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	hartrees
Energy at 0K	-194.732214
Energy at 298.15K
HF Energy	-193.928970
Nuclear repulsion energy	179.852286

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3175	2999	0.00
2	A₁'	3113	2941	0.00
3	A₁'	1570	1482	0.00
4	A₁'	1148	1084	0.00
5	A₁'	915	864	0.00
6	A₁"	1015	958	0.00
7	A₂'	3188	3011	0.00
8	A₂'	968	915	0.00
9	A₂"	3170	2994	86.47
10	A₂"	1268	1198	30.90
11	A₂"	878	829	4.11
12	E'	3192	3015	41.21
12	E'	3192	3015	41.21
13	E'	3111	2938	54.08
13	E'	3111	2938	54.08
14	E'	1515	1431	0.19
14	E'	1515	1431	0.19
15	E'	1282	1211	1.77
15	E'	1282	1211	1.77
16	E'	1128	1065	0.29
16	E'	1128	1065	0.29
17	E'	937	885	0.25
17	E'	937	885	0.25
18	E'	545	515	0.26
18	E'	545	515	0.26
19	E"	1224	1156	0.00
19	E"	1224	1156	0.00
20	E"	1162	1097	0.00
20	E"	1162	1097	0.00
21	E"	1040	983	0.00
21	E"	1040	983	0.00
22	E"	824	778	0.00
22	E"	824	778	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.938
C2	0.000	1.234	0.000
C3	1.069	-0.617	0.000
C4	-1.069	-0.617	0.000
C5	0.000	0.000	-0.938
H6	0.000	0.000	2.027
H7	0.000	0.000	-2.027
H8	0.905	1.846	0.000
H9	-0.905	1.846	0.000
H10	1.146	-1.706	0.000
H11	2.051	-0.140	0.000
H12	-2.051	-0.140	0.000
H13	-1.146	-1.706	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5504	1.5504	1.5504	1.8760	1.0889	2.9649	2.2595	2.2595	2.2595	2.2595	2.2595	2.2595
C2	1.5504		2.1382	2.1382	1.5504	2.3732	2.3732	1.0918	1.0918	3.1563	2.4686	2.4686	3.1563
C3	1.5504	2.1382		2.1382	1.5504	2.3732	2.3732	2.4686	3.1563	1.0918	1.0918	3.1563	2.4686
C4	1.5504	2.1382	2.1382		1.5504	2.3732	2.3732	3.1563	2.4686	2.4686	3.1563	1.0918	1.0918
C5	1.8760	1.5504	1.5504	1.5504		2.9649	1.0889	2.2595	2.2595	2.2595	2.2595	2.2595	2.2595
H6	1.0889	2.3732	2.3732	2.3732	2.9649		4.0537	2.8868	2.8868	2.8868	2.8868	2.8868	2.8868
H7	2.9649	2.3732	2.3732	2.3732	1.0889	4.0537		2.8868	2.8868	2.8868	2.8868	2.8868	2.8868
H8	2.2595	1.0918	2.4686	3.1563	2.2595	2.8868	2.8868		1.8091	3.5604	2.2926	3.5604	4.1017
H9	2.2595	1.0918	3.1563	2.4686	2.2595	2.8868	2.8868	1.8091		4.1017	3.5604	2.2926	3.5604
H10	2.2595	3.1563	1.0918	2.4686	2.2595	2.8868	2.8868	3.5604	4.1017		1.8091	3.5604	2.2926
H11	2.2595	2.4686	1.0918	3.1563	2.2595	2.8868	2.8868	2.2926	3.5604	1.8091		4.1017	3.5604
H12	2.2595	2.4686	3.1563	1.0918	2.2595	2.8868	2.8868	3.5604	2.2926	3.5604	4.1017		1.8091
H13	2.2595	3.1563	2.4686	1.0918	2.2595	2.8868	2.8868	4.1017	3.5604	2.2926	3.5604	1.8091

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	74.458	C1	C2	H8	116.481
C1	C2	H9	116.481	C1	C3	C5	74.458
C1	C3	H10	116.481	C1	C3	H11	116.481
C1	C4	C5	74.458	C1	C4	H12	116.481
C1	C4	H13	116.481	C2	C1	C3	87.189
C2	C1	C4	87.189	C2	C1	H6	127.229
C2	C5	C3	87.189	C2	C5	C4	87.189
C2	C5	H7	127.229	C3	C1	C4	87.189
C3	C1	H6	127.229	C3	C5	C4	87.189
C3	C5	H7	127.229	C4	C1	H6	127.229
C4	C5	H7	127.229	C5	C2	H8	116.481
C5	C2	H9	116.481	C5	C3	H10	116.481
C5	C3	H11	116.481	C5	C4	H12	116.481
C5	C4	H13	116.481	H8	C2	H9	111.886
H10	C3	H11	111.886	H12	C4	H13	111.886

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

using model chemistry: MP2/6-31G(2df,p)

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(2df,p)

States and conformations

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