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	hartrees
Energy at 0K	-194.736809
Energy at 298.15K
HF Energy	-193.963250
Nuclear repulsion energy	179.640025

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3165	3000	0.00
2	A₁'	3096	2935	0.00
3	A₁'	1590	1507	0.00
4	A₁'	1153	1093	0.00
5	A₁'	937	889	0.00
6	A₁"	1010	957	0.00
7	A₂'	3156	2992	0.00
8	A₂'	985	934	0.00
9	A₂"	3159	2995	115.86
10	A₂"	1283	1217	36.25
11	A₂"	859	814	6.22
12	E'	3162	2998	67.24
12	E'	3162	2998	67.24
13	E'	3090	2929	75.21
13	E'	3090	2929	75.21
14	E'	1539	1459	0.05
14	E'	1539	1459	0.05
15	E'	1274	1207	1.95
15	E'	1274	1207	1.95
16	E'	1137	1078	0.40
16	E'	1137	1078	0.40
17	E'	913	866	0.67
17	E'	913	866	0.67
18	E'	559	530	0.23
18	E'	559	530	0.23
19	E"	1236	1172	0.00
19	E"	1236	1172	0.00
20	E"	1160	1100	0.00
20	E"	1160	1100	0.00
21	E"	1029	975	0.00
21	E"	1029	975	0.00
22	E"	806	764	0.00
22	E"	806	764	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.940
C2	0.000	1.236	0.000
C3	1.071	-0.618	0.000
C4	-1.071	-0.618	0.000
C5	0.000	0.000	-0.940
H6	0.000	0.000	2.028
H7	0.000	0.000	-2.028
H8	0.904	1.848	0.000
H9	-0.904	1.848	0.000
H10	1.148	-1.707	0.000
H11	2.052	-0.141	0.000
H12	-2.052	-0.141	0.000
H13	-1.148	-1.707	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5530	1.5530	1.5530	1.8795	1.0881	2.9676	2.2615	2.2615	2.2615	2.2615	2.2615	2.2615
C2	1.5530		2.1415	2.1415	1.5530	2.3751	2.3751	1.0912	1.0912	3.1592	2.4717	2.4717	3.1592
C3	1.5530	2.1415		2.1415	1.5530	2.3751	2.3751	2.4717	3.1592	1.0912	1.0912	3.1592	2.4717
C4	1.5530	2.1415	2.1415		1.5530	2.3751	2.3751	3.1592	2.4717	2.4717	3.1592	1.0912	1.0912
C5	1.8795	1.5530	1.5530	1.5530		2.9676	1.0881	2.2615	2.2615	2.2615	2.2615	2.2615	2.2615
H6	1.0881	2.3751	2.3751	2.3751	2.9676		4.0557	2.8885	2.8885	2.8885	2.8885	2.8885	2.8885
H7	2.9676	2.3751	2.3751	2.3751	1.0881	4.0557		2.8885	2.8885	2.8885	2.8885	2.8885	2.8885
H8	2.2615	1.0912	2.4717	3.1592	2.2615	2.8885	2.8885		1.8075	3.5629	2.2969	3.5629	4.1044
H9	2.2615	1.0912	3.1592	2.4717	2.2615	2.8885	2.8885	1.8075		4.1044	3.5629	2.2969	3.5629
H10	2.2615	3.1592	1.0912	2.4717	2.2615	2.8885	2.8885	3.5629	4.1044		1.8075	3.5629	2.2969
H11	2.2615	2.4717	1.0912	3.1592	2.2615	2.8885	2.8885	2.2969	3.5629	1.8075		4.1044	3.5629
H12	2.2615	2.4717	3.1592	1.0912	2.2615	2.8885	2.8885	3.5629	2.2969	3.5629	4.1044		1.8075
H13	2.2615	3.1592	2.4717	1.0912	2.2615	2.8885	2.8885	4.1044	3.5629	2.2969	3.5629	1.8075

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	74.473	C1	C2	H8	116.496
C1	C2	H9	116.496	C1	C3	C5	74.473
C1	C3	H10	116.496	C1	C3	H11	116.496
C1	C4	C5	74.473	C1	C4	H12	116.496
C1	C4	H13	116.496	C2	C1	C3	87.178
C2	C1	C4	87.178	C2	C1	H6	127.237
C2	C5	C3	87.178	C2	C5	C4	87.178
C2	C5	H7	127.237	C3	C1	C4	87.178
C3	C1	H6	127.237	C3	C5	C4	87.178
C3	C5	H7	127.237	C4	C1	H6	127.237
C4	C5	H7	127.237	C5	C2	H8	116.496
C5	C2	H9	116.496	C5	C3	H10	116.496
C5	C3	H11	116.496	C5	C4	H12	116.496
C5	C4	H13	116.496	H8	C2	H9	111.836
H10	C3	H11	111.836	H12	C4	H13	111.836

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

using model chemistry: CCD/TZVP

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: CCD/TZVP

States and conformations

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