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	hartrees
Energy at 0K	-194.737042
Energy at 298.15K	-194.731523
HF Energy	-193.958114
Nuclear repulsion energy	176.160929

Atom	x (Å)	y (Å)	z (Å)
C1	-0.247	-0.539	0.767
C2	-0.247	-0.539	-0.767
C3	-0.247	0.990	0.780
C4	-0.247	0.990	-0.780
C5	0.945	-1.035	0.000
H6	-0.793	-1.185	1.446
H7	-0.793	-1.185	-1.446
H8	0.609	1.457	1.279
H9	0.609	1.457	-1.279
H10	-1.167	1.414	1.187
H11	-1.167	1.414	-1.187
H12	1.868	-0.458	0.000
H13	1.081	-2.112	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5344	1.5285	2.1751	1.5017	1.0850	2.3697	2.2312	2.9837	2.1993	2.9117	2.2511	2.1967
C2	1.5344		2.1751	1.5285	1.5017	2.3697	1.0850	2.9837	2.2312	2.9117	2.1993	2.2511	2.1967
C3	1.5285	2.1751		1.5606	2.4757	2.3392	3.1600	1.0949	2.2782	1.0917	2.2126	2.6792	3.4627
C4	2.1751	1.5285	1.5606		2.4757	3.1600	2.3392	2.2782	1.0949	2.2126	1.0917	2.6792	3.4627
C5	1.5017	1.5017	2.4757	2.4757		2.2660	2.2660	2.8215	2.8215	3.4449	3.4449	1.0885	1.0851
H6	1.0850	2.3697	2.3392	3.1600	2.2660		2.8923	2.9959	4.0464	2.6389	3.7186	3.1147	2.5420
H7	2.3697	1.0850	3.1600	2.3392	2.2660	2.8923		4.0464	2.9959	3.7186	2.6389	3.1147	2.5420
H8	2.2312	2.9837	1.0949	2.2782	2.8215	2.9959	4.0464		2.5576	1.7784	3.0384	2.6252	3.8206
H9	2.9837	2.2312	2.2782	1.0949	2.8215	4.0464	2.9959	2.5576		3.0384	1.7784	2.6252	3.8206
H10	2.1993	2.9117	1.0917	2.2126	3.4449	2.6389	3.7186	1.7784	3.0384		2.3731	3.7584	4.3466
H11	2.9117	2.1993	2.2126	1.0917	3.4449	3.7186	2.6389	3.0384	1.7784	2.3731		3.7584	4.3466
H12	2.2511	2.2511	2.6792	2.6792	1.0885	3.1147	3.1147	2.6252	2.6252	3.7584	3.7584		1.8312
H13	2.1967	2.1967	3.4627	3.4627	1.0851	2.5420	2.5420	3.8206	3.8206	4.3466	4.3466	1.8312

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	90.491	C1	C2	C5	59.277
C1	C2	H7	128.738	C1	C3	C4	89.509
C1	C3	H8	115.532	C1	C3	H10	113.085
C1	C5	C2	61.446	C1	C5	H12	119.858
C1	C5	H13	115.296	C2	C1	C3	90.491
C2	C1	C5	59.277	C2	C1	H6	128.738
C2	C4	C3	89.509	C2	C4	H9	115.532
C2	C4	H11	113.085	C2	C5	H12	119.858
C2	C5	H13	115.296	C3	C1	C5	109.566
C3	C1	H6	126.180	C3	C4	H9	117.081
C3	C4	H11	111.846	C4	C2	C5	109.566
C4	C2	H7	126.180	C4	C3	H8	117.081
C4	C3	H10	111.846	C5	C1	H6	121.493
C5	C2	H7	121.493	H8	C3	H10	108.836
H9	C4	H11	108.836	H12	C5	H13	114.804

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

using model chemistry: MP2=FULL/6-311G*

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=FULL/6-311G*

States and conformations

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