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	hartrees
Energy at 0K	-194.628889
Energy at 298.15K
HF Energy	-193.904047
Nuclear repulsion energy	178.918094

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	3117	2999
2	A₁'	3063	2947
3	A₁'	1586	1525
4	A₁'	1144	1100
5	A₁'	928	892
6	A₁"	1007	969
7	A₂'	3118	3000
8	A₂'	982	945
9	A₂"	3112	2994
10	A₂"	1279	1230
11	A₂"	860	828
12	E'	3124	3006
12	E'	3124	3006
13	E'	3058	2942
13	E'	3058	2942
14	E'	1537	1479
14	E'	1537	1478
15	E'	1279	1230
15	E'	1279	1230
16	E'	1134	1091
16	E'	1133	1091
17	E'	916	881
17	E'	916	881
18	E'	555	534
18	E'	555	534
19	E"	1228	1182
19	E"	1228	1181
20	E"	1166	1122
20	E"	1166	1122
21	E"	1040	1000
21	E"	1039	1000
22	E"	806	775
22	E"	805	775

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.942
C2	0.000	1.240	0.000
C3	1.074	-0.620	0.000
C4	-1.074	-0.620	0.000
C5	0.000	0.000	-0.942
H6	0.000	0.000	2.040
H7	0.000	0.000	-2.040
H8	0.908	1.859	0.000
H9	-0.908	1.859	0.000
H10	1.156	-1.716	0.000
H11	2.064	-0.143	0.000
H12	-2.064	-0.143	0.000
H13	-1.156	-1.716	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5574	1.5574	1.5574	1.8847	1.0973	2.9820	2.2736	2.2736	2.2736	2.2736	2.2736	2.2736
C2	1.5574		2.1477	2.1477	1.5574	2.3870	2.3870	1.0990	1.0990	3.1740	2.4848	2.4848	3.1740
C3	1.5574	2.1477		2.1477	1.5574	2.3870	2.3870	2.4848	3.1740	1.0990	1.0990	3.1740	2.4848
C4	1.5574	2.1477	2.1477		1.5574	2.3870	2.3870	3.1740	2.4848	2.4848	3.1740	1.0990	1.0990
C5	1.8847	1.5574	1.5574	1.5574		2.9820	1.0973	2.2736	2.2736	2.2736	2.2736	2.2736	2.2736
H6	1.0973	2.3870	2.3870	2.3870	2.9820		4.0793	2.9054	2.9054	2.9054	2.9054	2.9054	2.9054
H7	2.9820	2.3870	2.3870	2.3870	1.0973	4.0793		2.9054	2.9054	2.9054	2.9054	2.9054	2.9054
H8	2.2736	1.0990	2.4848	3.1740	2.2736	2.9054	2.9054		1.8158	3.5838	2.3125	3.5838	4.1283
H9	2.2736	1.0990	3.1740	2.4848	2.2736	2.9054	2.9054	1.8158		4.1283	3.5838	2.3125	3.5838
H10	2.2736	3.1740	1.0990	2.4848	2.2736	2.9054	2.9054	3.5838	4.1283		1.8158	3.5838	2.3125
H11	2.2736	2.4848	1.0990	3.1740	2.2736	2.9054	2.9054	2.3125	3.5838	1.8158		4.1283	3.5838
H12	2.2736	2.4848	3.1740	1.0990	2.2736	2.9054	2.9054	3.5838	2.3125	3.5838	4.1283		1.8158
H13	2.2736	3.1740	2.4848	1.0990	2.2736	2.9054	2.9054	4.1283	3.5838	2.3125	3.5838	1.8158

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	74.468	C1	C2	H8	116.658
C1	C2	H9	116.658	C1	C3	C5	74.468
C1	C3	H10	116.657	C1	C3	H11	116.658
C1	C4	C5	74.468	C1	C4	H12	116.658
C1	C4	H13	116.657	C2	C1	C3	87.182
C2	C1	C4	87.182	C2	C1	H6	127.234
C2	C5	C3	87.182	C2	C5	C4	87.182
C2	C5	H7	127.234	C3	C1	C4	87.182
C3	C1	H6	127.234	C3	C5	C4	87.182
C3	C5	H7	127.234	C4	C1	H6	127.234
C4	C5	H7	127.234	C5	C2	H8	116.658
C5	C2	H9	116.658	C5	C3	H10	116.657
C5	C3	H11	116.658	C5	C4	H12	116.658
C5	C4	H13	116.657	H8	C2	H9	111.401
H10	C3	H11	111.401	H12	C4	H13	111.401

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

using model chemistry: CCSD(T)/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: CCSD(T)/6-31G*

States and conformations

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