CCCBDB calculation results Page

State	Conformation	minimum conformation	conformer description	state description
1	1	yes	IH	¹A_G

	hartrees
Energy at 0K	-2272.499146
Energy at 298.15K
HF Energy	-2272.499146
Nuclear repulsion energy	8411.457258

A	B	C
0.00284	0.00284	0.00284

Geometric Data calculated at HF/Def2TZVPP

Point Group is C_i

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	-0.995	3.300	-0.723
C2	-0.995	3.300	0.723
C3	0.380	3.300	1.170
C4	1.230	3.300	0.000
C5	0.380	3.300	-1.170
C6	0.742	2.576	-2.284
C7	1.972	1.816	-2.284
C8	2.782	1.816	-1.170
C9	2.402	2.576	0.000
C10	2.782	1.816	1.170
C11	1.972	1.816	2.284
C12	0.742	2.576	2.284
C13	-0.253	1.816	3.007
C14	-1.563	1.816	2.582
C15	-1.943	2.576	1.412
C16	-2.938	1.816	0.689
C17	-3.173	0.586	1.412
C18	-2.323	0.586	2.582
C19	-1.737	-0.586	3.007
C20	-0.362	-0.586	3.454
C21	0.362	0.586	3.454
C22	1.737	0.586	3.007
C23	2.323	-0.586	2.582
C24	3.173	-0.586	1.412
C25	3.397	0.586	0.723
C26	3.397	0.586	-0.723
C27	3.173	-0.586	-1.412
C28	2.323	-0.586	-2.582
C29	1.737	0.586	-3.007
C30	0.362	0.586	-3.454
C31	-0.362	-0.586	-3.454
C32	0.253	-1.816	-3.007
C33	1.563	-1.816	-2.582
C34	1.943	-2.576	-1.412
C35	2.938	-1.816	-0.689
C36	2.938	-1.816	0.689
C37	1.943	-2.576	1.412
C38	1.563	-1.816	2.582
C39	0.253	-1.816	3.007
C40	-0.742	-2.576	2.284
C41	-1.972	-1.816	2.284
C42	-2.782	-1.816	1.170
C43	-3.397	-0.586	0.723
C44	-3.397	-0.586	-0.723
C45	-2.782	-1.816	-1.170
C46	-2.402	-2.576	0.000
C47	-1.230	-3.300	0.000
C48	-0.380	-3.300	1.170
C49	0.995	-3.300	0.723
C50	0.995	-3.300	-0.723
C51	-0.380	-3.300	-1.170
C52	-0.742	-2.576	-2.284
C53	-1.972	-1.816	-2.284
C54	-1.737	-0.586	-3.007
C55	-2.323	0.586	-2.582
C56	-3.173	0.586	-1.412
C57	-2.938	1.816	-0.689
C58	-1.943	2.576	-1.412
C59	-1.563	1.816	-2.582
C60	-0.253	1.816	-3.007

Atom - Atom Distances (Å)

	C1	C2	C3	C4	C5	C6	C7	C8	C9	C10	C11	C12	C13	C14	C15	C16	C17	C18	C19	C20	C21	C22	C23	C24	C25	C26	C27	C28	C29	C30	C31	C32	C33	C34	C35	C36	C37	C38	C39	C40	C41	C42	C43	C44	C45	C46	C47	C48	C49	C50	C51	C52	C53	C54	C55	C56	C57	C58	C59	C60
C1		1.4462	2.3400	2.3401	1.4462	2.4455	3.6672	4.0830	3.5479	4.4783	4.4783	3.5479	4.0830	3.6672	2.4455	2.8235	4.0830	4.4783	5.4378	5.7406	5.1636	5.3623	6.0859	6.0859	5.3623	5.1636	5.7406	5.4378	4.4783	4.0830	4.7920	5.7406	6.0148	6.6064	6.4539	6.6064	6.9086	6.6064	6.4539	6.6064	6.0148	5.7406	4.7920	4.5685	5.4378	6.0859	6.6445	6.8945	7.0445	6.8945	6.6445	6.0859	5.4378	4.5685	3.5479	3.5479	2.4455	1.3773	2.4455	2.8235
C2	1.4462		1.4462	2.3401	2.3400	3.5479	4.4783	4.4783	3.5479	4.0830	3.6672	2.4455	2.8235	2.4455	1.3773	2.4455	3.5479	3.5479	4.5685	4.7920	4.0830	4.4783	5.4378	5.7406	5.1636	5.3623	6.0859	6.0859	5.3623	5.1636	5.7406	6.4539	6.6064	6.9086	6.6064	6.4539	6.6064	6.0148	5.7406	6.0859	5.4378	5.4378	4.5685	4.7920	5.7406	6.0859	6.6445	6.6445	6.8945	7.0445	6.8945	6.6064	6.0148	5.4378	4.4783	4.0830	2.8235	2.4455	3.6672	4.0830
C3	2.3400	1.4462		1.4462	2.3401	3.5479	4.0830	3.6672	2.4455	2.8235	2.4455	1.3773	2.4455	2.8235	2.4455	3.6672	4.4783	4.0830	4.7920	4.5685	3.5479	3.5479	4.5685	4.7920	4.0830	4.4783	5.4378	5.7406	5.1636	5.3623	6.0859	6.6064	6.4539	6.6064	6.0148	5.7406	6.0859	5.4378	5.4378	6.0859	5.7406	6.0148	5.4378	5.7406	6.4539	6.6064	6.8945	6.6445	6.6445	6.8945	7.0445	6.9086	6.6064	6.0859	5.3623	5.1636	4.0830	3.5479	4.4783	4.4783
C4	2.3401	2.3401	1.4462		1.4462	2.4455	2.8235	2.4455	1.3773	2.4455	2.8235	2.4455	3.6672	4.0830	3.5479	4.4783	5.3623	5.1636	5.7406	5.4378	4.4783	4.0830	4.7920	4.5685	3.5479	3.5479	4.5685	4.7920	4.0830	4.4783	5.4378	6.0148	5.7406	6.0859	5.4378	5.4378	6.0859	5.7406	6.0148	6.6064	6.4539	6.6064	6.0859	6.0859	6.6064	6.9086	7.0445	6.8945	6.6445	6.6445	6.8945	6.6064	6.4539	5.7406	5.1636	5.3623	4.4783	3.5479	4.0830	3.6672
C5	1.4462	2.3400	2.3401	1.4462		1.3773	2.4455	2.8235	2.4455	3.6672	4.0830	3.5479	4.4783	4.4783	3.5479	4.0830	5.1636	5.3623	6.0859	6.0859	5.3623	5.1636	5.7406	5.4378	4.4783	4.0830	4.7920	4.5685	3.5479	3.5479	4.5685	5.4378	5.4378	6.0859	5.7406	6.0148	6.6064	6.4539	6.6064	6.9086	6.6064	6.4539	5.7406	5.4378	6.0148	6.6064	6.8945	7.0445	6.8945	6.6445	6.6445	6.0859	5.7406	4.7920	4.0830	4.4783	3.6672	2.4455	2.8235	2.4455
C6	2.4455	3.5479	3.5479	2.4455	1.3773		1.4462	2.4455	2.8235	4.0830	4.7920	4.5685	5.4378	5.4378	4.5685	4.7920	5.7406	6.0859	6.6445	6.6445	6.0859	5.7406	6.0148	5.4378	4.4783	3.6672	4.0830	3.5479	2.3401	2.3401	3.5479	4.4783	4.4783	5.3623	5.1636	5.7406	6.4539	6.6064	6.8945	7.0445	6.8945	6.6064	6.0148	5.4378	5.7406	6.4539	6.6064	6.9086	6.6064	6.0859	6.0859	5.3623	5.1636	4.0830	3.6672	4.4783	4.0830	2.8235	2.4455	1.4462
C7	3.6672	4.4783	4.0830	2.8235	2.4455	1.4462		1.3773	2.4455	3.5479	4.5685	4.7920	5.7406	6.0148	5.4378	5.7406	6.4539	6.6064	6.8945	6.6445	6.0859	5.4378	5.4378	4.5685	3.5479	2.4455	2.8235	2.4455	1.4462	2.3401	3.5479	4.0830	3.6672	4.4783	4.0830	4.7920	5.7406	6.0859	6.6445	6.8945	7.0445	6.9086	6.6064	6.0859	6.0859	6.6064	6.4539	6.6064	6.0148	5.4378	5.7406	5.1636	5.3623	4.4783	4.4783	5.3623	5.1636	4.0830	3.5479	2.3401
C8	4.0830	4.4783	3.6672	2.4455	2.8235	2.4455	1.3773		1.4462	2.3401	3.5479	4.0830	5.1636	5.7406	5.4378	6.0148	6.6064	6.4539	6.6064	6.0859	5.3623	4.4783	4.4783	3.5479	2.3401	1.4462	2.4455	2.8235	2.4455	3.5479	4.5685	4.7920	4.0830	4.4783	3.6672	4.0830	5.1636	5.3623	6.0859	6.6064	6.9086	7.0445	6.8945	6.6445	6.6445	6.8945	6.6064	6.4539	5.7406	5.4378	6.0148	5.7406	6.0859	5.4378	5.4378	6.0859	5.7406	4.7920	4.5685	3.5479
C9	3.5479	3.5479	2.4455	1.3773	2.4455	2.8235	2.4455	1.4462		1.4462	2.4455	2.8235	4.0830	4.7920	4.5685	5.4378	6.0859	5.7406	6.0148	5.4378	4.4783	3.6672	4.0830	3.5479	2.3401	2.3401	3.5479	4.0830	3.6672	4.4783	5.4378	5.7406	5.1636	5.3623	4.4783	4.4783	5.3623	5.1636	5.7406	6.4539	6.6064	6.8945	6.6445	6.6445	6.8945	7.0445	6.9086	6.6064	6.0859	6.0859	6.6064	6.4539	6.6064	6.0148	5.7406	6.0859	5.4378	4.5685	4.7920	4.0830
C10	4.4783	4.0830	2.8235	2.4455	3.6672	4.0830	3.5479	2.3401	1.4462		1.3773	2.4455	3.5479	4.5685	4.7920	5.7406	6.0859	5.4378	5.4378	4.5685	3.5479	2.4455	2.8235	2.4455	1.4462	2.3401	3.5479	4.4783	4.4783	5.3623	6.0859	6.0859	5.3623	5.1636	4.0830	3.6672	4.4783	4.0830	4.7920	5.7406	6.0859	6.6445	6.6445	6.8945	7.0445	6.8945	6.6064	6.0148	5.4378	5.7406	6.4539	6.6064	6.9086	6.6064	6.4539	6.6064	6.0148	5.4378	5.7406	5.1636
C11	4.4783	3.6672	2.4455	2.8235	4.0830	4.7920	4.5685	3.5479	2.4455	1.3773		1.4462	2.3401	3.5479	4.0830	5.1636	5.3623	4.4783	4.4783	3.5479	2.3401	1.4462	2.4455	2.8235	2.4455	3.5479	4.5685	5.4378	5.4378	6.0859	6.6445	6.6445	6.0859	5.7406	4.7920	4.0830	4.4783	3.6672	4.0830	5.1636	5.3623	6.0859	6.0859	6.6064	6.9086	6.6064	6.4539	5.7406	5.4378	6.0148	6.6064	6.8945	7.0445	6.8945	6.6064	6.4539	5.7406	5.4378	6.0148	5.7406
C12	3.5479	2.4455	1.3773	2.4455	3.5479	4.5685	4.7920	4.0830	2.8235	2.4455	1.4462		1.4462	2.4455	2.8235	4.0830	4.4783	3.6672	4.0830	3.5479	2.3401	2.3401	3.5479	4.0830	3.6672	4.4783	5.4378	6.0148	5.7406	6.0859	6.6445	6.8945	6.6064	6.4539	5.7406	5.1636	5.3623	4.4783	4.4783	5.3623	5.1636	5.7406	5.4378	6.0148	6.6064	6.4539	6.6064	6.0859	6.0859	6.6064	6.9086	7.0445	6.8945	6.6445	6.0859	5.7406	4.7920	4.5685	5.4378	5.4378
C13	4.0830	2.8235	2.4455	3.6672	4.4783	5.4378	5.7406	5.1636	4.0830	3.5479	2.3401	1.4462		1.3773	2.4455	3.5479	3.5479	2.4455	2.8235	2.4455	1.4462	2.3401	3.5479	4.4783	4.4783	5.3623	6.0859	6.6064	6.4539	6.6064	6.8945	7.0445	6.9086	6.6064	6.0859	5.3623	5.1636	4.0830	3.6672	4.4783	4.0830	4.7920	4.5685	5.4378	6.0859	5.7406	6.0148	5.4378	5.7406	6.4539	6.6064	6.8945	6.6445	6.6445	6.0859	5.4378	4.5685	4.7920	5.7406	6.0148
C14	3.6672	2.4455	2.8235	4.0830	4.4783	5.4378	6.0148	5.7406	4.7920	4.5685	3.5479	2.4455	1.3773		1.4462	2.3401	2.3401	1.4462	2.4455	2.8235	2.4455	3.5479	4.5685	5.4378	5.4378	6.0859	6.6445	6.8945	6.6064	6.4539	6.6064	6.9086	7.0445	6.8945	6.6445	6.0859	5.7406	4.7920	4.0830	4.4783	3.6672	4.0830	3.5479	4.4783	5.3623	5.1636	5.7406	5.4378	6.0148	6.6064	6.4539	6.6064	6.0859	6.0859	5.3623	4.4783	3.5479	4.0830	5.1636	5.7406
C15	2.4455	1.3773	2.4455	3.5479	3.5479	4.5685	5.4378	5.4378	4.5685	4.7920	4.0830	2.8235	2.4455	1.4462		1.4462	2.3401	2.3401	3.5479	4.0830	3.6672	4.4783	5.4378	6.0148	5.7406	6.0859	6.6445	6.6445	6.0859	5.7406	6.0148	6.6064	6.8945	7.0445	6.8945	6.6064	6.4539	5.7406	5.1636	5.3623	4.4783	4.4783	3.5479	4.0830	5.1636	5.3623	6.0859	6.0859	6.6064	6.9086	6.6064	6.4539	5.7406	5.4378	4.4783	3.6672	2.4455	2.8235	4.0830	4.7920
C16	2.8235	2.4455	3.6672	4.4783	4.0830	4.7920	5.7406	6.0148	5.4378	5.7406	5.1636	4.0830	3.5479	2.3401	1.4462		1.4462	2.3401	3.5479	4.4783	4.4783	5.3623	6.0859	6.6064	6.4539	6.6064	6.8945	6.6445	6.0859	5.4378	5.4378	6.0859	6.6445	6.8945	7.0445	6.9086	6.6064	6.0859	5.3623	5.1636	4.0830	3.6672	2.4455	2.8235	4.0830	4.4783	5.4378	5.7406	6.4539	6.6064	6.0148	5.7406	4.7920	4.5685	3.5479	2.4455	1.3773	2.4455	3.5479	4.5685
C17	4.0830	3.5479	4.4783	5.3623	5.1636	5.7406	6.4539	6.6064	6.0859	6.0859	5.3623	4.4783	3.5479	2.3401	2.3401	1.4462		1.4462	2.4455	3.6672	4.0830	5.1636	5.7406	6.4539	6.6064	6.9086	7.0445	6.8945	6.6064	6.0148	5.7406	6.0859	6.6445	6.6445	6.8945	6.6064	6.0148	5.4378	4.4783	4.0830	2.8235	2.4455	1.3773	2.4455	3.5479	3.5479	4.5685	4.7920	5.7406	6.0859	5.4378	5.4378	4.5685	4.7920	4.0830	2.8235	2.4455	3.6672	4.4783	5.4378
C18	4.4783	3.5479	4.0830	5.1636	5.3623	6.0859	6.6064	6.4539	5.7406	5.4378	4.4783	3.6672	2.4455	1.4462	2.3401	2.3401	1.4462		1.3773	2.4455	2.8235	4.0830	4.7920	5.7406	6.0148	6.6064	6.8945	7.0445	6.9086	6.6064	6.4539	6.6064	6.8945	6.6445	6.6445	6.0859	5.4378	4.5685	3.5479	3.5479	2.4455	2.8235	2.4455	3.6672	4.4783	4.0830	4.7920	4.5685	5.4378	6.0859	5.7406	6.0148	5.4378	5.7406	5.1636	4.0830	3.5479	4.4783	5.3623	6.0859
C19	5.4378	4.5685	4.7920	5.7406	6.0859	6.6445	6.8945	6.6064	6.0148	5.4378	4.4783	4.0830	2.8235	2.4455	3.5479	3.5479	2.4455	1.3773		1.4462	2.4455	3.6672	4.0830	5.1636	5.7406	6.4539	6.6064	6.9086	7.0445	6.8945	6.6064	6.4539	6.6064	6.0859	6.0859	5.3623	4.4783	3.5479	2.3401	2.3401	1.4462	2.4455	2.8235	4.0830	4.4783	3.6672	4.0830	3.5479	4.4783	5.3623	5.1636	5.7406	5.4378	6.0148	5.7406	4.7920	4.5685	5.4378	6.0859	6.6445
C20	5.7406	4.7920	4.5685	5.4378	6.0859	6.6445	6.6445	6.0859	5.4378	4.5685	3.5479	3.5479	2.4455	2.8235	4.0830	4.4783	3.6672	2.4455	1.4462		1.3773	2.4455	2.8235	4.0830	4.7920	5.7406	6.0148	6.6064	6.8945	7.0445	6.9086	6.6064	6.4539	5.7406	5.4378	4.4783	3.6672	2.4455	1.4462	2.3401	2.3401	3.5479	4.0830	5.1636	5.3623	4.4783	4.4783	3.5479	4.0830	5.1636	5.3623	6.0859	6.0859	6.6064	6.4539	5.7406	5.4378	6.0148	6.6064	6.8945
C21	5.1636	4.0830	3.5479	4.4783	5.3623	6.0859	6.0859	5.3623	4.4783	3.5479	2.3401	2.3401	1.4462	2.4455	3.6672	4.4783	4.0830	2.8235	2.4455	1.3773		1.4462	2.4455	3.6672	4.0830	5.1636	5.7406	6.4539	6.6064	6.9086	7.0445	6.8945	6.6064	6.0148	5.4378	4.4783	4.0830	2.8235	2.4455	3.5479	3.5479	4.5685	4.7920	5.7406	6.0859	5.4378	5.4378	4.5685	4.7920	5.7406	6.0859	6.6445	6.6445	6.8945	6.6064	6.0148	5.4378	5.7406	6.4539	6.6064
C22	5.3623	4.4783	3.5479	4.0830	5.1636	5.7406	5.4378	4.4783	3.6672	2.4455	1.4462	2.3401	2.3401	3.5479	4.4783	5.3623	5.1636	4.0830	3.6672	2.4455	1.4462		1.3773	2.4455	2.8235	4.0830	4.7920	5.7406	6.0148	6.6064	6.8945	6.6445	6.0859	5.4378	4.5685	3.5479	3.5479	2.4455	2.8235	4.0830	4.4783	5.4378	5.7406	6.4539	6.6064	6.0148	5.7406	4.7920	4.5685	5.4378	6.0859	6.6445	6.8945	7.0445	6.9086	6.6064	6.0859	6.0859	6.6064	6.4539
C23	6.0859	5.4378	4.5685	4.7920	5.7406	6.0148	5.4378	4.4783	4.0830	2.8235	2.4455	3.5479	3.5479	4.5685	5.4378	6.0859	5.7406	4.7920	4.0830	2.8235	2.4455	1.3773		1.4462	2.4455	3.6672	4.0830	5.1636	5.7406	6.4539	6.6064	6.0859	5.3623	4.4783	3.5479	2.3401	2.3401	1.4462	2.4455	3.6672	4.4783	5.4378	6.0148	6.6064	6.4539	5.7406	5.1636	4.0830	3.5479	4.4783	5.3623	6.0859	6.6064	6.9086	7.0445	6.8945	6.6445	6.6445	6.8945	6.6064
C24	6.0859	5.7406	4.7920	4.5685	5.4378	5.4378	4.5685	3.5479	3.5479	2.4455	2.8235	4.0830	4.4783	5.4378	6.0148	6.6064	6.4539	5.7406	5.1636	4.0830	3.6672	2.4455	1.4462		1.3773	2.4455	2.8235	4.0830	4.7920	5.7406	6.0148	5.4378	4.4783	3.6672	2.4455	1.4462	2.3401	2.3401	3.5479	4.4783	5.3623	6.0859	6.6064	6.9086	6.6064	6.0859	5.3623	4.4783	3.5479	4.0830	5.1636	5.7406	6.4539	6.6064	6.8945	7.0445	6.8945	6.6445	6.6445	6.0859
C25	5.3623	5.1636	4.0830	3.5479	4.4783	4.4783	3.5479	2.3401	2.3401	1.4462	2.4455	3.6672	4.4783	5.4378	5.7406	6.4539	6.6064	6.0148	5.7406	4.7920	4.0830	2.8235	2.4455	1.3773		1.4462	2.4455	3.6672	4.0830	5.1636	5.7406	5.4378	4.4783	4.0830	2.8235	2.4455	3.5479	3.5479	4.5685	5.4378	6.0859	6.6445	6.8945	7.0445	6.8945	6.6445	6.0859	5.4378	4.5685	4.7920	5.7406	6.0148	6.6064	6.4539	6.6064	6.9086	6.6064	6.0859	6.0859	5.3623
C26	5.1636	5.3623	4.4783	3.5479	4.0830	3.6672	2.4455	1.4462	2.3401	2.3401	3.5479	4.4783	5.3623	6.0859	6.0859	6.6064	6.9086	6.6064	6.4539	5.7406	5.1636	4.0830	3.6672	2.4455	1.4462		1.3773	2.4455	2.8235	4.0830	4.7920	4.5685	3.5479	3.5479	2.4455	2.8235	4.0830	4.4783	5.4378	6.0148	6.6064	6.8945	7.0445	6.8945	6.6445	6.6445	6.0859	5.7406	4.7920	4.5685	5.4378	5.4378	6.0859	5.7406	6.0148	6.6064	6.4539	5.7406	5.4378	4.4783
C27	5.7406	6.0859	5.4378	4.5685	4.7920	4.0830	2.8235	2.4455	3.5479	3.5479	4.5685	5.4378	6.0859	6.6445	6.6445	6.8945	7.0445	6.8945	6.6064	6.0148	5.7406	4.7920	4.0830	2.8235	2.4455	1.3773		1.4462	2.4455	3.6672	4.0830	3.5479	2.3401	2.3401	1.4462	2.4455	3.6672	4.4783	5.4378	5.7406	6.4539	6.6064	6.9086	6.6064	6.0859	6.0859	5.3623	5.1636	4.0830	3.5479	4.4783	4.4783	5.3623	5.1636	5.7406	6.4539	6.6064	6.0148	5.4378	4.4783
C28	5.4378	6.0859	5.7406	4.7920	4.5685	3.5479	2.4455	2.8235	4.0830	4.4783	5.4378	6.0148	6.6064	6.8945	6.6445	6.6445	6.8945	7.0445	6.9086	6.6064	6.4539	5.7406	5.1636	4.0830	3.6672	2.4455	1.4462		1.3773	2.4455	2.8235	2.4455	1.4462	2.3401	2.3401	3.5479	4.4783	5.3623	6.0859	6.0859	6.6064	6.4539	6.6064	6.0148	5.4378	5.7406	5.1636	5.3623	4.4783	3.5479	4.0830	3.6672	4.4783	4.0830	4.7920	5.7406	6.0859	5.4378	4.5685	3.5479
C29	4.4783	5.3623	5.1636	4.0830	3.5479	2.3401	1.4462	2.4455	3.6672	4.4783	5.4378	5.7406	6.4539	6.6064	6.0859	6.0859	6.6064	6.9086	7.0445	6.8945	6.6064	6.0148	5.7406	4.7920	4.0830	2.8235	2.4455	1.3773		1.4462	2.4455	2.8235	2.4455	3.5479	3.5479	4.5685	5.4378	6.0859	6.6445	6.6445	6.8945	6.6064	6.4539	5.7406	5.4378	6.0148	5.7406	6.0859	5.4378	4.5685	4.7920	4.0830	4.4783	3.6672	4.0830	5.1636	5.3623	4.4783	3.5479	2.3401
C30	4.0830	5.1636	5.3623	4.4783	3.5479	2.3401	2.3401	3.5479	4.4783	5.3623	6.0859	6.0859	6.6064	6.4539	5.7406	5.4378	6.0148	6.6064	6.8945	7.0445	6.9086	6.6064	6.4539	5.7406	5.1636	4.0830	3.6672	2.4455	1.4462		1.3773	2.4455	2.8235	4.0830	4.4783	5.4378	6.0148	6.6064	6.8945	6.6445	6.6445	6.0859	5.7406	4.7920	4.5685	5.4378	5.4378	6.0859	5.7406	4.7920	4.5685	3.5479	3.5479	2.4455	2.8235	4.0830	4.4783	3.6672	2.4455	1.4462
C31	4.7920	5.7406	6.0859	5.4378	4.5685	3.5479	3.5479	4.5685	5.4378	6.0859	6.6445	6.6445	6.8945	6.6064	6.0148	5.4378	5.7406	6.4539	6.6064	6.9086	7.0445	6.8945	6.6064	6.0148	5.7406	4.7920	4.0830	2.8235	2.4455	1.3773		1.4462	2.4455	3.6672	4.4783	5.4378	5.7406	6.4539	6.6064	6.0859	6.0859	5.3623	5.1636	4.0830	3.5479	4.4783	4.4783	5.3623	5.1636	4.0830	3.5479	2.3401	2.3401	1.4462	2.4455	3.6672	4.4783	4.0830	2.8235	2.4455
C32	5.7406	6.4539	6.6064	6.0148	5.4378	4.4783	4.0830	4.7920	5.7406	6.0859	6.6445	6.8945	7.0445	6.9086	6.6064	6.0859	6.0859	6.6064	6.4539	6.6064	6.8945	6.6445	6.0859	5.4378	5.4378	4.5685	3.5479	2.4455	2.8235	2.4455	1.4462		1.3773	2.4455	3.5479	4.5685	4.7920	5.7406	6.0148	5.4378	5.7406	5.1636	5.3623	4.4783	3.5479	4.0830	3.6672	4.4783	4.0830	2.8235	2.4455	1.4462	2.3401	2.3401	3.5479	4.4783	5.3623	5.1636	4.0830	3.6672
C33	6.0148	6.6064	6.4539	5.7406	5.4378	4.4783	3.6672	4.0830	5.1636	5.3623	6.0859	6.6064	6.9086	7.0445	6.8945	6.6445	6.6445	6.8945	6.6064	6.4539	6.6064	6.0859	5.3623	4.4783	4.4783	3.5479	2.3401	1.4462	2.4455	2.8235	2.4455	1.3773		1.4462	2.3401	3.5479	4.0830	5.1636	5.7406	5.4378	6.0148	5.7406	6.0859	5.4378	4.5685	4.7920	4.0830	4.4783	3.6672	2.4455	2.8235	2.4455	3.5479	3.5479	4.5685	5.4378	6.0859	5.7406	4.7920	4.0830
C34	6.6064	6.9086	6.6064	6.0859	6.0859	5.3623	4.4783	4.4783	5.3623	5.1636	5.7406	6.4539	6.6064	6.8945	7.0445	6.8945	6.6445	6.6445	6.0859	5.7406	6.0148	5.4378	4.4783	3.6672	4.0830	3.5479	2.3401	2.3401	3.5479	4.0830	3.6672	2.4455	1.4462		1.4462	2.4455	2.8235	4.0830	4.7920	4.5685	5.4378	5.4378	6.0859	5.7406	4.7920	4.5685	3.5479	3.5479	2.4455	1.3773	2.4455	2.8235	4.0830	4.4783	5.4378	6.0148	6.6064	6.4539	5.7406	5.1636
C35	6.4539	6.6064	6.0148	5.4378	5.7406	5.1636	4.0830	3.6672	4.4783	4.0830	4.7920	5.7406	6.0859	6.6445	6.8945	7.0445	6.8945	6.6445	6.0859	5.4378	5.4378	4.5685	3.5479	2.4455	2.8235	2.4455	1.4462	2.3401	3.5479	4.4783	4.4783	3.5479	2.3401	1.4462		1.3773	2.4455	3.5479	4.5685	4.7920	5.7406	6.0148	6.6064	6.4539	5.7406	5.4378	4.4783	4.0830	2.8235	2.4455	3.6672	4.0830	5.1636	5.3623	6.0859	6.6064	6.9086	6.6064	6.0859	5.3623
C36	6.6064	6.4539	5.7406	5.4378	6.0148	5.7406	4.7920	4.0830	4.4783	3.6672	4.0830	5.1636	5.3623	6.0859	6.6064	6.9086	6.6064	6.0859	5.3623	4.4783	4.4783	3.5479	2.3401	1.4462	2.4455	2.8235	2.4455	3.5479	4.5685	5.4378	5.4378	4.5685	3.5479	2.4455	1.3773		1.4462	2.3401	3.5479	4.0830	5.1636	5.7406	6.4539	6.6064	6.0148	5.4378	4.4783	3.6672	2.4455	2.8235	4.0830	4.7920	5.7406	6.0859	6.6445	6.8945	7.0445	6.8945	6.6445	6.0859
C37	6.9086	6.6064	6.0859	6.0859	6.6064	6.4539	5.7406	5.1636	5.3623	4.4783	4.4783	5.3623	5.1636	5.7406	6.4539	6.6064	6.0148	5.4378	4.4783	3.6672	4.0830	3.5479	2.3401	2.3401	3.5479	4.0830	3.6672	4.4783	5.4378	6.0148	5.7406	4.7920	4.0830	2.8235	2.4455	1.4462		1.4462	2.4455	2.8235	4.0830	4.7920	5.7406	6.0859	5.4378	4.5685	3.5479	2.4455	1.3773	2.4455	3.5479	4.5685	5.4378	6.0859	6.6445	6.6445	6.8945	7.0445	6.8945	6.6064
C38	6.6064	6.0148	5.4378	5.7406	6.4539	6.6064	6.0859	5.3623	5.1636	4.0830	3.6672	4.4783	4.0830	4.7920	5.7406	6.0859	5.4378	4.5685	3.5479	2.4455	2.8235	2.4455	1.4462	2.3401	3.5479	4.4783	4.4783	5.3623	6.0859	6.6064	6.4539	5.7406	5.1636	4.0830	3.5479	2.3401	1.4462		1.3773	2.4455	3.5479	4.5685	5.4378	6.0859	5.7406	4.7920	4.0830	2.8235	2.4455	3.6672	4.4783	5.4378	6.0148	6.6064	6.8945	6.6445	6.6445	6.8945	7.0445	6.9086
C39	6.4539	5.7406	5.4378	6.0148	6.6064	6.8945	6.6445	6.0859	5.7406	4.7920	4.0830	4.4783	3.6672	4.0830	5.1636	5.3623	4.4783	3.5479	2.3401	1.4462	2.4455	2.8235	2.4455	3.5479	4.5685	5.4378	5.4378	6.0859	6.6445	6.8945	6.6064	6.0148	5.7406	4.7920	4.5685	3.5479	2.4455	1.3773		1.4462	2.3401	3.5479	4.4783	5.3623	5.1636	4.0830	3.6672	2.4455	2.8235	4.0830	4.4783	5.4378	5.7406	6.4539	6.6064	6.0859	6.0859	6.6064	6.9086	7.0445
C40	6.6064	6.0859	6.0859	6.6064	6.9086	7.0445	6.8945	6.6064	6.4539	5.7406	5.1636	5.3623	4.4783	4.4783	5.3623	5.1636	4.0830	3.5479	2.3401	2.3401	3.5479	4.0830	3.6672	4.4783	5.4378	6.0148	5.7406	6.0859	6.6445	6.6445	6.0859	5.4378	5.4378	4.5685	4.7920	4.0830	2.8235	2.4455	1.4462		1.4462	2.4455	3.6672	4.4783	4.0830	2.8235	2.4455	1.3773	2.4455	3.5479	3.5479	4.5685	4.7920	5.7406	6.0148	5.4378	5.7406	6.4539	6.6064	6.8945
C41	6.0148	5.4378	5.7406	6.4539	6.6064	6.8945	7.0445	6.9086	6.6064	6.0859	5.3623	5.1636	4.0830	3.6672	4.4783	4.0830	2.8235	2.4455	1.4462	2.3401	3.5479	4.4783	4.4783	5.3623	6.0859	6.6064	6.4539	6.6064	6.8945	6.6445	6.0859	5.7406	6.0148	5.4378	5.7406	5.1636	4.0830	3.5479	2.3401	1.4462		1.3773	2.4455	3.5479	3.5479	2.4455	2.8235	2.4455	3.6672	4.4783	4.0830	4.7920	4.5685	5.4378	5.4378	4.5685	4.7920	5.7406	6.0859	6.6445
C42	5.7406	5.4378	6.0148	6.6064	6.4539	6.6064	6.9086	7.0445	6.8945	6.6445	6.0859	5.7406	4.7920	4.0830	4.4783	3.6672	2.4455	2.8235	2.4455	3.5479	4.5685	5.4378	5.4378	6.0859	6.6445	6.8945	6.6064	6.4539	6.6064	6.0859	5.3623	5.1636	5.7406	5.4378	6.0148	5.7406	4.7920	4.5685	3.5479	2.4455	1.3773		1.4462	2.3401	2.3401	1.4462	2.4455	2.8235	4.0830	4.4783	3.6672	4.0830	3.5479	4.4783	4.4783	3.5479	4.0830	5.1636	5.3623	6.0859
C43	4.7920	4.5685	5.4378	6.0859	5.7406	6.0148	6.6064	6.8945	6.6445	6.6445	6.0859	5.4378	4.5685	3.5479	3.5479	2.4455	1.3773	2.4455	2.8235	4.0830	4.7920	5.7406	6.0148	6.6064	6.8945	7.0445	6.9086	6.6064	6.4539	5.7406	5.1636	5.3623	6.0859	6.0859	6.6064	6.4539	5.7406	5.4378	4.4783	3.6672	2.4455	1.4462		1.4462	2.3401	2.3401	3.5479	4.0830	5.1636	5.3623	4.4783	4.4783	3.5479	4.0830	3.6672	2.4455	2.8235	4.0830	4.4783	5.4378
C44	4.5685	4.7920	5.7406	6.0859	5.4378	5.4378	6.0859	6.6445	6.6445	6.8945	6.6064	6.0148	5.4378	4.4783	4.0830	2.8235	2.4455	3.6672	4.0830	5.1636	5.7406	6.4539	6.6064	6.9086	7.0445	6.8945	6.6064	6.0148	5.7406	4.7920	4.0830	4.4783	5.4378	5.7406	6.4539	6.6064	6.0859	6.0859	5.3623	4.4783	3.5479	2.3401	1.4462		1.4462	2.3401	3.5479	4.4783	5.3623	5.1636	4.0830	3.6672	2.4455	2.8235	2.4455	1.3773	2.4455	3.5479	3.5479	4.5685
C45	5.4378	5.7406	6.4539	6.6064	6.0148	5.7406	6.0859	6.6445	6.8945	7.0445	6.9086	6.6064	6.0859	5.3623	5.1636	4.0830	3.5479	4.4783	4.4783	5.3623	6.0859	6.6064	6.4539	6.6064	6.8945	6.6445	6.0859	5.4378	5.4378	4.5685	3.5479	3.5479	4.5685	4.7920	5.7406	6.0148	5.4378	5.7406	5.1636	4.0830	3.5479	2.3401	2.3401	1.4462		1.4462	2.4455	3.6672	4.4783	4.0830	2.8235	2.4455	1.3773	2.4455	2.8235	2.4455	3.6672	4.4783	4.0830	4.7920
C46	6.0859	6.0859	6.6064	6.9086	6.6064	6.4539	6.6064	6.8945	7.0445	6.8945	6.6064	6.4539	5.7406	5.1636	5.3623	4.4783	3.5479	4.0830	3.6672	4.4783	5.4378	6.0148	5.7406	6.0859	6.6445	6.6445	6.0859	5.7406	6.0148	5.4378	4.4783	4.0830	4.7920	4.5685	5.4378	5.4378	4.5685	4.7920	4.0830	2.8235	2.4455	1.4462	2.3401	2.3401	1.4462		1.3773	2.4455	3.5479	3.5479	2.4455	2.8235	2.4455	3.6672	4.0830	3.5479	4.4783	5.3623	5.1636	5.7406
C47	6.6445	6.6445	6.8945	7.0445	6.8945	6.6064	6.4539	6.6064	6.9086	6.6064	6.4539	6.6064	6.0148	5.7406	6.0859	5.4378	4.5685	4.7920	4.0830	4.4783	5.4378	5.7406	5.1636	5.3623	6.0859	6.0859	5.3623	5.1636	5.7406	5.4378	4.4783	3.6672	4.0830	3.5479	4.4783	4.4783	3.5479	4.0830	3.6672	2.4455	2.8235	2.4455	3.5479	3.5479	2.4455	1.3773		1.4462	2.3401	2.3401	1.4462	2.4455	2.8235	4.0830	4.7920	4.5685	5.4378	6.0859	5.7406	6.0148
C48	6.8945	6.6445	6.6445	6.8945	7.0445	6.9086	6.6064	6.4539	6.6064	6.0148	5.7406	6.0859	5.4378	5.4378	6.0859	5.7406	4.7920	4.5685	3.5479	3.5479	4.5685	4.7920	4.0830	4.4783	5.4378	5.7406	5.1636	5.3623	6.0859	6.0859	5.3623	4.4783	4.4783	3.5479	4.0830	3.6672	2.4455	2.8235	2.4455	1.3773	2.4455	2.8235	4.0830	4.4783	3.6672	2.4455	1.4462		1.4462	2.3400	2.3401	3.5479	4.0830	5.1636	5.7406	5.4378	6.0148	6.6064	6.4539	6.6064
C49	7.0445	6.8945	6.6445	6.6445	6.8945	6.6064	6.0148	5.7406	6.0859	5.4378	5.4378	6.0859	5.7406	6.0148	6.6064	6.4539	5.7406	5.4378	4.4783	4.0830	4.7920	4.5685	3.5479	3.5479	4.5685	4.7920	4.0830	4.4783	5.4378	5.7406	5.1636	4.0830	3.6672	2.4455	2.8235	2.4455	1.3773	2.4455	2.8235	2.4455	3.6672	4.0830	5.1636	5.3623	4.4783	3.5479	2.3401	1.4462		1.4462	2.3400	3.5479	4.4783	5.3623	6.0859	6.0859	6.6064	6.9086	6.6064	6.4539
C50	6.8945	7.0445	6.8945	6.6445	6.6445	6.0859	5.4378	5.4378	6.0859	5.7406	6.0148	6.6064	6.4539	6.6064	6.9086	6.6064	6.0859	6.0859	5.3623	5.1636	5.7406	5.4378	4.4783	4.0830	4.7920	4.5685	3.5479	3.5479	4.5685	4.7920	4.0830	2.8235	2.4455	1.3773	2.4455	2.8235	2.4455	3.6672	4.0830	3.5479	4.4783	4.4783	5.3623	5.1636	4.0830	3.5479	2.3401	2.3400	1.4462		1.4462	2.4455	3.6672	4.4783	5.4378	5.7406	6.4539	6.6064	6.0148	5.7406
C51	6.6445	6.8945	7.0445	6.8945	6.6445	6.0859	5.7406	6.0148	6.6064	6.4539	6.6064	6.9086	6.6064	6.4539	6.6064	6.0148	5.4378	5.7406	5.1636	5.3623	6.0859	6.0859	5.3623	5.1636	5.7406	5.4378	4.4783	4.0830	4.7920	4.5685	3.5479	2.4455	2.8235	2.4455	3.6672	4.0830	3.5479	4.4783	4.4783	3.5479	4.0830	3.6672	4.4783	4.0830	2.8235	2.4455	1.4462	2.3401	2.3400	1.4462		1.3773	2.4455	3.5479	4.5685	4.7920	5.7406	6.0859	5.4378	5.4378
C52	6.0859	6.6064	6.9086	6.6064	6.0859	5.3623	5.1636	5.7406	6.4539	6.6064	6.8945	7.0445	6.8945	6.6064	6.4539	5.7406	5.4378	6.0148	5.7406	6.0859	6.6445	6.6445	6.0859	5.7406	6.0148	5.4378	4.4783	3.6672	4.0830	3.5479	2.3401	1.4462	2.4455	2.8235	4.0830	4.7920	4.5685	5.4378	5.4378	4.5685	4.7920	4.0830	4.4783	3.6672	2.4455	2.8235	2.4455	3.5479	3.5479	2.4455	1.3773		1.4462	2.3401	3.5479	4.0830	5.1636	5.3623	4.4783	4.4783
C53	5.4378	6.0148	6.6064	6.4539	5.7406	5.1636	5.3623	6.0859	6.6064	6.9086	7.0445	6.8945	6.6445	6.0859	5.7406	4.7920	4.5685	5.4378	5.4378	6.0859	6.6445	6.8945	6.6064	6.4539	6.6064	6.0859	5.3623	4.4783	4.4783	3.5479	2.3401	2.3401	3.5479	4.0830	5.1636	5.7406	5.4378	6.0148	5.7406	4.7920	4.5685	3.5479	3.5479	2.4455	1.3773	2.4455	2.8235	4.0830	4.4783	3.6672	2.4455	1.4462		1.4462	2.4455	2.8235	4.0830	4.4783	3.6672	4.0830
C54	4.5685	5.4378	6.0859	5.7406	4.7920	4.0830	4.4783	5.4378	6.0148	6.6064	6.8945	6.6445	6.6445	6.0859	5.4378	4.5685	4.7920	5.7406	6.0148	6.6064	6.8945	7.0445	6.9086	6.6064	6.4539	5.7406	5.1636	4.0830	3.6672	2.4455	1.4462	2.3401	3.5479	4.4783	5.3623	6.0859	6.0859	6.6064	6.4539	5.7406	5.4378	4.4783	4.0830	2.8235	2.4455	3.6672	4.0830	5.1636	5.3623	4.4783	3.5479	2.3401	1.4462		1.3773	2.4455	3.5479	3.5479	2.4455	2.8235
C55	3.5479	4.4783	5.3623	5.1636	4.0830	3.6672	4.4783	5.4378	5.7406	6.4539	6.6064	6.0859	6.0859	5.3623	4.4783	3.5479	4.0830	5.1636	5.7406	6.4539	6.6064	6.9086	7.0445	6.8945	6.6064	6.0148	5.7406	4.7920	4.0830	2.8235	2.4455	3.5479	4.5685	5.4378	6.0859	6.6445	6.6445	6.8945	6.6064	6.0148	5.4378	4.4783	3.6672	2.4455	2.8235	4.0830	4.7920	5.7406	6.0859	5.4378	4.5685	3.5479	2.4455	1.3773		1.4462	2.3401	2.3401	1.4462	2.4455
C56	3.5479	4.0830	5.1636	5.3623	4.4783	4.4783	5.3623	6.0859	6.0859	6.6064	6.4539	5.7406	5.4378	4.4783	3.6672	2.4455	2.8235	4.0830	4.7920	5.7406	6.0148	6.6064	6.8945	7.0445	6.9086	6.6064	6.4539	5.7406	5.1636	4.0830	3.6672	4.4783	5.4378	6.0148	6.6064	6.8945	6.6445	6.6445	6.0859	5.4378	4.5685	3.5479	2.4455	1.3773	2.4455	3.5479	4.5685	5.4378	6.0859	5.7406	4.7920	4.0830	2.8235	2.4455	1.4462		1.4462	2.3401	2.3401	3.5479
C57	2.4455	2.8235	4.0830	4.4783	3.6672	4.0830	5.1636	5.7406	5.4378	6.0148	5.7406	4.7920	4.5685	3.5479	2.4455	1.3773	2.4455	3.5479	4.5685	5.4378	5.4378	6.0859	6.6445	6.8945	6.6064	6.4539	6.6064	6.0859	5.3623	4.4783	4.4783	5.3623	6.0859	6.6064	6.9086	7.0445	6.8945	6.6445	6.0859	5.7406	4.7920	4.0830	2.8235	2.4455	3.6672	4.4783	5.4378	6.0148	6.6064	6.4539	5.7406	5.1636	4.0830	3.5479	2.3401	1.4462		1.4462	2.3401	3.5479
C58	1.3773	2.4455	3.5479	3.5479	2.4455	2.8235	4.0830	4.7920	4.5685	5.4378	5.4378	4.5685	4.7920	4.0830	2.8235	2.4455	3.6672	4.4783	5.4378	6.0148	5.7406	6.0859	6.6445	6.6445	6.0859	5.7406	6.0148	5.4378	4.4783	3.6672	4.0830	5.1636	5.7406	6.4539	6.6064	6.8945	7.0445	6.8945	6.6064	6.4539	5.7406	5.1636	4.0830	3.5479	4.4783	5.3623	6.0859	6.6064	6.9086	6.6064	6.0859	5.3623	4.4783	3.5479	2.3401	2.3401	1.4462		1.4462	2.4455
C59	2.4455	3.6672	4.4783	4.0830	2.8235	2.4455	3.5479	4.5685	4.7920	5.7406	6.0148	5.4378	5.7406	5.1636	4.0830	3.5479	4.4783	5.3623	6.0859	6.6064	6.4539	6.6064	6.8945	6.6445	6.0859	5.4378	5.4378	4.5685	3.5479	2.4455	2.8235	4.0830	4.7920	5.7406	6.0859	6.6445	6.8945	7.0445	6.9086	6.6064	6.0859	5.3623	4.4783	3.5479	4.0830	5.1636	5.7406	6.4539	6.6064	6.0148	5.4378	4.4783	3.6672	2.4455	1.4462	2.3401	2.3401	1.4462		1.3773
C60	2.8235	4.0830	4.4783	3.6672	2.4455	1.4462	2.3401	3.5479	4.0830	5.1636	5.7406	5.4378	6.0148	5.7406	4.7920	4.5685	5.4378	6.0859	6.6445	6.8945	6.6064	6.4539	6.6064	6.0859	5.3623	4.4783	4.4783	3.5479	2.3401	1.4462	2.4455	3.6672	4.0830	5.1636	5.3623	6.0859	6.6064	6.9086	7.0445	6.8945	6.6445	6.0859	5.4378	4.5685	4.7920	5.7406	6.0148	6.6064	6.4539	5.7406	5.4378	4.4783	4.0830	2.8235	2.4455	3.5479	3.5479	2.4455	1.3773

picture of Buckminsterfullerene state 1 conformation 1

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	108.000	C1	C2	C15	120.000
C1	C5	C4	108.000	C1	C5	C6	120.000
C1	C58	C57	120.000	C1	C58	C59	120.000
C2	C1	C5	108.000	C2	C1	C58	120.000
C2	C3	C4	108.000	C2	C3	C12	120.000
C2	C15	C14	120.000	C2	C15	C16	120.000
C3	C2	C15	120.000	C3	C4	C5	108.000
C3	C4	C9	120.000	C3	C12	C11	120.000
C3	C12	C13	120.000	C4	C3	C12	120.000
C4	C5	C6	120.000	C4	C9	C8	120.000
C4	C9	C10	120.000	C5	C1	C58	120.000
C5	C4	C9	120.000	C5	C6	C7	120.000
C5	C6	C60	120.000	C6	C7	C8	120.000
C6	C7	C29	108.000	C6	C60	C30	108.000
C6	C60	C59	120.000	C7	C6	C60	108.000
C7	C8	C9	120.000	C7	C8	C26	120.000
C7	C29	C28	120.000	C7	C29	C30	108.000
C8	C7	C29	120.000	C8	C9	C10	108.000
C8	C26	C25	108.000	C8	C26	C27	120.000
C9	C8	C26	108.000	C9	C10	C11	120.000
C9	C10	C25	108.000	C10	C11	C12	120.000
C10	C11	C22	120.000	C10	C25	C24	120.000
C10	C25	C26	108.000	C11	C10	C25	120.000
C11	C12	C13	108.000	C11	C22	C21	108.000
C11	C22	C23	120.000	C12	C11	C22	108.000
C12	C13	C14	120.000	C12	C13	C21	108.000
C13	C14	C15	120.000	C13	C14	C18	120.000
C13	C21	C20	120.000	C13	C21	C22	108.000
C14	C13	C21	120.000	C14	C15	C16	108.000
C14	C18	C17	108.000	C14	C18	C19	120.000
C15	C14	C18	108.000	C15	C16	C17	108.000
C15	C16	C57	120.000	C16	C17	C18	108.000
C16	C17	C43	120.000	C16	C57	C56	120.000
C16	C57	C58	120.000	C17	C16	C57	120.000
C17	C18	C19	120.000	C17	C43	C42	120.000
C17	C43	C44	120.000	C18	C17	C43	120.000
C18	C19	C20	120.000	C18	C19	C41	120.000
C19	C20	C21	120.000	C19	C20	C39	108.000
C19	C41	C40	108.000	C19	C41	C42	120.000
C20	C19	C41	108.000	C20	C21	C22	120.000
C20	C39	C38	120.000	C20	C39	C40	108.000
C21	C20	C39	120.000	C21	C22	C23	120.000
C22	C23	C24	120.000	C22	C23	C38	120.000
C23	C24	C25	120.000	C23	C24	C36	108.000
C23	C38	C37	108.000	C23	C38	C39	120.000
C24	C23	C38	108.000	C24	C25	C26	120.000
C24	C36	C35	120.000	C24	C36	C37	108.000
C25	C24	C36	120.000	C25	C26	C27	120.000
C26	C27	C28	120.000	C26	C27	C35	120.000
C27	C28	C29	120.000	C27	C28	C33	108.000
C27	C35	C34	108.000	C27	C35	C36	120.000
C28	C27	C35	108.000	C28	C29	C30	120.000
C28	C33	C32	120.000	C28	C33	C34	108.000
C29	C28	C33	120.000	C29	C30	C31	120.000
C29	C30	C60	108.000	C30	C31	C32	120.000
C30	C31	C54	120.000	C30	C60	C59	120.000
C31	C30	C60	120.000	C31	C32	C33	120.000
C31	C32	C52	108.000	C31	C54	C53	108.000
C31	C54	C55	120.000	C32	C31	C54	108.000
C32	C33	C34	120.000	C32	C52	C51	120.000
C32	C52	C53	108.000	C33	C32	C52	120.000
C33	C34	C35	108.000	C33	C34	C50	120.000
C34	C35	C36	120.000	C34	C50	C49	120.000
C34	C50	C51	120.000	C35	C34	C50	120.000
C35	C36	C37	120.000	C36	C37	C38	108.000
C36	C37	C49	120.000	C37	C38	C39	120.000
C37	C49	C48	120.000	C37	C49	C50	120.000
C38	C37	C49	120.000	C38	C39	C40	120.000
C39	C40	C41	108.000	C39	C40	C48	120.000
C40	C41	C42	120.000	C40	C48	C47	120.000
C40	C48	C49	120.000	C41	C40	C48	120.000
C41	C42	C43	120.000	C41	C42	C46	120.000
C42	C43	C44	108.000	C42	C46	C45	108.000
C42	C46	C47	120.000	C43	C42	C46	108.000
C43	C44	C45	108.000	C43	C44	C56	120.000
C44	C45	C46	108.000	C44	C45	C53	120.000
C44	C56	C55	120.000	C44	C56	C57	120.000
C45	C44	C56	120.000	C45	C46	C47	120.000
C45	C53	C52	120.000	C45	C53	C54	120.000
C46	C45	C53	120.000	C46	C47	C48	120.000
C46	C47	C51	120.000	C47	C48	C49	108.000
C47	C51	C50	108.000	C47	C51	C52	120.000
C48	C47	C51	108.000	C48	C49	C50	108.000
C49	C50	C51	108.000	C50	C51	C52	120.000
C51	C52	C53	120.000	C52	C53	C54	108.000
C53	C54	C55	120.000	C54	C55	C56	120.000
C54	C55	C59	120.000	C55	C56	C57	108.000
C55	C59	C58	108.000	C55	C59	C60	120.000
C56	C55	C59	108.000	C56	C57	C58	108.000
C57	C58	C59	108.000	C58	C59	C60	120.000

<r²>	4658.172
(<r²>)^1/2	68.251

All results from a given calculation for C₆₀ (Buckminsterfullerene)

using model chemistry: HF/Def2TZVPP

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 C60 (Buckminsterfullerene)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for C₆₀ (Buckminsterfullerene)