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	hartrees
Energy at 0K	-194.557591
Energy at 298.15K
HF Energy	-193.904948
Nuclear repulsion energy	179.785845

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3163	2983	0.00
2	A₁'	3110	2933	0.00
3	A₁'	1605	1514	0.00
4	A₁'	1163	1096	0.00
5	A₁'	928	875	0.00
6	A₁"	1021	962	0.00
7	A₂'	3178	2996	0.00
8	A₂'	998	942	0.00
9	A₂"	3159	2979	107.02
10	A₂"	1291	1217	36.05
11	A₂"	880	830	4.60
12	E'	3182	3001	54.77
12	E'	3182	3001	54.77
13	E'	3107	2930	60.56
13	E'	3107	2930	60.56
14	E'	1554	1465	0.12
14	E'	1554	1465	0.12
15	E'	1293	1220	2.20
15	E'	1293	1220	2.20
16	E'	1146	1081	0.23
16	E'	1146	1081	0.23
17	E'	938	884	0.45
17	E'	938	884	0.45
18	E'	562	530	0.25
18	E'	562	530	0.25
19	E"	1243	1172	0.00
19	E"	1243	1172	0.00
20	E"	1175	1108	0.00
20	E"	1175	1108	0.00
21	E"	1050	991	0.00
21	E"	1050	991	0.00
22	E"	828	780	0.00
22	E"	828	780	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.937
C2	0.000	1.234	0.000
C3	1.068	-0.617	0.000
C4	-1.068	-0.617	0.000
C5	0.000	0.000	-0.937
H6	0.000	0.000	2.031
H7	0.000	0.000	-2.031
H8	0.905	1.850	0.000
H9	-0.905	1.850	0.000
H10	1.150	-1.709	0.000
H11	2.055	-0.141	0.000
H12	-2.055	-0.141	0.000
H13	-1.150	-1.709	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5492	1.5492	1.5492	1.8738	1.0942	2.9680	2.2630	2.2630	2.2630	2.2630	2.2630	2.2630
C2	1.5492		2.1369	2.1369	1.5492	2.3764	2.3764	1.0953	1.0953	3.1596	2.4726	2.4726	3.1596
C3	1.5492	2.1369		2.1369	1.5492	2.3764	2.3764	2.4726	3.1596	1.0953	1.0953	3.1596	2.4726
C4	1.5492	2.1369	2.1369		1.5492	2.3764	2.3764	3.1596	2.4726	2.4726	3.1596	1.0953	1.0953
C5	1.8738	1.5492	1.5492	1.5492		2.9680	1.0942	2.2630	2.2630	2.2630	2.2630	2.2630	2.2630
H6	1.0942	2.3764	2.3764	2.3764	2.9680		4.0621	2.8928	2.8928	2.8928	2.8928	2.8928	2.8928
H7	2.9680	2.3764	2.3764	2.3764	1.0942	4.0621		2.8928	2.8928	2.8928	2.8928	2.8928	2.8928
H8	2.2630	1.0953	2.4726	3.1596	2.2630	2.8928	2.8928		1.8106	3.5679	2.2996	3.5679	4.1102
H9	2.2630	1.0953	3.1596	2.4726	2.2630	2.8928	2.8928	1.8106		4.1102	3.5679	2.2996	3.5679
H10	2.2630	3.1596	1.0953	2.4726	2.2630	2.8928	2.8928	3.5679	4.1102		1.8106	3.5679	2.2996
H11	2.2630	2.4726	1.0953	3.1596	2.2630	2.8928	2.8928	2.2996	3.5679	1.8106		4.1102	3.5679
H12	2.2630	2.4726	3.1596	1.0953	2.2630	2.8928	2.8928	3.5679	2.2996	3.5679	4.1102		1.8106
H13	2.2630	3.1596	2.4726	1.0953	2.2630	2.8928	2.8928	4.1102	3.5679	2.2996	3.5679	1.8106

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	74.426	C1	C2	H8	116.636
C1	C2	H9	116.636	C1	C3	C5	74.426
C1	C3	H10	116.636	C1	C3	H11	116.636
C1	C4	C5	74.426	C1	C4	H12	116.636
C1	C4	H13	116.636	C2	C1	C3	87.212
C2	C1	C4	87.212	C2	C1	H6	127.213
C2	C5	C3	87.212	C2	C5	C4	87.212
C2	C5	H7	127.213	C3	C1	C4	87.212
C3	C1	H6	127.213	C3	C5	C4	87.212
C3	C5	H7	127.213	C4	C1	H6	127.213
C4	C5	H7	127.213	C5	C2	H8	116.636
C5	C2	H9	116.636	C5	C3	H10	116.636
C5	C3	H11	116.636	C5	C4	H12	116.636
C5	C4	H13	116.636	H8	C2	H9	111.481
H10	C3	H11	111.481	H12	C4	H13	111.481

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

using model chemistry: MP2/6-31G*

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[1.1.1]pentane)

using model chemistry: MP2/6-31G*

States and conformations

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