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	hartrees
Energy at 0K	-194.671370
Energy at 298.15K
HF Energy	-193.931162
Nuclear repulsion energy	170.675788

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.762	1.269
C3	0.000	-0.762	1.269
C4	-0.762	0.000	-1.269
C5	0.762	0.000	-1.269
H6	0.909	1.264	1.569
H7	-0.909	1.264	1.569
H8	-0.909	-1.264	1.569
H9	0.909	-1.264	1.569
H10	-1.264	-0.909	-1.569
H11	-1.264	0.909	-1.569
H12	1.264	0.909	-1.569
H13	1.264	-0.909	-1.569

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4801	1.4801	1.4801	1.4801	2.2110	2.2110	2.2110	2.2110	2.2110	2.2110	2.2110	2.2110
C2	1.4801		1.5250	2.7569	2.7569	1.0813	1.0813	2.2418	2.2418	3.5281	3.1103	3.1103	3.5281
C3	1.4801	1.5250		2.7569	2.7569	2.2418	2.2418	1.0813	1.0813	3.1103	3.5281	3.5281	3.1103
C4	1.4801	2.7569	2.7569		1.5250	3.5281	3.1103	3.1103	3.5281	1.0813	1.0813	2.2418	2.2418
C5	1.4801	2.7569	2.7569	1.5250		3.1103	3.5281	3.5281	3.1103	2.2418	2.2418	1.0813	1.0813
H6	2.2110	1.0813	2.2418	3.5281	3.1103		1.8186	3.1149	2.5289	4.3933	3.8343	3.1785	3.8343
H7	2.2110	1.0813	2.2418	3.1103	3.5281	1.8186		2.5289	3.1149	3.8343	3.1785	3.8343	4.3933
H8	2.2110	2.2418	1.0813	3.1103	3.5281	3.1149	2.5289		1.8186	3.1785	3.8343	4.3933	3.8343
H9	2.2110	2.2418	1.0813	3.5281	3.1103	2.5289	3.1149	1.8186		3.8343	4.3933	3.8343	3.1785
H10	2.2110	3.5281	3.1103	1.0813	2.2418	4.3933	3.8343	3.1785	3.8343		1.8186	3.1149	2.5289
H11	2.2110	3.1103	3.5281	1.0813	2.2418	3.8343	3.1785	3.8343	4.3933	1.8186		2.5289	3.1149
H12	2.2110	3.1103	3.5281	2.2418	1.0813	3.1785	3.8343	4.3933	3.8343	3.1149	2.5289		1.8186
H13	2.2110	3.5281	3.1103	2.2418	1.0813	3.8343	4.3933	3.8343	3.1785	2.5289	3.1149	1.8186

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	58.993	C1	C2	H6	118.520
C1	C2	H7	118.520	C1	C3	C2	58.993
C1	C3	H8	118.520	C1	C3	H9	118.520
C1	C4	C5	58.993	C1	C4	H10	118.520
C1	C4	H11	118.520	C1	C5	C4	58.993
C1	C5	H12	118.520	C1	C5	H13	118.520
C2	C1	C3	62.015	C2	C1	C4	137.275
C2	C1	C5	137.275	C2	C3	H8	117.659
C2	C3	H9	117.659	C3	C1	C4	137.275
C3	C1	C5	137.275	C3	C2	H6	117.659
C3	C2	H7	117.659	C4	C1	C5	62.015
C4	C5	H12	117.659	C4	C5	H13	117.659
C5	C4	H10	117.659	C5	C4	H11	117.659
H6	C2	H7	114.480	H8	C3	H9	114.480
H10	C4	H11	114.480	H12	C5	H13	114.480

All results from a given calculation for C₅H₈ (Spiropentane)

using model chemistry: MP3/6-31+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 (Spiropentane)

using model chemistry: MP3/6-31+G**

States and conformations

All results from a given calculation for C₅H₈ (Spiropentane)