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	hartrees
Energy at 0K	-193.263679
Energy at 298.15K	-193.273005
Nuclear repulsion energy	174.454761

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3321	3094	15.74
2	A'	3296	3070	3.82
3	A'	3221	3000	38.95
4	A'	3212	2992	11.20
5	A'	3161	2945	35.55
6	A'	1607	1497	1.81
7	A'	1580	1472	3.72
8	A'	1405	1308	0.16
9	A'	1302	1213	3.43
10	A'	1259	1173	0.56
11	A'	1164	1085	2.02
12	A'	1079	1005	0.43
13	A'	1011	942	7.47
14	A'	991	923	1.84
15	A'	910	848	1.73
16	A'	809	754	2.00
17	A'	786	732	8.08
18	A'	446	415	0.85
19	A"	3303	3077	11.55
20	A"	3201	2982	0.02
21	A"	3150	2935	34.65
22	A"	1586	1477	0.69
23	A"	1355	1262	9.36
24	A"	1344	1252	0.77
25	A"	1290	1202	0.30
26	A"	1201	1119	3.25
27	A"	1174	1094	3.11
28	A"	1146	1067	2.01
29	A"	1020	950	3.61
30	A"	971	904	0.79
31	A"	801	746	15.73
32	A"	733	683	0.30
33	A"	273	254	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	-0.253	-0.554	0.777
C2	-0.253	-0.554	-0.777
C3	-0.253	0.999	0.796
C4	-0.253	0.999	-0.796
C5	0.965	-1.031	0.000
H6	-0.788	-1.188	1.463
H7	-0.788	-1.188	-1.463
H8	0.607	1.458	1.282
H9	0.607	1.458	-1.282
H10	-1.175	1.420	1.196
H11	-1.175	1.420	-1.196
H12	1.867	-0.431	0.000
H13	1.131	-2.100	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5533	1.5530	2.2103	1.5217	1.0764	2.3882	2.2463	3.0047	2.2182	2.9385	2.2616	2.2158
C2	1.5533		2.2103	1.5530	1.5217	2.3882	1.0764	3.0047	2.2463	2.9385	2.2182	2.2616	2.2158
C3	1.5530	2.2103		1.5925	2.4974	2.3478	3.1893	1.0900	2.2958	1.0891	2.2348	2.6786	3.4860
C4	2.2103	1.5530	1.5925		2.4974	3.1893	2.3478	2.2958	1.0900	2.2348	1.0891	2.6786	3.4860
C5	1.5217	1.5217	2.4974	2.4974		2.2889	2.2889	2.8222	2.8222	3.4661	3.4661	1.0826	1.0821
H6	1.0764	2.3882	2.3478	3.1893	2.2889		2.9259	2.9971	4.0600	2.6497	3.7440	3.1244	2.5797
H7	2.3882	1.0764	3.1893	2.3478	2.2889	2.9259		4.0600	2.9971	3.7440	2.6497	3.1244	2.5797
H8	2.2463	3.0047	1.0900	2.2958	2.8222	2.9971	4.0600		2.5638	1.7850	3.0524	2.6076	3.8180
H9	3.0047	2.2463	2.2958	1.0900	2.8222	4.0600	2.9971	2.5638		3.0524	1.7850	2.6076	3.8180
H10	2.2182	2.9385	1.0891	2.2348	3.4661	2.6497	3.7440	1.7850	3.0524		2.3913	3.7562	4.3743
H11	2.9385	2.2182	2.2348	1.0891	3.4661	3.7440	2.6497	3.0524	1.7850	2.3913		3.7562	4.3743
H12	2.2616	2.2616	2.6786	2.6786	1.0826	3.1244	3.1244	2.6076	2.6076	3.7562	3.7562		1.8236
H13	2.2158	2.2158	3.4860	3.4860	1.0821	2.5797	2.5797	3.8180	3.8180	4.3743	4.3743	1.8236

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	90.722	C1	C2	C5	59.310
C1	C2	H7	129.612	C1	C3	C4	89.278
C1	C3	H8	115.286	C1	C3	H10	113.016
C1	C5	C2	61.379	C1	C5	H12	119.588
C1	C5	H13	115.606	C2	C1	C3	90.722
C2	C1	C5	59.310	C2	C1	H6	129.612
C2	C4	C3	89.278	C2	C4	H9	115.286
C2	C4	H11	113.016	C2	C5	H12	119.588
C2	C5	H13	115.606	C3	C1	C5	108.630
C3	C1	H6	125.513	C3	C4	H9	116.459
C3	C4	H11	111.513	C4	C2	C5	108.630
C4	C2	H7	125.513	C4	C3	H8	116.459
C4	C3	H10	111.513	C5	C1	H6	122.600
C5	C2	H7	122.600	H8	C3	H10	110.006
H9	C4	H11	110.006	H12	C5	H13	114.789

All results from a given calculation for C₅H₈ (Bicyclo[2.1.0]pentane)

using model chemistry: CID/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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All results from a given calculation for C5H8 (Bicyclo[2.1.0]pentane)

using model chemistry: CID/3-21G

States and conformations

All results from a given calculation for C₅H₈ (Bicyclo[2.1.0]pentane)