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	hartrees
Energy at 0K	-194.896323
Energy at 298.15K
HF Energy	-193.968767
Nuclear repulsion energy	179.223886

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.943
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	-0.943
H6	0.000	0.000	2.032
H7	0.000	0.000	-2.032
H8	0.906	1.850	0.000
H9	-0.906	1.850	0.000
H10	1.149	-1.709	0.000
H11	2.055	-0.141	0.000
H12	-2.055	-0.141	0.000
H13	-1.149	-1.709	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5576	1.5576	1.5576	1.8851	1.0890	2.9741	2.2651	2.2651	2.2651	2.2651	2.2651	2.2651
C2	1.5576		2.1478	2.1478	1.5576	2.3801	2.3801	1.0918	1.0918	3.1653	2.4757	2.4757	3.1653
C3	1.5576	2.1478		2.1478	1.5576	2.3801	2.3801	2.4757	3.1653	1.0918	1.0918	3.1653	2.4757
C4	1.5576	2.1478	2.1478		1.5576	2.3801	2.3801	3.1653	2.4757	2.4757	3.1653	1.0918	1.0918
C5	1.8851	1.5576	1.5576	1.5576		2.9741	1.0890	2.2651	2.2651	2.2651	2.2651	2.2651	2.2651
H6	1.0890	2.3801	2.3801	2.3801	2.9741		4.0632	2.8930	2.8930	2.8930	2.8930	2.8930	2.8930
H7	2.9741	2.3801	2.3801	2.3801	1.0890	4.0632		2.8930	2.8930	2.8930	2.8930	2.8930	2.8930
H8	2.2651	1.0918	2.4757	3.1653	2.2651	2.8930	2.8930		1.8110	3.5675	2.2987	3.5675	4.1098
H9	2.2651	1.0918	3.1653	2.4757	2.2651	2.8930	2.8930	1.8110		4.1098	3.5675	2.2987	3.5675
H10	2.2651	3.1653	1.0918	2.4757	2.2651	2.8930	2.8930	3.5675	4.1098		1.8110	3.5675	2.2987
H11	2.2651	2.4757	1.0918	3.1653	2.2651	2.8930	2.8930	2.2987	3.5675	1.8110		4.1098	3.5675
H12	2.2651	2.4757	3.1653	1.0918	2.2651	2.8930	2.8930	3.5675	2.2987	3.5675	4.1098		1.8110
H13	2.2651	3.1653	2.4757	1.0918	2.2651	2.8930	2.8930	4.1098	3.5675	2.2987	3.5675	1.8110

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	74.477	C1	C2	H8	116.409
C1	C2	H9	116.409	C1	C3	C5	74.477
C1	C3	H10	116.409	C1	C3	H11	116.409
C1	C4	C5	74.477	C1	C4	H12	116.409
C1	C4	H13	116.409	C2	C1	C3	87.175
C2	C1	C4	87.175	C2	C1	H6	127.238
C2	C5	C3	87.175	C2	C5	C4	87.175
C2	C5	H7	127.238	C3	C1	C4	87.175
C3	C1	H6	127.238	C3	C5	C4	87.175
C3	C5	H7	127.238	C4	C1	H6	127.238
C4	C5	H7	127.238	C5	C2	H8	116.409
C5	C2	H9	116.409	C5	C3	H10	116.409
C5	C3	H11	116.409	C5	C4	H12	116.409
C5	C4	H13	116.409	H8	C2	H9	112.073
H10	C3	H11	112.073	H12	C4	H13	112.073

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

using model chemistry: QCISD(T)/cc-pVTZ

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: QCISD(T)/cc-pVTZ

States and conformations

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