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	hartrees
Energy at 0K	-194.259029
Energy at 298.15K
HF Energy	-193.435776
Nuclear repulsion energy	163.888930

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.263
C2	0.000	1.141	0.505
C3	0.000	-1.141	0.505
C4	0.000	0.771	-0.963
C5	0.000	-0.771	-0.963
H6	0.000	0.000	2.344
H7	0.000	2.194	0.730
H8	0.000	-2.194	0.730
H9	0.874	1.182	-1.473
H10	-0.874	1.182	-1.473
H11	0.874	-1.182	-1.473
H12	-0.874	-1.182	-1.473

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.3691	1.3691	2.3557	2.3557	1.0812	2.2582	2.2582	3.1057	3.1057	3.1057	3.1057
C2	1.3691		2.2810	1.5141	2.4106	2.1637	1.0774	3.3424	2.1632	2.1632	3.1735	3.1735
C3	1.3691	2.2810		2.4106	1.5141	2.1637	3.3424	1.0774	3.1735	3.1735	2.1632	2.1632
C4	2.3557	1.5141	2.4106		1.5425	3.3958	2.2112	3.4145	1.0923	1.0923	2.1998	2.1998
C5	2.3557	2.4106	1.5141	1.5425		3.3958	3.4145	2.2112	2.1998	2.1998	1.0923	1.0923
H6	1.0812	2.1637	2.1637	3.3958	3.3958		2.7244	2.7244	4.0903	4.0903	4.0903	4.0903
H7	2.2582	1.0774	3.3424	2.2112	3.4145	2.7244		4.3887	2.5767	2.5767	4.1247	4.1247
H8	2.2582	3.3424	1.0774	3.4145	2.2112	2.7244	4.3887		4.1247	4.1247	2.5767	2.5767
H9	3.1057	2.1632	3.1735	1.0923	2.1998	4.0903	2.5767	4.1247		1.7488	2.3638	2.9404
H10	3.1057	2.1632	3.1735	1.0923	2.1998	4.0903	2.5767	4.1247	1.7488		2.9404	2.3638
H11	3.1057	3.1735	2.1632	2.1998	1.0923	4.0903	4.1247	2.5767	2.3638	2.9404		1.7488
H12	3.1057	3.1735	2.1632	2.1998	1.0923	4.0903	4.1247	2.5767	2.9404	2.3638	1.7488

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	109.476	C1	C2	H7	134.405
C1	C3	C5	109.476	C1	C3	H8	134.405
C2	C1	C3	112.816	C2	C1	H6	123.592
C2	C4	C5	104.116	C2	C4	H9	111.159
C2	C4	H10	111.159	C3	C1	H6	123.592
C3	C5	C4	104.116	C3	C5	H11	111.159
C3	C5	H12	111.159	C4	C2	H7	116.119
C4	C5	H11	112.082	C4	C5	H12	112.082
C5	C3	H8	116.119	C5	C4	H9	112.082
C5	C4	H10	112.082	H9	C4	H10	106.360
H11	C5	H12	106.360

All results from a given calculation for C₅H₇ (cyclopentenyl radical)

using model chemistry: CCD/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 C5H7 (cyclopentenyl radical)

using model chemistry: CCD/cc-pVTZ

States and conformations

All results from a given calculation for C₅H₇ (cyclopentenyl radical)