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	hartrees
Energy at 0K	-32.324757
Energy at 298.15K	-32.333815
HF Energy	-31.923052
Nuclear repulsion energy	92.495342

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3239	3130	39.18
2	A'	3190	3082	24.93
3	A'	3148	3042	89.37
4	A'	3116	3011	29.39
5	A'	3059	2956	77.63
6	A'	1527	1476	1.55
7	A'	1511	1460	3.32
8	A'	1355	1309	1.59
9	A'	1266	1223	2.64
10	A'	1216	1175	1.83
11	A'	1126	1088	1.29
12	A'	1027	992	0.15
13	A'	965	932	5.11
14	A'	940	908	5.51
15	A'	908	877	2.68
16	A'	796	769	4.32
17	A'	744	719	14.99
18	A'	404	390	0.95
19	A"	3171	3064	28.15
20	A"	3127	3022	0.00
21	A"	3048	2946	66.00
22	A"	1506	1455	1.13
23	A"	1299	1255	7.40
24	A"	1277	1234	0.31
25	A"	1232	1190	0.18
26	A"	1136	1098	7.09
27	A"	1124	1086	2.85
28	A"	1067	1031	0.62
29	A"	978	945	4.93
30	A"	933	902	0.69
31	A"	776	750	21.87
32	A"	687	664	0.12
33	A"	225	218	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	-0.258	-0.557	0.796
C2	-0.258	-0.557	-0.796
C3	-0.258	1.021	0.806
C4	-0.258	1.021	-0.806
C5	0.984	-1.067	0.000
H6	-0.802	-1.209	1.495
H7	-0.802	-1.209	-1.495
H8	0.618	1.495	1.301
H9	0.618	1.495	-1.301
H10	-1.193	1.449	1.224
H11	-1.193	1.449	-1.224
H12	1.917	-0.477	0.000
H13	1.125	-2.159	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5916	1.5779	2.2488	1.5601	1.0998	2.4429	2.2875	3.0618	2.2538	2.9959	2.3172	2.2611
C2	1.5916		2.2488	1.5779	1.5601	2.4429	1.0998	3.0618	2.2875	2.9959	2.2538	2.3172	2.2611
C3	1.5779	2.2488		1.6130	2.5590	2.3962	3.2502	1.1119	2.3311	1.1096	2.2758	2.7613	3.5604
C4	2.2488	1.5779	1.6130		2.5590	3.2502	2.3962	2.3311	1.1119	2.2758	1.1096	2.7613	3.5604
C5	1.5601	1.5601	2.5590	2.5590		2.3330	2.3330	2.8962	2.8962	3.5440	3.5440	1.1039	1.1020
H6	1.0998	2.4429	2.3962	3.2502	2.3330		2.9895	3.0601	4.1405	2.6996	3.8217	3.1878	2.6173
H7	2.4429	1.0998	3.2502	2.3962	2.3330	2.9895		4.1405	3.0601	3.8217	2.6996	3.1878	2.6173
H8	2.2875	3.0618	1.1119	2.3311	2.8962	3.0601	4.1405		2.6024	1.8129	3.1074	2.6965	3.9121
H9	3.0618	2.2875	2.3311	1.1119	2.8962	4.1405	3.0601	2.6024		3.1074	1.8129	2.6965	3.9121
H10	2.2538	2.9959	1.1096	2.2758	3.5440	2.6996	3.8217	1.8129	3.1074		2.4476	3.8571	4.4594
H11	2.9959	2.2538	2.2758	1.1096	3.5440	3.8217	2.6996	3.1074	1.8129	2.4476		3.8571	4.4594
H12	2.3172	2.3172	2.7613	2.7613	1.1039	3.1878	3.1878	2.6965	2.6965	3.8571	3.8571		1.8593
H13	2.2611	2.2611	3.5604	3.5604	1.1020	2.6173	2.6173	3.9121	3.9121	4.4594	4.4594	1.8593

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	90.389	C1	C2	C5	59.330
C1	C2	H7	129.461	C1	C3	C4	89.611
C1	C3	H8	115.430	C1	C3	H10	112.829
C1	C5	C2	61.339	C1	C5	H12	119.903
C1	C5	H13	115.208	C2	C1	C3	90.389
C2	C1	C5	59.330	C2	C1	H6	129.461
C2	C4	C3	89.611	C2	C4	H9	115.430
C2	C4	H11	112.829	C2	C5	H12	119.903
C2	C5	H13	115.208	C3	C1	C5	109.272
C3	C1	H6	126.041	C3	C4	H9	116.420
C3	C4	H11	112.092	C4	C2	C5	109.272
C4	C2	H7	126.041	C4	C3	H8	116.420
C4	C3	H10	112.092	C5	C1	H6	121.622
C5	C2	H7	121.622	H8	C3	H10	109.383
H9	C4	H11	109.383	H12	C5	H13	114.896

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

using model chemistry: MP2/CEP-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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All results from a given calculation for C5H8 (Bicyclo[2.1.0]pentane)

using model chemistry: MP2/CEP-31G

States and conformations

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