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	hartrees
Energy at 0K	-194.731426
Energy at 298.15K
HF Energy	-193.920303
Nuclear repulsion energy	179.302328

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.942
C2	0.000	1.239	0.000
C3	1.073	-0.620	0.000
C4	-1.073	-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	0.904	1.853	0.000
H9	-0.904	1.853	0.000
H10	1.153	-1.709	0.000
H11	2.056	-0.144	0.000
H12	-2.056	-0.144	0.000
H13	-1.153	-1.709	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5562	1.5562	1.5562	1.8831	1.0898	2.9728	2.2660	2.2660	2.2660	2.2660	2.2660	2.2660
C2	1.5562		2.1460	2.1460	1.5562	2.3793	2.3793	1.0922	1.0922	3.1652	2.4779	2.4779	3.1652
C3	1.5562	2.1460		2.1460	1.5562	2.3793	2.3793	2.4779	3.1651	1.0922	1.0922	3.1651	2.4779
C4	1.5562	2.1460	2.1460		1.5562	2.3793	2.3793	3.1651	2.4779	2.4779	3.1651	1.0922	1.0922
C5	1.8831	1.5562	1.5562	1.5562		2.9728	1.0898	2.2660	2.2660	2.2660	2.2660	2.2660	2.2660
H6	1.0898	2.3793	2.3793	2.3793	2.9728		4.0626	2.8939	2.8939	2.8939	2.8939	2.8939	2.8939
H7	2.9728	2.3793	2.3793	2.3793	1.0898	4.0626		2.8939	2.8939	2.8939	2.8939	2.8939	2.8939
H8	2.2660	1.0922	2.4779	3.1651	2.2660	2.8939	2.8939		1.8072	3.5701	2.3051	3.5701	4.1123
H9	2.2660	1.0922	3.1651	2.4779	2.2660	2.8939	2.8939	1.8072		4.1123	3.5701	2.3051	3.5701
H10	2.2660	3.1652	1.0922	2.4779	2.2660	2.8939	2.8939	3.5701	4.1123		1.8072	3.5701	2.3051
H11	2.2660	2.4779	1.0922	3.1651	2.2660	2.8939	2.8939	2.3051	3.5701	1.8072		4.1123	3.5701
H12	2.2660	2.4779	3.1651	1.0922	2.2660	2.8939	2.8939	3.5701	2.3051	3.5701	4.1123		1.8072
H13	2.2660	3.1652	2.4779	1.0922	2.2660	2.8939	2.8939	4.1123	3.5701	2.3051	3.5701	1.8072

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	74.462	C1	C2	H8	116.568
C1	C2	H9	116.568	C1	C3	C5	74.462
C1	C3	H10	116.568	C1	C3	H11	116.568
C1	C4	C5	74.462	C1	C4	H12	116.568
C1	C4	H13	116.568	C2	C1	C3	87.186
C2	C1	C4	87.186	C2	C1	H6	127.231
C2	C5	C3	87.186	C2	C5	C4	87.186
C2	C5	H7	127.231	C3	C1	C4	87.186
C3	C1	H6	127.231	C3	C5	C4	87.186
C3	C5	H7	127.231	C4	C1	H6	127.231
C4	C5	H7	127.231	C5	C2	H8	116.568
C5	C2	H9	116.568	C5	C3	H10	116.568
C5	C3	H11	116.568	C5	C4	H12	116.568
C5	C4	H13	116.568	H8	C2	H9	111.648
H10	C3	H11	111.648	H12	C4	H13	111.648

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

using model chemistry: QCISD(T)=FULL/6-31+G**

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)=FULL/6-31+G**

States and conformations

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