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	hartrees
Energy at 0K	-193.277423
Energy at 298.15K
HF Energy	-192.824039
Nuclear repulsion energy	176.290682

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3197	3042	0.00
2	A₁'	3107	2956	0.00
3	A₁'	1607	1529	0.00
4	A₁'	1121	1066	0.00
5	A₁'	946	900	0.00
6	A₁"	1034	984	0.00
7	A₂'	3178	3024	0.00
8	A₂'	974	927	0.00
9	A₂"	3183	3028	74.68
10	A₂"	1272	1210	36.64
11	A₂"	802	763	4.82
12	E'	3185	3030	42.53
12	E'	3185	3030	42.53
13	E'	3103	2952	47.51
13	E'	3103	2952	47.51
14	E'	1565	1489	0.38
14	E'	1565	1489	0.38
15	E'	1270	1208	2.09
15	E'	1270	1208	2.09
16	E'	1129	1074	0.10
16	E'	1129	1074	0.10
17	E'	878	836	0.73
17	E'	878	836	0.73
18	E'	554	527	0.13
18	E'	554	527	0.13
19	E"	1274	1212	0.00
19	E"	1274	1212	0.00
20	E"	1172	1115	0.00
20	E"	1172	1115	0.00
21	E"	1084	1032	0.00
21	E"	1084	1032	0.00
22	E"	752	716	0.00
22	E"	752	716	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.968
C2	0.000	1.264	0.000
C3	1.095	-0.632	0.000
C4	-1.095	-0.632	0.000
C5	0.000	0.000	-0.968
H6	0.000	0.000	2.055
H7	0.000	0.000	-2.055
H8	0.911	1.868	0.000
H9	-0.911	1.868	0.000
H10	1.162	-1.723	0.000
H11	2.073	-0.144	0.000
H12	-2.073	-0.144	0.000
H13	-1.162	-1.723	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5920	1.5920	1.5920	1.9359	1.0872	3.0231	2.2925	2.2925	2.2925	2.2925	2.2925	2.2925
C2	1.5920		2.1893	2.1893	1.5920	2.4128	2.4128	1.0932	1.0932	3.2050	2.5062	2.5062	3.2050
C3	1.5920	2.1893		2.1893	1.5920	2.4128	2.4128	2.5062	3.2050	1.0932	1.0932	3.2050	2.5062
C4	1.5920	2.1893	2.1893		1.5920	2.4128	2.4128	3.2050	2.5062	2.5062	3.2050	1.0932	1.0932
C5	1.9359	1.5920	1.5920	1.5920		3.0231	1.0872	2.2925	2.2925	2.2925	2.2925	2.2925	2.2925
H6	1.0872	2.4128	2.4128	2.4128	3.0231		4.1104	2.9227	2.9227	2.9227	2.9227	2.9227	2.9227
H7	3.0231	2.4128	2.4128	2.4128	1.0872	4.1104		2.9227	2.9227	2.9227	2.9227	2.9227	2.9227
H8	2.2925	1.0932	2.5062	3.2050	2.2925	2.9227	2.9227		1.8230	3.5994	2.3232	3.5994	4.1461
H9	2.2925	1.0932	3.2050	2.5062	2.2925	2.9227	2.9227	1.8230		4.1461	3.5994	2.3232	3.5994
H10	2.2925	3.2050	1.0932	2.5062	2.2925	2.9227	2.9227	3.5994	4.1461		1.8230	3.5994	2.3232
H11	2.2925	2.5062	1.0932	3.2050	2.2925	2.9227	2.9227	2.3232	3.5994	1.8230		4.1462	3.5994
H12	2.2925	2.5062	3.2050	1.0932	2.2925	2.9227	2.9227	3.5994	2.3232	3.5994	4.1462		1.8230
H13	2.2925	3.2050	2.5062	1.0932	2.2925	2.9227	2.9227	4.1461	3.5994	2.3232	3.5994	1.8230

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	74.889	C1	C2	H8	115.998
C1	C2	H9	115.998	C1	C3	C5	74.889
C1	C3	H10	115.998	C1	C3	H11	115.998
C1	C4	C5	74.889	C1	C4	H12	115.998
C1	C4	H13	115.998	C2	C1	C3	86.877
C2	C1	C4	86.877	C2	C1	H6	127.445
C2	C5	C3	86.877	C2	C5	C4	86.877
C2	C5	H7	127.445	C3	C1	C4	86.877
C3	C1	H6	127.445	C3	C5	C4	86.877
C3	C5	H7	127.445	C4	C1	H6	127.445
C4	C5	H7	127.445	C5	C2	H8	115.998
C5	C2	H9	115.998	C5	C3	H10	115.998
C5	C3	H11	115.998	C5	C4	H12	115.998
C5	C4	H13	115.998	H8	C2	H9	112.978
H10	C3	H11	112.978	H12	C4	H13	112.978

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

using model chemistry: MP2/3-21G*

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[1.1.1]pentane)

using model chemistry: MP2/3-21G*

States and conformations

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