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	hartrees
Energy at 0K	-194.647145
Energy at 298.15K
HF Energy	-193.942213
Nuclear repulsion energy	176.357190

Atom	x (Å)	y (Å)	z (Å)
C1	-0.247	-0.538	0.765
C2	-0.247	-0.538	-0.765
C3	-0.247	0.989	0.780
C4	-0.247	0.989	-0.780
C5	0.945	-1.036	0.000
H6	-0.791	-1.182	1.442
H7	-0.791	-1.182	-1.442
H8	0.607	1.457	1.277
H9	0.607	1.457	-1.277
H10	-1.165	1.412	1.186
H11	-1.165	1.412	-1.186
H12	1.865	-0.459	0.000
H13	1.083	-2.109	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5308	1.5277	2.1731	1.5008	1.0815	2.3634	2.2299	2.9800	2.1961	2.9076	2.2469	2.1959
C2	1.5308		2.1731	1.5277	1.5008	2.3634	1.0815	2.9800	2.2299	2.9076	2.1961	2.2469	2.1959
C3	1.5277	2.1731		1.5604	2.4756	2.3345	3.1546	1.0924	2.2754	1.0893	2.2110	2.6762	3.4609
C4	2.1731	1.5277	1.5604		2.4756	3.1546	2.3345	2.2754	1.0924	2.2110	1.0893	2.6762	3.4609
C5	1.5008	1.5008	2.4756	2.4756		2.2620	2.2620	2.8214	2.8214	3.4420	3.4420	1.0857	1.0823
H6	1.0815	2.3634	2.3345	3.1546	2.2620		2.8849	2.9915	4.0391	2.6329	3.7116	3.1077	2.5408
H7	2.3634	1.0815	3.1546	2.3345	2.2620	2.8849		4.0391	2.9915	3.7116	2.6329	3.1077	2.5408
H8	2.2299	2.9800	1.0924	2.2754	2.8214	2.9915	4.0391		2.5532	1.7743	3.0340	2.6238	3.8181
H9	2.9800	2.2299	2.2754	1.0924	2.8214	4.0391	2.9915	2.5532		3.0340	1.7743	2.6238	3.8181
H10	2.1961	2.9076	1.0893	2.2110	3.4420	2.6329	3.7116	1.7743	3.0340		2.3723	3.7527	4.3425
H11	2.9076	2.1961	2.2110	1.0893	3.4420	3.7116	2.6329	3.0340	1.7743	2.3723		3.7527	4.3425
H12	2.2469	2.2469	2.6762	2.6762	1.0857	3.1077	3.1077	2.6238	2.6238	3.7527	3.7527		1.8258
H13	2.1959	2.1959	3.4609	3.4609	1.0823	2.5408	2.5408	3.8181	3.8181	4.3425	4.3425	1.8258

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	90.557	C1	C2	C5	59.337
C1	C2	H7	128.759	C1	C3	C4	89.443
C1	C3	H8	115.658	C1	C3	H10	113.039
C1	C5	C2	61.326	C1	C5	H12	119.759
C1	C5	H13	115.493	C2	C1	C3	90.557
C2	C1	C5	59.337	C2	C1	H6	128.759
C2	C4	C3	89.443	C2	C4	H9	115.658
C2	C4	H11	113.039	C2	C5	H12	119.759
C2	C5	H13	115.493	C3	C1	C5	109.654
C3	C1	H6	126.089	C3	C4	H9	117.026
C3	C4	H11	111.880	C4	C2	C5	109.654
C4	C2	H7	126.089	C4	C3	H8	117.026
C4	C3	H10	111.880	C5	C1	H6	121.466
C5	C2	H7	121.466	H8	C3	H10	108.834
H9	C4	H11	108.834	H12	C5	H13	114.735

All results from a given calculation for C₅H₈ (Bicyclo[2.1.0]pentane)

using model chemistry: MP2/6-31+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[2.1.0]pentane)

using model chemistry: MP2/6-31+G**

States and conformations

All results from a given calculation for C₅H₈ (Bicyclo[2.1.0]pentane)