567		1.5481	3.2069	2.4108	2.3770	1.0870	2.2804	2.2544
C5	2.4934	2.4934	1.5481	1.5481		3.3574	3.3574	2.3293	2.3293	1.0930	1.0974
H6	1.0894	2.2582	2.4108	3.2069	3.3574		2.8727	3.0339	4.1774	3.3156	4.3535
H7	2.2582	1.0894	3.2069	2.4108	3.3574	2.8727		4.1774	3.0339	3.3156	4.3535
H8	2.3744	3.0899	1.0870	2.3770	2.3293	3.0339	4.1774		2.8706	3.1745	2.6304
H9	3.0899	2.3744	2.3770	1.0870	2.3293	4.1774	3.0339	2.8706		3.1745	2.6304
H10	2.6706	2.6706	2.2804	2.2804	1.0930	3.3156	3.3156	3.1745	3.1745		1.8610
H11	3.5009	3.5009	2.2544	2.2544	1.0974	4.3535	4.3535	2.6304	2.6304	1.8610

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.611	C1	C2	H7	133.897
C1	C3	C4	86.389	C1	C3	C5	107.420
C1	C3	H8	127.999	C2	C1	C3	93.611
C2	C1	H6	133.897	C2	C4	C3	86.389
C2	C4	C5	107.420	C2	C4	H9	127.999
C3	C1	H6	131.642	C3	C4	C5	59.816
C3	C4	H9	127.184	C3	C5	C4	60.368
C3	C5	H10	118.386	C3	C5	H11	115.851
C4	C2	H7	131.642	C4	C3	C5	59.816
C4	C3	H8	127.184	C4	C5	H10	118.386
C4	C5	H11	115.851	C5	C3	H8	123.296
C5	C4	H9	123.296	H10	C5	H11	116.341

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

using model chemistry: PBEPBE/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	-0.127
2	C	-0.127
3	C	-0.295
4	C	-0.295
5	C	-0.338
6	H	0.178
7	H	0.178
8	H	0.196
9	H	0.196
10	H	0.222
11	H	0.213

	x	y	z
x	4.918	-0.484	0.000
y	-0.484	7.318	0.000
z	0.000	0.000	6.853

<r²>	89.135
(<r²>)^1/2	9.441

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

using model chemistry: PBEPBE/3-21G

States and conformations

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