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	hartrees
Energy at 0K	-194.936003
Energy at 298.15K
HF Energy	-193.969754
Nuclear repulsion energy	180.448985

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.935
C2	0.000	1.233	0.000
C3	1.068	-0.616	0.000
C4	-1.068	-0.616	0.000
C5	0.000	0.000	-0.935
H6	0.000	0.000	2.016
H7	0.000	0.000	-2.016
H8	0.898	1.839	0.000
H9	-0.898	1.839	0.000
H10	1.143	-1.697	0.000
H11	2.041	-0.141	0.000
H12	-2.041	-0.141	0.000
H13	-1.143	-1.697	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5471	1.5471	1.5471	1.8699	1.0806	2.9505	2.2498	2.2498	2.2498	2.2498	2.2498	2.2498
C2	1.5471		2.1350	2.1350	1.5471	2.3626	2.3626	1.0837	1.0837	3.1450	2.4606	2.4606	3.1450
C3	1.5471	2.1350		2.1350	1.5471	2.3626	2.3626	2.4606	3.1450	1.0837	1.0837	3.1450	2.4606
C4	1.5471	2.1350	2.1350		1.5471	2.3626	2.3626	3.1450	2.4606	2.4606	3.1450	1.0837	1.0837
C5	1.8699	1.5471	1.5471	1.5471		2.9505	1.0806	2.2498	2.2498	2.2498	2.2498	2.2498	2.2498
H6	1.0806	2.3626	2.3626	2.3626	2.9505		4.0311	2.8722	2.8722	2.8722	2.8722	2.8722	2.8722
H7	2.9505	2.3626	2.3626	2.3626	1.0806	4.0311		2.8722	2.8722	2.8722	2.8722	2.8722	2.8722
H8	2.2498	1.0837	2.4606	3.1450	2.2498	2.8722	2.8722		1.7969	3.5443	2.2859	3.5443	4.0829
H9	2.2498	1.0837	3.1450	2.4606	2.2498	2.8722	2.8722	1.7969		4.0829	3.5443	2.2859	3.5443
H10	2.2498	3.1450	1.0837	2.4606	2.2498	2.8722	2.8722	3.5443	4.0829		1.7969	3.5443	2.2859
H11	2.2498	2.4606	1.0837	3.1450	2.2498	2.8722	2.8722	2.2859	3.5443	1.7969		4.0829	3.5443
H12	2.2498	2.4606	3.1450	1.0837	2.2498	2.8722	2.8722	3.5443	2.2859	3.5443	4.0829		1.7969
H13	2.2498	3.1450	2.4606	1.0837	2.2498	2.8722	2.8722	4.0829	3.5443	2.2859	3.5443	1.7969

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	74.360	C1	C2	H8	116.452
C1	C2	H9	116.452	C1	C3	C5	74.360
C1	C3	H10	116.452	C1	C3	H11	116.452
C1	C4	C5	74.360	C1	C4	H12	116.452
C1	C4	H13	116.452	C2	C1	C3	87.260
C2	C1	C4	87.260	C2	C1	H6	127.180
C2	C5	C3	87.260	C2	C5	C4	87.260
C2	C5	H7	127.180	C3	C1	C4	87.260
C3	C1	H6	127.180	C3	C5	C4	87.260
C3	C5	H7	127.180	C4	C1	H6	127.180
C4	C5	H7	127.180	C5	C2	H8	116.452
C5	C2	H9	116.452	C5	C3	H10	116.452
C5	C3	H11	116.452	C5	C4	H12	116.452
C5	C4	H13	116.452	H8	C2	H9	112.015
H10	C3	H11	112.015	H12	C4	H13	112.015

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

using model chemistry: MP3=FULL/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: MP3=FULL/cc-pVTZ

States and conformations

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