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	hartrees
Energy at 0K	-194.909365
Energy at 298.15K
HF Energy	-193.969700
Nuclear repulsion energy	179.129452

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.943
C2	0.000	1.241	0.000
C3	1.075	-0.620	0.000
C4	-1.075	-0.620	0.000
C5	0.000	0.000	-0.943
H6	0.000	0.000	2.033
H7	0.000	0.000	-2.033
H8	0.907	1.850	0.000
H9	-0.907	1.850	0.000
H10	1.149	-1.710	0.000
H11	2.056	-0.140	0.000
H12	-2.056	-0.140	0.000
H13	-1.149	-1.710	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5584	1.5584	1.5584	1.8859	1.0899	2.9757	2.2661	2.2661	2.2661	2.2661	2.2661	2.2661
C2	1.5584		2.1490	2.1490	1.5584	2.3815	2.3815	1.0926	1.0926	3.1670	2.4764	2.4764	3.1670
C3	1.5584	2.1490		2.1490	1.5584	2.3815	2.3815	2.4764	3.1670	1.0926	1.0926	3.1670	2.4764
C4	1.5584	2.1490	2.1490		1.5584	2.3815	2.3815	3.1670	2.4764	2.4764	3.1670	1.0926	1.0926
C5	1.8859	1.5584	1.5584	1.5584		2.9757	1.0899	2.2661	2.2661	2.2661	2.2661	2.2661	2.2661
H6	1.0899	2.3815	2.3815	2.3815	2.9757		4.0656	2.8945	2.8945	2.8945	2.8945	2.8945	2.8945
H7	2.9757	2.3815	2.3815	2.3815	1.0899	4.0656		2.8945	2.8945	2.8945	2.8945	2.8945	2.8945
H8	2.2661	1.0926	2.4764	3.1670	2.2661	2.8945	2.8945		1.8135	3.5690	2.2982	3.5690	4.1117
H9	2.2661	1.0926	3.1670	2.4764	2.2661	2.8945	2.8945	1.8135		4.1117	3.5690	2.2982	3.5690
H10	2.2661	3.1670	1.0926	2.4764	2.2661	2.8945	2.8945	3.5690	4.1117		1.8135	3.5690	2.2982
H11	2.2661	2.4764	1.0926	3.1670	2.2661	2.8945	2.8945	2.2982	3.5690	1.8135		4.1117	3.5690
H12	2.2661	2.4764	3.1670	1.0926	2.2661	2.8945	2.8945	3.5690	2.2982	3.5690	4.1117		1.8135
H13	2.2661	3.1670	2.4764	1.0926	2.2661	2.8945	2.8945	4.1117	3.5690	2.2982	3.5690	1.8135

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	74.468	C1	C2	H8	116.373
C1	C2	H9	116.373	C1	C3	C5	74.468
C1	C3	H10	116.373	C1	C3	H11	116.374
C1	C4	C5	74.468	C1	C4	H12	116.374
C1	C4	H13	116.373	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	116.373
C5	C2	H9	116.373	C5	C3	H10	116.373
C5	C3	H11	116.374	C5	C4	H12	116.374
C5	C4	H13	116.373	H8	C2	H9	112.172
H10	C3	H11	112.172	H12	C4	H13	112.172

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

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

States and conformations

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