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	hartrees
Energy at 0K
Energy at 298.15K	0.108782
HF Energy	0.108782
Nuclear repulsion energy	107.225576

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3174	3091	0.00
2	A₁'	3126	3045	0.00
3	A₁'	1479	1440	0.00
4	A₁'	1274	1241	0.00
5	A₁'	916	892	0.00
6	A₁"	896	872	0.00
7	A₂'	3067	2987	0.00
8	A₂'	979	953	0.00
9	A₂"	3168	3086	16.92
10	A₂"	1228	1196	3.66
11	A₂"	910	886	0.22
12	E'	3127	3045	2.02
12	E'	3127	3045	2.02
13	E'	3075	2995	0.42
13	E'	3075	2995	0.42
14	E'	1442	1404	0.27
14	E'	1442	1404	0.27
15	E'	1219	1187	0.07
15	E'	1219	1187	0.07
16	E'	1043	1016	0.02
16	E'	1043	1016	0.02
17	E'	949	924	0.24
17	E'	949	924	0.24
18	E'	593	578	0.44
18	E'	593	578	0.44
19	E"	1189	1158	0.00
19	E"	1189	1158	0.00
20	E"	1069	1041	0.00
20	E"	1069	1041	0.00
21	E"	964	939	0.00
21	E"	964	939	0.00
22	E"	736	717	0.00
22	E"	736	717	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.952
C2	0.000	1.251	0.000
C3	1.083	-0.625	0.000
C4	-1.083	-0.625	0.000
C5	0.000	0.000	-0.952
H6	0.000	0.000	2.038
H7	0.000	0.000	-2.038
H8	0.890	1.893	0.000
H9	-0.890	1.893	0.000
H10	1.195	-1.717	0.000
H11	2.084	-0.176	0.000
H12	-2.084	-0.176	0.000
H13	-1.195	-1.717	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5718	1.5718	1.5718	1.9033	1.0861	2.9894	2.2981	2.2981	2.2981	2.2981	2.2981	2.2981
C2	1.5718		2.1668	2.1668	1.5718	2.3911	2.3911	1.0973	1.0973	3.1995	2.5260	2.5260	3.1995
C3	1.5718	2.1668		2.1668	1.5718	2.3911	2.3911	2.5260	3.1995	1.0973	1.0973	3.1995	2.5260
C4	1.5718	2.1668	2.1668		1.5718	2.3911	2.3911	3.1995	2.5260	2.5260	3.1995	1.0973	1.0973
C5	1.9033	1.5718	1.5718	1.5718		2.9894	1.0861	2.2981	2.2981	2.2981	2.2981	2.2981	2.2981
H6	1.0861	2.3911	2.3911	2.3911	2.9894		4.0755	2.9203	2.9203	2.9203	2.9203	2.9203	2.9203
H7	2.9894	2.3911	2.3911	2.3911	1.0861	4.0755		2.9203	2.9203	2.9203	2.9203	2.9203	2.9203
H8	2.2981	1.0973	2.5260	3.1995	2.2981	2.9203	2.9203		1.7797	3.6231	2.3890	3.6231	4.1688
H9	2.2981	1.0973	3.1995	2.5260	2.2981	2.9203	2.9203	1.7797		4.1688	3.6231	2.3890	3.6231
H10	2.2981	3.1995	1.0973	2.5260	2.2981	2.9203	2.9203	3.6231	4.1688		1.7797	3.6231	2.3891
H11	2.2981	2.5260	1.0973	3.1995	2.2981	2.9203	2.9203	2.3890	3.6231	1.7797		4.1688	3.6231
H12	2.2981	2.5260	3.1995	1.0973	2.2981	2.9203	2.9203	3.6231	2.3890	3.6231	4.1688		1.7797
H13	2.2981	3.1995	2.5260	1.0973	2.2981	2.9203	2.9203	4.1688	3.6231	2.3891	3.6231	1.7797

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	74.522	C1	C2	H8	117.756
C1	C2	H9	117.756	C1	C3	C5	74.522
C1	C3	H10	117.756	C1	C3	H11	117.756
C1	C4	C5	74.522	C1	C4	H12	117.756
C1	C4	H13	117.756	C2	C1	C3	87.143
C2	C1	C4	87.143	C2	C1	H6	127.261
C2	C5	C3	87.143	C2	C5	C4	87.143
C2	C5	H7	127.261	C3	C1	C4	87.143
C3	C1	H6	127.261	C3	C5	C4	87.143
C3	C5	H7	127.261	C4	C1	H6	127.261
C4	C5	H7	127.261	C5	C2	H8	117.756
C5	C2	H9	117.756	C5	C3	H10	117.756
C5	C3	H11	117.756	C5	C4	H12	117.756
C5	C4	H13	117.756	H8	C2	H9	108.374
H10	C3	H11	108.374	H12	C4	H13	108.374

All results from a given calculation for C₅H₈ (Bicyclo[1.1.1]pentane)

using model chemistry: PM3

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[1.1.1]pentane)

using model chemistry: PM3

States and conformations

All results from a given calculation for C₅H₈ (Bicyclo[1.1.1]pentane)