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	hartrees
Energy at 0K	-194.895795
Energy at 298.15K
HF Energy	-193.968790
Nuclear repulsion energy	179.242621

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	2.031
H7	0.000	0.000	-2.031
H8	0.905	1.850	0.000
H9	-0.905	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		1.5574	1.5574	1.5574	1.8849	1.0890	2.9738	2.2649	2.2649	2.2649	2.2649	2.2649	2.2649
C2	1.5574		2.1476	2.1476	1.5574	2.3799	2.3799	1.0917	1.0917	3.1650	2.4755	2.4755	3.1650
C3	1.5574	2.1476		2.1476	1.5574	2.3799	2.3799	2.4755	3.1650	1.0917	1.0917	3.1650	2.4755
C4	1.5574	2.1476	2.1476		1.5574	2.3799	2.3799	3.1650	2.4755	2.4755	3.1650	1.0917	1.0917
C5	1.8849	1.5574	1.5574	1.5574		2.9738	1.0890	2.2649	2.2649	2.2649	2.2649	2.2649	2.2649
H6	1.0890	2.3799	2.3799	2.3799	2.9738		4.0628	2.8928	2.8928	2.8928	2.8928	2.8928	2.8928
H7	2.9738	2.3799	2.3799	2.3799	1.0890	4.0628		2.8928	2.8928	2.8928	2.8928	2.8928	2.8928
H8	2.2649	1.0917	2.4755	3.1650	2.2649	2.8928	2.8928		1.8109	3.5672	2.2985	3.5672	4.1094
H9	2.2649	1.0917	3.1650	2.4755	2.2649	2.8928	2.8928	1.8109		4.1094	3.5672	2.2985	3.5672
H10	2.2649	3.1650	1.0917	2.4755	2.2649	2.8928	2.8928	3.5672	4.1094		1.8109	3.5672	2.2986
H11	2.2649	2.4755	1.0917	3.1650	2.2649	2.8928	2.8928	2.2985	3.5672	1.8109		4.1094	3.5672
H12	2.2649	2.4755	3.1650	1.0917	2.2649	2.8928	2.8928	3.5672	2.2985	3.5672	4.1094		1.8109
H13	2.2649	3.1650	2.4755	1.0917	2.2649	2.8928	2.8928	4.1094	3.5672	2.2986	3.5672	1.8109

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	74.476	C1	C2	H8	116.410
C1	C2	H9	116.410	C1	C3	C5	74.476
C1	C3	H10	116.410	C1	C3	H11	116.410
C1	C4	C5	74.476	C1	C4	H12	116.410
C1	C4	H13	116.410	C2	C1	C3	87.176
C2	C1	C4	87.176	C2	C1	H6	127.238
C2	C5	C3	87.176	C2	C5	C4	87.176
C2	C5	H7	127.238	C3	C1	C4	87.176
C3	C1	H6	127.238	C3	C5	C4	87.176
C3	C5	H7	127.238	C4	C1	H6	127.238
C4	C5	H7	127.238	C5	C2	H8	116.410
C5	C2	H9	116.410	C5	C3	H10	116.410
C5	C3	H11	116.410	C5	C4	H12	116.410
C5	C4	H13	116.410	H8	C2	H9	112.070
H10	C3	H11	112.069	H12	C4	H13	112.069

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

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

States and conformations

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