All results from a given calculation for C₆₀ (Buckminsterfullerene)

Energy calculated at PBEPBE/6-311G*

	hartrees
Energy at 0K	-2283.995629
Energy at 298.15K	-2283.993209
HF Energy	-2283.995629
Nuclear repulsion energy	8311.895865

The energy at 298.15K was derived from the energy at 0K and an integrated heat capacity that used the calculated vibrational frequencies.

Vibrational Frequencies calculated at PBEPBE/6-311G*

Mode Number	Symmetry	Frequency (cm-1)	Scaled Frequency (cm-1)	IR Intensities (km mol-1)	Raman Act (Å4/u)	Dep P	Dep U
1	Ag	1481	1465	0.00
2	Ag	488	483	0.00
3	Au	936	927	0.00
4	T1g	1273	1260	0.00
4	T1g	1273	1260	0.00
4	T1g	1273	1260	0.00
5	T1g	817	809	0.00
5	T1g	817	809	0.00
5	T1g	817	809	0.00
6	T1g	553	547	0.00
6	T1g	553	547	0.00
6	T1g	553	547	0.00
7	T1u	1440	1425	9.09
7	T1u	1440	1425	9.09
7	T1u	1440	1425	9.09
8	T1u	1193	1180	8.53
8	T1u	1193	1180	8.53
8	T1u	1193	1180	8.53
9	T1u	578	572	12.72
9	T1u	578	572	12.72
9	T1u	578	572	12.72
10	T1u	522	516	22.71
10	T1u	522	516	22.71
10	T1u	522	516	22.71
11	T2g	1333	1319	0.00
11	T2g	1333	1319	0.00
11	T2g	1333	1319	0.00
12	T2g	784	776	0.00
12	T2g	784	776	0.00
12	T2g	784	776	0.00
13	T2g	694	687	0.00
13	T2g	694	687	0.00
13	T2g	694	687	0.00
14	T2g	549	544	0.00
14	T2g	549	544	0.00
14	T2g	549	544	0.00
15	T2u	1524	1509	0.00
15	T2u	1524	1509	0.00
15	T2u	1524	1509	0.00
16	T2u	1192	1179	0.00
16	T2u	1192	1179	0.00
16	T2u	1192	1179	0.00
17	T2u	970	959	0.00
17	T2u	970	959	0.00
17	T2u	970	959	0.00
18	T2u	700	693	0.00
18	T2u	700	693	0.00
81	T2u	700	693	0.00
19	T2u	338	334	0.00
19	T2u	338	334	0.00
19	T2u	338	334	0.00
20	Gg	1496	1480	0.00
20	Gg	1496	1480	0.00
20	Gg	1496	1480	0.00
20	Gg	1496	1480	0.00
21	Gg	1303	1290	0.00
21	Gg	1303	1290	0.00
21	Gg	1303	1290	0.00
21	Gg	1303	1290	0.00
22	Gg	1088	1076	0.00
22	Gg	1088	1076	0.00
22	Gg	1088	1076	0.00
22	Gg	1088	1076	0.00
23	Gg	725	717	0.00
23	Gg	725	717	0.00
23	Gg	725	717	0.00
23	Gg	725	717	0.00
24	Gg	564	558	0.00
24	Gg	564	558	0.00
24	Gg	564	558	0.00
24	Gg	564	558	0.00
25	Gg	476	471	0.00
25	Gg	476	471	0.00
25	Gg	476	471	0.00
25	Gg	476	471	0.00
26	Gu	1430	1415	0.00
26	Gu	1430	1415	0.00
26	Gu	1430	1415	0.00
26	Gu	1430	1415	0.00
27	Gu	1306	1293	0.00
27	Gu	1306	1293	0.00
27	Gu	1306	1293	0.00
27	Gu	1306	1293	0.00
28	Gu	962	952	0.00
28	Gu	962	952	0.00
28	Gu	962	952	0.00
28	Gu	962	952	0.00
29	Gu	745	737	0.00
29	Gu	745	737	0.00
29	Gu	745	737	0.00
29	Gu	745	737	0.00
30	Gu	713	705	0.00
30	Gu	713	705	0.00
30	Gu	713	705	0.00
30	Gu	713	705	0.00
31	Gu	347	343	0.00
31	Gu	347	343	0.00
31	Gu	347	343	0.00
31	Gu	347	343	0.00
32	Hg	1566	1549	0.00
32	Hg	1566	1549	0.00
32	Hg	1566	1549	0.00
32	Hg	1566	1549	0.00
32	Hg	1566	1549	0.00
33	Hg	1428	1413	0.00
33	Hg	1428	1413	0.00
33	Hg	1428	1413	0.00
33	Hg	1428	1413	0.00
33	Hg	1428	1413	0.00
34	Hg	1251	1238	0.00
34	Hg	1251	1238	0.00
34	Hg	1251	1238	0.00
34	Hg	1251	1238	0.00
34	Hg	1251	1238	0.00
35	Hg	1103	1092	0.00
35	Hg	1103	1092	0.00
35	Hg	1103	1092	0.00
35	Hg	1103	1092	0.00
35	Hg	1103	1092	0.00
36	Hg	773	765	0.00
36	Hg	773	765	0.00
36	Hg	773	765	0.00
36	Hg	773	765	0.00
36	Hg	773	765	0.00
37	Hg	695	688	0.00
37	Hg	695	688	0.00
37	Hg	695	688	0.00
37	Hg	695	688	0.00
37	Hg	695	688	0.00
38	Hg	425	421	0.00
38	Hg	425	421	0.00
38	Hg	425	421	0.00
38	Hg	425	421	0.00
38	Hg	425	421	0.00
39	Hg	259	256	0.00
39	Hg	259	256	0.00
39	Hg	259	256	0.00
39	Hg	259	256	0.00
39	Hg	259	256	0.00
40	Hu	1556	1539	0.00
40	Hu	1556	1539	0.00
40	Hu	1556	1539	0.00
40	Hu	1556	1539	0.00
40	Hu	1556	1539	0.00
41	Hu	1337	1323	0.00
41	Hu	1337	1323	0.00
41	Hu	1337	1323	0.00
41	Hu	1337	1323	0.00
41	Hu	1337	1323	0.00
42	Hu	1213	1201	0.00
42	Hu	1213	1201	0.00
42	Hu	1213	1201	0.00
42	Hu	1213	1201	0.00
42	Hu	1213	1201	0.00
43	Hu	716	708	0.00
43	Hu	716	708	0.00
43	Hu	716	708	0.00
43	Hu	716	708	0.00
43	Hu	716	708	0.00
44	Hu	659	652	0.00
44	Hu	659	652	0.00
44	Hu	659	652	0.00
44	Hu	659	652	0.00
44	Hu	659	652	0.00
45	Hu	525	520	0.00
45	Hu	525	520	0.00
45	Hu	525	520	0.00
45	Hu	525	520	0.00
45	Hu	525	520	0.00
46	Hu	399	394	0.00
46	Hu	399	394	0.00
46	Hu	399	394	0.00
46	Hu	399	394	0.00
46	Hu	399	394	0.00

Unscaled Zero Point Vibrational Energy (zpe) 80206.6 cm^-1
Scaled (by 0.9896) Zero Point Vibrational Energy (zpe) 79372.5 cm^-1
See section III.C.1 List or set vibrational scaling factors to change the scale factors used here.
See section III.C.2 Calculate a vibrational scaling factor for a given set of molecules to determine the least squares best scaling factor.

Rotational Constants (cm^-1) from geometry optimized at PBEPBE/6-311G*

A	B	C
0.00278	0.00278	0.00278

See section I.F.4 to change rotational constant units

Geometric Data calculated at PBEPBE/6-311G*

Point Group is I_h

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.237	3.334
C2	-1.176	0.382	3.334
C3	-0.727	-1.001	3.334
C4	0.727	-1.001	3.334
C5	1.176	0.382	3.334
C6	2.310	0.751	2.598
C7	3.037	-0.250	1.833
C8	2.604	-1.583	1.833
C9	1.428	-1.965	2.598
C10	0.701	-2.966	1.833
C11	-0.701	-2.966	1.833
C12	-1.428	-1.965	2.598
C13	-2.604	-1.583	1.833
C14	-3.037	-0.250	1.833
C15	-2.310	0.751	2.598
C16	-2.310	1.988	1.833
C17	-3.037	1.751	0.596
C18	-3.487	0.368	0.596
C19	-3.487	-0.368	-0.596
C20	-3.037	-1.751	-0.596
C21	-2.604	-2.347	0.596
C22	-1.428	-3.202	0.596
C23	-0.727	-3.430	-0.596
C24	0.727	-3.430	-0.596
C25	1.428	-3.202	0.596
C26	2.604	-2.347	0.596
C27	3.037	-1.751	-0.596
C28	3.487	-0.368	-0.596
C29	3.487	0.368	0.596
C30	3.037	1.751	0.596
C31	2.604	2.347	-0.596
C32	2.604	1.583	-1.833
C33	3.037	0.250	-1.833
C34	2.310	-0.751	-2.598
C35	2.310	-1.988	-1.833
C36	1.176	-2.811	-1.833
C37	0.000	-2.429	-2.598
C38	-1.176	-2.811	-1.833
C39	-2.310	-1.988	-1.833
C40	-2.310	-0.751	-2.598
C41	-3.037	0.250	-1.833
C42	-2.604	1.583	-1.833
C43	-2.604	2.347	-0.596
C44	-1.428	3.202	-0.596
C45	-0.701	2.966	-1.833
C46	-1.428	1.965	-2.598
C47	-0.727	1.001	-3.334
C48	-1.176	-0.382	-3.334
C49	0.000	-1.237	-3.334
C50	1.176	-0.382	-3.334
C51	0.727	1.001	-3.334
C52	1.428	1.965	-2.598
C53	0.701	2.966	-1.833
C54	1.428	3.202	-0.596
C55	0.727	3.430	0.596
C56	-0.727	3.430	0.596
C57	-1.176	2.811	1.833
C58	0.000	2.429	2.598
C59	1.176	2.811	1.833
C60	2.310	1.988	1.833

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		1.4542	2.3529	2.3529	1.4542	2.4731	3.7000	4.1216	3.5826	4.5176	4.5176	3.5826	4.1216	3.7000	2.4731	2.8555	4.1216	4.5176	5.4937	5.7968	5.2084	5.4076	6.1445	6.1445	5.4076	5.2084	5.7968	5.4937	4.5176	4.1216	4.8438	5.7968	6.0745	6.6689	6.5143	6.6689	6.9733	6.6689	6.5143	6.6689	6.0745	5.7968	4.8438	4.6204	5.4937	6.1445	6.7122	6.9624	7.1127	6.9624	6.7122	6.1445	5.4937	4.6204	3.5826	3.5826	2.4731	1.4014	2.4731	2.8555
C2	1.4542		1.4542	2.3529	2.3529	3.5826	4.5176	4.5176	3.5826	4.1216	3.7000	2.4731	2.8555	2.4731	1.4014	2.4731	3.5826	3.5826	4.6204	4.8438	4.1216	4.5176	5.4937	5.7968	5.2084	5.4076	6.1445	6.1445	5.4076	5.2084	5.7968	6.5143	6.6689	6.9733	6.6689	6.5143	6.6689	6.0745	5.7968	6.1445	5.4937	5.4937	4.6204	4.8438	5.7968	6.1445	6.7122	6.7122	6.9624	7.1127	6.9624	6.6689	6.0745	5.4937	4.5176	4.1216	2.8555	2.4731	3.7000	4.1216
C3	2.3529	1.4542		1.4542	2.3529	3.5826	4.1216	3.7000	2.4731	2.8555	2.4731	1.4014	2.4731	2.8555	2.4731	3.7000	4.5176	4.1216	4.8438	4.6204	3.5826	3.5826	4.6204	4.8438	4.1216	4.5176	5.4937	5.7968	5.2084	5.4076	6.1445	6.6689	6.5143	6.6689	6.0745	5.7968	6.1445	5.4937	5.4937	6.1445	5.7968	6.0745	5.4937	5.7968	6.5143	6.6689	6.9624	6.7122	6.7122	6.9624	7.1127	6.9733	6.6689	6.1445	5.4076	5.2084	4.1216	3.5826	4.5176	4.5176
C4	2.3529	2.3529	1.4542		1.4542	2.4731	2.8555	2.4731	1.4014	2.4731	2.8555	2.4731	3.7000	4.1216	3.5826	4.5176	5.4076	5.2084	5.7968	5.4937	4.5176	4.1216	4.8438	4.6204	3.5826	3.5826	4.6204	4.8438	4.1216	4.5176	5.4937	6.0745	5.7968	6.1445	5.4937	5.4937	6.1445	5.7968	6.0745	6.6689	6.5143	6.6689	6.1445	6.1445	6.6689	6.9733	7.1127	6.9624	6.7122	6.7122	6.9624	6.6689	6.5143	5.7968	5.2084	5.4076	4.5176	3.5826	4.1216	3.7000
C5	1.4542	2.3529	2.3529	1.4542		1.4014	2.4731	2.8555	2.4731	3.7000	4.1216	3.5826	4.5176	4.5176	3.5826	4.1216	5.2084	5.4076	6.1445	6.1445	5.4076	5.2084	5.7968	5.4937	4.5176	4.1216	4.8438	4.6204	3.5826	3.5826	4.6204	5.4937	5.4937	6.1445	5.7968	6.0745	6.6689	6.5143	6.6689	6.9733	6.6689	6.5143	5.7968	5.4937	6.0745	6.6689	6.9624	7.1127	6.9624	6.7122	6.7122	6.1445	5.7968	4.8438	4.1216	4.5176	3.7000	2.4731	2.8555	2.4731
C6	2.4731	3.5826	3.5826	2.4731	1.4014		1.4542	2.4731	2.8555	4.1216	4.8438	4.6204	5.4937	5.4937	4.6204	4.8438	5.7968	6.1445	6.7122	6.7122	6.1445	5.7968	6.0745	5.4937	4.5176	3.7000	4.1216	3.5826	2.3529	2.3529	3.5826	4.5176	4.5176	5.4076	5.2084	5.7968	6.5143	6.6689	6.9624	7.1127	6.9624	6.6689	6.0745	5.4937	5.7968	6.5143	6.6689	6.9733	6.6689	6.1445	6.1445	5.4076	5.2084	4.1216	3.7000	4.5176	4.1216	2.8555	2.4731	1.4542
C7	3.7000	4.5176	4.1216	2.8555	2.4731	1.4542		1.4014	2.4731	3.5826	4.6204	4.8438	5.7968	6.0745	5.4937	5.7968	6.5143	6.6689	6.9624	6.7122	6.1445	5.4937	5.4937	4.6204	3.5826	2.4731	2.8555	2.4731	1.4542	2.3529	3.5826	4.1216	3.7000	4.5176	4.1216	4.8438	5.7968	6.1445	6.7122	6.9624	7.1127	6.9733	6.6689	6.1445	6.1445	6.6689	6.5143	6.6689	6.0745	5.4937	5.7968	5.2084	5.4076	4.5176	4.5176	5.4076	5.2084	4.1216	3.5826	2.3529
C8	4.1216	4.5176	3.7000	2.4731	2.8555	2.4731	1.4014		1.4542	2.3529	3.5826	4.1216	5.2085	5.7968	5.4937	6.0745	6.6689	6.5143	6.6689	6.1445	5.4076	4.5176	4.5176	3.5826	2.3529	1.4542	2.4731	2.8555	2.4731	3.5826	4.6204	4.8438	4.1216	4.5176	3.7000	4.1216	5.2084	5.4076	6.1445	6.6689	6.9733	7.1127	6.9624	6.7122	6.7122	6.9624	6.6689	6.5143	5.7968	5.4937	6.0745	5.7968	6.1445	5.4937	5.4937	6.1445	5.7968	4.8438	4.6204	3.5826
C9	3.5826	3.5826	2.4731	1.4014	2.4731	2.8555	2.4731	1.4542		1.4542	2.4731	2.8555	4.1216	4.8438	4.6204	5.4937	6.1445	5.7968	6.0745	5.4937	4.5176	3.7000	4.1216	3.5826	2.3529	2.3529	3.5826	4.1216	3.7000	4.5176	5.4937	5.7968	5.2084	5.4076	4.5176	4.5176	5.4076	5.2084	5.7968	6.5143	6.6689	6.9624	6.7122	6.7122	6.9624	7.1127	6.9733	6.6689	6.1445	6.1445	6.6689	6.5143	6.6689	6.0745	5.7968	6.1445	5.4937	4.6204	4.8438	4.1216
C10	4.5176	4.1216	2.8555	2.4731	3.7000	4.1216	3.5826	2.3529	1.4542		1.4014	2.4731	3.5826	4.6204	4.8438	5.7968	6.1445	5.4937	5.4937	4.6204	3.5826	2.4731	2.8555	2.4731	1.4542	2.3529	3.5826	4.5176	4.5176	5.4076	6.1445	6.1445	5.4076	5.2084	4.1216	3.7000	4.5176	4.1216	4.8438	5.7968	6.1445	6.7122	6.7122	6.9624	7.1127	6.9624	6.6689	6.0745	5.4937	5.7968	6.5143	6.6689	6.9733	6.6689	6.5143	6.6689	6.0745	5.4937	5.7968	5.2084
C11	4.5176	3.7000	2.4731	2.8555	4.1216	4.8438	4.6204	3.5826	2.4731	1.4014		1.4542	2.3529	3.5826	4.1216	5.2084	5.4076	4.5176	4.5176	3.5826	2.3529	1.4542	2.4731	2.8555	2.4731	3.5826	4.6204	5.4937	5.4937	6.1445	6.7122	6.7122	6.1445	5.7968	4.8438	4.1216	4.5176	3.7000	4.1216	5.2084	5.4076	6.1445	6.1445	6.6689	6.9733	6.6689	6.5143	5.7968	5.4937	6.0745	6.6689	6.9624	7.1127	6.9624	6.6689	6.5143	5.7968	5.4937	6.0745	5.7968
C12	3.5826	2.4731	1.4014	2.4731	3.5826	4.6204	4.8438	4.1216	2.8555	2.4731	1.4542		1.4542	2.4731	2.8555	4.1216	4.5176	3.7000	4.1216	3.5826	2.3529	2.3529	3.5826	4.1216	3.7000	4.5176	5.4937	6.0745	5.7968	6.1445	6.7122	6.9624	6.6689	6.5143	5.7968	5.2084	5.4076	4.5176	4.5176	5.4076	5.2084	5.7968	5.4937	6.0745	6.6689	6.5143	6.6689	6.1445	6.1445	6.6689	6.9733	7.1127	6.9624	6.7122	6.1445	5.7968	4.8438	4.6204	5.4937	5.4937
C13	4.1216	2.8555	2.4731	3.7000	4.5176	5.4937	5.7968	5.2085	4.1216	3.5826	2.3529	1.4542		1.4014	2.4731	3.5826	3.5826	2.4731	2.8555	2.4731	1.4542	2.3529	3.5826	4.5176	4.5176	5.4076	6.1445	6.6689	6.5143	6.6689	6.9624	7.1127	6.9733	6.6689	6.1445	5.4076	5.2084	4.1216	3.7000	4.5176	4.1216	4.8438	4.6204	5.4937	6.1445	5.7968	6.0745	5.4937	5.7968	6.5143	6.6689	6.9624	6.7122	6.7122	6.1445	5.4937	4.6204	4.8438	5.7968	6.0745
C14	3.7000	2.4731	2.8555	4.1216	4.5176	5.4937	6.0745	5.7968	4.8438	4.6204	3.5826	2.4731	1.4014		1.4542	2.3529	2.3529	1.4542	2.4731	2.8555	2.4731	3.5826	4.6204	5.4937	5.4937	6.1445	6.7122	6.9624	6.6689	6.5143	6.6689	6.9733	7.1127	6.9624	6.7122	6.1445	5.7968	4.8438	4.1216	4.5176	3.7000	4.1216	3.5826	4.5176	5.4076	5.2084	5.7968	5.4937	6.0745	6.6689	6.5143	6.6689	6.1445	6.1445	5.4076	4.5176	3.5826	4.1216	5.2084	5.7968
C15	2.4731	1.4014	2.4731	3.5826	3.5826	4.6204	5.4937	5.4937	4.6204	4.8438	4.1216	2.8555	2.4731	1.4542		1.4542	2.3529	2.3529	3.5826	4.1216	3.7000	4.5176	5.4937	6.0745	5.7968	6.1445	6.7122	6.7122	6.1445	5.7968	6.0745	6.6689	6.9624	7.1127	6.9624	6.6689	6.5143	5.7968	5.2084	5.4076	4.5176	4.5176	3.5826	4.1216	5.2084	5.4076	6.1445	6.1445	6.6689	6.9733	6.6689	6.5143	5.7968	5.4937	4.5176	3.7000	2.4731	2.8555	4.1216	4.8438
C16	2.8555	2.4731	3.7000	4.5176	4.1216	4.8438	5.7968	6.0745	5.4937	5.7968	5.2084	4.1216	3.5826	2.3529	1.4542		1.4542	2.3529	3.5826	4.5176	4.5176	5.4076	6.1445	6.6689	6.5143	6.6689	6.9624	6.7122	6.1445	5.4937	5.4937	6.1445	6.7122	6.9624	7.1127	6.9733	6.6689	6.1445	5.4076	5.2084	4.1216	3.7000	2.4731	2.8555	4.1216	4.5176	5.4937	5.7968	6.5143	6.6689	6.0745	5.7968	4.8438	4.6204	3.5826	2.4731	1.4014	2.4731	3.5826	4.6204
C17	4.1216	3.5826	4.5176	5.4076	5.2084	5.7968	6.5143	6.6689	6.1445	6.1445	5.4076	4.5176	3.5826	2.3529	2.3529	1.4542		1.4542	2.4731	3.7000	4.1216	5.2084	5.7968	6.5143	6.6689	6.9733	7.1127	6.9624	6.6689	6.0745	5.7968	6.1445	6.7122	6.7122	6.9624	6.6689	6.0745	5.4937	4.5176	4.1216	2.8555	2.4731	1.4014	2.4731	3.5826	3.5826	4.6204	4.8438	5.7968	6.1445	5.4937	5.4937	4.6204	4.8438	4.1216	2.8555	2.4731	3.7000	4.5176	5.4937
C18	4.5176	3.5826	4.1216	5.2084	5.4076	6.1445	6.6689	6.5143	5.7968	5.4937	4.5176	3.7000	2.4731	1.4542	2.3529	2.3529	1.4542		1.4014	2.4731	2.8555	4.1216	4.8438	5.7968	6.0745	6.6689	6.9624	7.1127	6.9733	6.6689	6.5143	6.6689	6.9624	6.7122	6.7122	6.1445	5.4937	4.6204	3.5826	3.5826	2.4731	2.8555	2.4731	3.7000	4.5176	4.1216	4.8438	4.6204	5.4937	6.1445	5.7968	6.0745	5.4937	5.7968	5.2084	4.1216	3.5826	4.5176	5.4076	6.1445
C19	5.4937	4.6204	4.8438	5.7968	6.1445	6.7122	6.9624	6.6689	6.0745	5.4937	4.5176	4.1216	2.8555	2.4731	3.5826	3.5826	2.4731	1.4014		1.4542	2.4731	3.7000	4.1216	5.2084	5.7968	6.5143	6.6689	6.9733	7.1127	6.9624	6.6689	6.5143	6.6689	6.1445	6.1445	5.4076	4.5176	3.5826	2.3529	2.3529	1.4542	2.4731	2.8555	4.1216	4.5176	3.7000	4.1216	3.5826	4.5176	5.4076	5.2084	5.7968	5.4937	6.0745	5.7968	4.8438	4.6204	5.4937	6.1445	6.7122
C20	5.7968	4.8438	4.6204	5.4937	6.1445	6.7122	6.7122	6.1445	5.4937	4.6204	3.5826	3.5826	2.4731	2.8555	4.1216	4.5176	3.7000	2.4731	1.4542		1.4014	2.4731	2.8555	4.1216	4.8438	5.7968	6.0745	6.6689	6.9624	7.1127	6.9733	6.6689	6.5143	5.7968	5.4937	4.5176	3.7000	2.4731	1.4542	2.3529	2.3529	3.5826	4.1216	5.2084	5.4076	4.5176	4.5176	3.5826	4.1216	5.2084	5.4076	6.1445	6.1445	6.6689	6.5143	5.7968	5.4937	6.0745	6.6689	6.9624
C21	5.2084	4.1216	3.5826	4.5176	5.4076	6.1445	6.1445	5.4076	4.5176	3.5826	2.3529	2.3529	1.4542	2.4731	3.7000	4.5176	4.1216	2.8555	2.4731	1.4014		1.4542	2.4731	3.7000	4.1216	5.2085	5.7968	6.5143	6.6689	6.9733	7.1127	6.9624	6.6689	6.0745	5.4937	4.5176	4.1216	2.8555	2.4731	3.5826	3.5826	4.6204	4.8438	5.7968	6.1445	5.4937	5.4937	4.6204	4.8438	5.7968	6.1445	6.7122	6.7122	6.9624	6.6689	6.0745	5.4937	5.7968	6.5143	6.6689
C22	5.4076	4.5176	3.5826	4.1216	5.2084	5.7968	5.4937	4.5176	3.7000	2.4731	1.4542	2.3529	2.3529	3.5826	4.5176	5.4076	5.2084	4.1216	3.7000	2.4731	1.4542		1.4014	2.4731	2.8555	4.1216	4.8438	5.7968	6.0745	6.6689	6.9624	6.7122	6.1445	5.4937	4.6204	3.5826	3.5826	2.4731	2.8555	4.1216	4.5176	5.4937	5.7968	6.5143	6.6689	6.0745	5.7968	4.8438	4.6204	5.4937	6.1445	6.7122	6.9624	7.1127	6.9733	6.6689	6.1445	6.1445	6.6689	6.5143
C23	6.1445	5.4937	4.6204	4.8438	5.7968	6.0745	5.4937	4.5176	4.1216	2.8555	2.4731	3.5826	3.5826	4.6204	5.4937	6.1445	5.7968	4.8438	4.1216	2.8555	2.4731	1.4014		1.4542	2.4731	3.7000	4.1216	5.2084	5.7968	6.5143	6.6689	6.1445	5.4076	4.5176	3.5826	2.3529	2.3529	1.4542	2.4731	3.7000	4.5176	5.4937	6.0745	6.6689	6.5143	5.7968	5.2084	4.1216	3.5826	4.5176	5.4076	6.1445	6.6689	6.9733	7.1127	6.9624	6.7122	6.7122	6.9624	6.6689
C24	6.1445	5.7968	4.8438	4.6204	5.4937	5.4937	4.6204	3.5826	3.5826	2.4731	2.8555	4.1216	4.5176	5.4937	6.0745	6.6689	6.5143	5.7968	5.2084	4.1216	3.7000	2.4731	1.4542		1.4014	2.4731	2.8555	4.1216	4.8438	5.7968	6.0745	5.4937	4.5176	3.7000	2.4731	1.4542	2.3529	2.3529	3.5826	4.5176	5.4076	6.1445	6.6689	6.9733	6.6689	6.1445	5.4076	4.5176	3.5826	4.1216	5.2084	5.7968	6.5143	6.6689	6.9624	7.1127	6.9624	6.7122	6.7122	6.1445
C25	5.4076	5.2084	4.1216	3.5826	4.5176	4.5176	3.5826	2.3529	2.3529	1.4542	2.4731	3.7000	4.5176	5.4937	5.7968	6.5143	6.6689	6.0745	5.7968	4.8438	4.1216	2.8555	2.4731	1.4014		1.4542	2.4731	3.7000	4.1216	5.2084	5.7968	5.4937	4.5176	4.1216	2.8555	2.4731	3.5826	3.5826	4.6204	5.4937	6.1445	6.7122	6.9624	7.1127	6.9624	6.7122	6.1445	5.4937	4.6204	4.8438	5.7968	6.0745	6.6689	6.5143	6.6689	6.9733	6.6689	6.1445	6.1445	5.4076
C26	5.2084	5.4076	4.5176	3.5826	4.1216	3.7000	2.4731	1.4542	2.3529	2.3529	3.5826	4.5176	5.4076	6.1445	6.1445	6.6689	6.9733	6.6689	6.5143	5.7968	5.2085	4.1216	3.7000	2.4731	1.4542		1.4014	2.4731	2.8555	4.1216	4.8438	4.6204	3.5826	3.5826	2.4731	2.8555	4.1216	4.5176	5.4937	6.0745	6.6689	6.9624	7.1127	6.9624	6.7122	6.7122	6.1445	5.7968	4.8438	4.6204	5.4937	5.4937	6.1445	5.7968	6.0745	6.6689	6.5143	5.7968	5.4937	4.5176
C27	5.7968	6.1445	5.4937	4.6204	4.8438	4.1216	2.8555	2.4731	3.5826	3.5826	4.6204	5.4937	6.1445	6.7122	6.7122	6.9624	7.1127	6.9624	6.6689	6.0745	5.7968	4.8438	4.1216	2.8555	2.4731	1.4014		1.4542	2.4731	3.7000	4.1216	3.5826	2.3529	2.3529	1.4542	2.4731	3.7000	4.5176	5.4937	5.7968	6.5143	6.6689	6.9733	6.6689	6.1445	6.1445	5.4076	5.2084	4.1216	3.5826	4.5176	4.5176	5.4076	5.2084	5.7968	6.5143	6.6689	6.0745	5.4937	4.5176
C28	5.4937	6.1445	5.7968	4.8438	4.6204	3.5826	2.4731	2.8555	4.1216	4.5176	5.4937	6.0745	6.6689	6.9624	6.7122	6.7122	6.9624	7.1127	6.9733	6.6689	6.5143	5.7968	5.2084	4.1216	3.7000	2.4731	1.4542		1.4014	2.4731	2.8555	2.4731	1.4542	2.3529	2.3529	3.5826	4.5176	5.4076	6.1445	6.1445	6.6689	6.5143	6.6689	6.0745	5.4937	5.7968	5.2084	5.4076	4.5176	3.5826	4.1216	3.7000	4.5176	4.1216	4.8438	5.7968	6.1445	5.4937	4.6204	3.5826
C29	4.5176	5.4076	5.2084	4.1216	3.5826	2.3529	1.4542	2.4731	3.7000	4.5176	5.4937	5.7968	6.5143	6.6689	6.1445	6.1445	6.6689	6.9733	7.1127	6.9624	6.6689	6.0745	5.7968	4.8438	4.1216	2.8555	2.4731	1.4014		1.4542	2.4731	2.8555	2.4731	3.5826	3.5826	4.6204	5.4937	6.1445	6.7122	6.7122	6.9624	6.6689	6.5143	5.7968	5.4937	6.0745	5.7968	6.1445	5.4937	4.6204	4.8438	4.1216	4.5176	3.7000	4.1216	5.2084	5.4076	4.5176	3.5826	2.3529
C30	4.1216	5.2084	5.4076	4.5176	3.5826	2.3529	2.3529	3.5826	4.5176	5.4076	6.1445	6.1445	6.6689	6.5143	5.7968	5.4937	6.0745	6.6689	6.9624	7.1127	6.9733	6.6689	6.5143	5.7968	5.2084	4.1216	3.7000	2.4731	1.4542		1.4014	2.4731	2.8555	4.1216	4.5176	5.4937	6.0745	6.6689	6.9624	6.7122	6.7122	6.1445	5.7968	4.8438	4.6204	5.4937	5.4937	6.1445	5.7968	4.8438	4.6204	3.5826	3.5826	2.4731	2.8555	4.1216	4.5176	3.7000	2.4731	1.4542
C31	4.8438	5.7968	6.1445	5.4937	4.6204	3.5826	3.5826	4.6204	5.4937	6.1445	6.7122	6.7122	6.9624	6.6689	6.0745	5.4937	5.7968	6.5143	6.6689	6.9733	7.1127	6.9624	6.6689	6.0745	5.7968	4.8438	4.1216	2.8555	2.4731	1.4014		1.4542	2.4731	3.7000	4.5176	5.4937	5.7968	6.5143	6.6689	6.1445	6.1445	5.4076	5.2085	4.1216	3.5826	4.5176	4.5176	5.4076	5.2084	4.1216	3.5826	2.3529	2.3529	1.4542	2.4731	3.7000	4.5176	4.1216	2.8555	2.4731
C32	5.7968	6.5143	6.6689	6.0745	5.4937	4.5176	4.1216	4.8438	5.7968	6.1445	6.7122	6.9624	7.1127	6.9733	6.6689	6.1445	6.1445	6.6689	6.5143	6.6689	6.9624	6.7122	6.1445	5.4937	5.4937	4.6204	3.5826	2.4731	2.8555	2.4731	1.4542		1.4014	2.4731	3.5826	4.6204	4.8438	5.7968	6.0745	5.4937	5.7968	5.2085	5.4076	4.5176	3.5826	4.1216	3.7000	4.5176	4.1216	2.8555	2.4731	1.4542	2.3529	2.3529	3.5826	4.5176	5.4076	5.2084	4.1216	3.7000
C33	6.0745	6.6689	6.5143	5.7968	5.4937	4.5176	3.7000	4.1216	5.2084	5.4076	6.1445	6.6689	6.9733	7.1127	6.9624	6.7122	6.7122	6.9624	6.6689	6.5143	6.6689	6.1445	5.4076	4.5176	4.5176	3.5826	2.3529	1.4542	2.4731	2.8555	2.4731	1.4014		1.4542	2.3529	3.5826	4.1216	5.2084	5.7968	5.4937	6.0745	5.7968	6.1445	5.4937	4.6204	4.8438	4.1216	4.5176	3.7000	2.4731	2.8555	2.4731	3.5826	3.5826	4.6204	5.4937	6.1445	5.7968	4.8438	4.1216
C34	6.6689	6.9733	6.6689	6.1445	6.1445	5.4076	4.5176	4.5176	5.4076	5.2084	5.7968	6.5143	6.6689	6.9624	7.1127	6.9624	6.7122	6.7122	6.1445	5.7968	6.0745	5.4937	4.5176	3.7000	4.1216	3.5826	2.3529	2.3529	3.5826	4.1216	3.7000	2.4731	1.4542		1.4542	2.4731	2.8555	4.1216	4.8438	4.6204	5.4937	5.4937	6.1445	5.7968	4.8438	4.6204	3.5826	3.5826	2.4731	1.4014	2.4731	2.8555	4.1216	4.5176	5.4937	6.0745	6.6689	6.5143	5.7968	5.2084
C35	6.5143	6.6689	6.0745	5.4937	5.7968	5.2084	4.1216	3.7000	4.5176	4.1216	4.8438	5.7968	6.1445	6.7122	6.9624	7.1127	6.9624	6.7122	6.1445	5.4937	5.4937	4.6204	3.5826	2.4731	2.8555	2.4731	1.4542	2.3529	3.5826	4.5176	4.5176	3.5826	2.3529	1.4542		1.4014	2.4731	3.5826	4.6204	4.8438	5.7968	6.0745	6.6689	6.5143	5.7968	5.4937	4.5176	4.1216	2.8555	2.4731	3.7000	4.1216	5.2084	5.4076	6.1445	6.6689	6.9733	6.6689	6.1445	5.4076
C36	6.6689	6.5143	5.7968	5.4937	6.0745	5.7968	4.8438	4.1216	4.5176	3.7000	4.1216	5.2084	5.4076	6.1445	6.6689	6.9733	6.6689	6.1445	5.4076	4.5176	4.5176	3.5826	2.3529	1.4542	2.4731	2.8555	2.4731	3.5826	4.6204	5.4937	5.4937	4.6204	3.5826	2.4731	1.4014		1.4542	2.3529	3.5826	4.1216	5.2084	5.7968	6.5143	6.6689	6.0745	5.4937	4.5176	3.7000	2.4731	2.8555	4.1216	4.8438	5.7968	6.1445	6.7122	6.9624	7.1127	6.9624	6.7122	6.1445
C37	6.9733	6.6689	6.1445	6.1445	6.6689	6.5143	5.7968	5.2084	5.4076	4.5176	4.5176	5.4076	5.2084	5.7968	6.5143	6.6689	6.0745	5.4937	4.5176	3.7000	4.1216	3.5826	2.3529	2.3529	3.5826	4.1216	3.7000	4.5176	5.4937	6.0745	5.7968	4.8438	4.1216	2.8555	2.4731	1.4542		1.4542	2.4731	2.8555	4.1216	4.8438	5.7968	6.1445	5.4937	4.6204	3.5826	2.4731	1.4014	2.4731	3.5826	4.6204	5.4937	6.1445	6.7122	6.7122	6.9624	7.1127	6.9624	6.6689
C38	6.6689	6.0745	5.4937	5.7968	6.5143	6.6689	6.1445	5.4076	5.2084	4.1216	3.7000	4.5176	4.1216	4.8438	5.7968	6.1445	5.4937	4.6204	3.5826	2.4731	2.8555	2.4731	1.4542	2.3529	3.5826	4.5176	4.5176	5.4076	6.1445	6.6689	6.5143	5.7968	5.2084	4.1216	3.5826	2.3529	1.4542		1.4014	2.4731	3.5826	4.6204	5.4937	6.1445	5.7968	4.8438	4.1216	2.8555	2.4731	3.7000	4.5176	5.4937	6.0745	6.6689	6.9624	6.7122	6.7122	6.9624	7.1127	6.9733
C39	6.5143	5.7968	5.4937	6.0745	6.6689	6.9624	6.7122	6.1445	5.7968	4.8438	4.1216	4.5176	3.7000	4.1216	5.2084	5.4076	4.5176	3.5826	2.3529	1.4542	2.4731	2.8555	2.4731	3.5826	4.6204	5.4937	5.4937	6.1445	6.7122	6.9624	6.6689	6.0745	5.7968	4.8438	4.6204	3.5826	2.4731	1.4014		1.4542	2.3529	3.5826	4.5176	5.4076	5.2084	4.1216	3.7000	2.4731	2.8555	4.1216	4.5176	5.4937	5.7968	6.5143	6.6689	6.1445	6.1445	6.6689	6.9733	7.1127
C40	6.6689	6.1445	6.1445	6.6689	6.9733	7.1127	6.9624	6.6689	6.5143	5.7968	5.2084	5.4076	4.5176	4.5176	5.4076	5.2084	4.1216	3.5826	2.3529	2.3529	3.5826	4.1216	3.7000	4.5176	5.4937	6.0745	5.7968	6.1445	6.7122	6.7122	6.1445	5.4937	5.4937	4.6204	4.8438	4.1216	2.8555	2.4731	1.4542		1.4542	2.4731	3.7000	4.5176	4.1216	2.8555	2.4731	1.4014	2.4731	3.5826	3.5826	4.6204	4.8438	5.7968	6.0745	5.4937	5.7968	6.5143	6.6689	6.9624
C41	6.0745	5.4937	5.7968	6.5143	6.6689	6.9624	7.1127	6.9733	6.6689	6.1445	5.4076	5.2084	4.1216	3.7000	4.5176	4.1216	2.8555	2.4731	1.4542	2.3529	3.5826	4.5176	4.5176	5.4076	6.1445	6.6689	6.5143	6.6689	6.9624	6.7122	6.1445	5.7968	6.0745	5.4937	5.7968	5.2084	4.1216	3.5826	2.3529	1.4542		1.4014	2.4731	3.5826	3.5826	2.4731	2.8555	2.4731	3.7000	4.5176	4.1216	4.8438	4.6204	5.4937	5.4937	4.6204	4.8438	5.7968	6.1445	6.7122
C42	5.7968	5.4937	6.0745	6.6689	6.5143	6.6689	6.9733	7.1127	6.9624	6.7122	6.1445	5.7968	4.8438	4.1216	4.5176	3.7000	2.4731	2.8555	2.4731	3.5826	4.6204	5.4937	5.4937	6.1445	6.7122	6.9624	6.6689	6.5143	6.6689	6.1445	5.4076	5.2085	5.7968	5.4937	6.0745	5.7968	4.8438	4.6204	3.5826	2.4731	1.4014		1.4542	2.3529	2.3529	1.4542	2.4731	2.8555	4.1216	4.5176	3.7000	4.1216	3.5826	4.5176	4.5176	3.5826	4.1216	5.2084	5.4076	6.1445
C43	4.8438	4.6204	5.4937	6.1445	5.7968	6.0745	6.6689	6.9624	6.7122	6.7122	6.1445	5.4937	4.6204	3.5826	3.5826	2.4731	1.4014	2.4731	2.8555	4.1216	4.8438	5.7968	6.0745	6.6689	6.9624	7.1127	6.9733	6.6689	6.5143	5.7968	5.2085	5.4076	6.1445	6.1445	6.6689	6.5143	5.7968	5.4937	4.5176	3.7000	2.4731	1.4542		1.4542	2.3529	2.3529	3.5826	4.1216	5.2084	5.4076	4.5176	4.5176	3.5826	4.1216	3.7000	2.4731	2.8555	4.1216	4.5176	5.4937
C44	4.6204	4.8438	5.7968	6.1445	5.4937	5.4937	6.1445	6.7122	6.7122	6.9624	6.6689	6.0745	5.4937	4.5176	4.1216	2.8555	2.4731	3.7000	4.1216	5.2084	5.7968	6.5143	6.6689	6.9733	7.1127	6.9624	6.6689	6.0745	5.7968	4.8438	4.1216	4.5176	5.4937	5.7968	6.5143	6.6689	6.1445	6.1445	5.4076	4.5176	3.5826	2.3529	1.4542		1.4542	2.3529	3.5826	4.5176	5.4076	5.2084	4.1216	3.7000	2.4731	2.8555	2.4731	1.4014	2.4731	3.5826	3.5826	4.6204
C45	5.4937	5.7968	6.5143	6.6689	6.0745	5.7968	6.1445	6.7122	6.9624	7.1127	6.9733	6.6689	6.1445	5.4076	5.2084	4.1216	3.5826	4.5176	4.5176	5.4076	6.1445	6.6689	6.5143	6.6689	6.9624	6.7122	6.1445	5.4937	5.4937	4.6204	3.5826	3.5826	4.6204	4.8438	5.7968	6.0745	5.4937	5.7968	5.2084	4.1216	3.5826	2.3529	2.3529	1.4542		1.4542	2.4731	3.7000	4.5176	4.1216	2.8555	2.4731	1.4014	2.4731	2.8555	2.4731	3.7000	4.5176	4.1216	4.8438
C46	6.1445	6.1445	6.6689	6.9733	6.6689	6.5143	6.6689	6.9624	7.1127	6.9624	6.6689	6.5143	5.7968	5.2084	5.4076	4.5176	3.5826	4.1216	3.7000	4.5176	5.4937	6.0745	5.7968	6.1445	6.7122	6.7122	6.1445	5.7968	6.0745	5.4937	4.5176	4.1216	4.8438	4.6204	5.4937	5.4937	4.6204	4.8438	4.1216	2.8555	2.4731	1.4542	2.3529	2.3529	1.4542		1.4014	2.4731	3.5826	3.5826	2.4731	2.8555	2.4731	3.7000	4.1216	3.5826	4.5176	5.4076	5.2084	5.7968
C47	6.7122	6.7122	6.9624	7.1127	6.9624	6.6689	6.5143	6.6689	6.9733	6.6689	6.5143	6.6689	6.0745	5.7968	6.1445	5.4937	4.6204	4.8438	4.1216	4.5176	5.4937	5.7968	5.2084	5.4076	6.1445	6.1445	5.4076	5.2084	5.7968	5.4937	4.5176	3.7000	4.1216	3.5826	4.5176	4.5176	3.5826	4.1216	3.7000	2.4731	2.8555	2.4731	3.5826	3.5826	2.4731	1.4014		1.4542	2.3529	2.3529	1.4542	2.4731	2.8555	4.1216	4.8438	4.6204	5.4937	6.1445	5.7968	6.0745
C48	6.9624	6.7122	6.7122	6.9624	7.1127	6.9733	6.6689	6.5143	6.6689	6.0745	5.7968	6.1445	5.4937	5.4937	6.1445	5.7968	4.8438	4.6204	3.5826	3.5826	4.6204	4.8438	4.1216	4.5176	5.4937	5.7968	5.2084	5.4076	6.1445	6.1445	5.4076	4.5176	4.5176	3.5826	4.1216	3.7000	2.4731	2.8555	2.4731	1.4014	2.4731	2.8555	4.1216	4.5176	3.7000	2.4731	1.4542		1.4542	2.3529	2.3529	3.5826	4.1216	5.2084	5.7968	5.4937	6.0745	6.6689	6.5143	6.6689
C49	7.1127	6.9624	6.7122	6.7122	6.9624	6.6689	6.0745	5.7968	6.1445	5.4937	5.4937	6.1445	5.7968	6.0745	6.6689	6.5143	5.7968	5.4937	4.5176	4.1216	4.8438	4.6204	3.5826	3.5826	4.6204	4.8438	4.1216	4.5176	5.4937	5.7968	5.2084	4.1216	3.7000	2.4731	2.8555	2.4731	1.4014	2.4731	2.8555	2.4731	3.7000	4.1216	5.2084	5.4076	4.5176	3.5826	2.3529	1.4542		1.4542	2.3529	3.5826	4.5176	5.4076	6.1445	6.1445	6.6689	6.9733	6.6689	6.5143
C50	6.9624	7.1127	6.9624	6.7122	6.7122	6.1445	5.4937	5.4937	6.1445	5.7968	6.0745	6.6689	6.5143	6.6689	6.9733	6.6689	6.1445	6.1445	5.4076	5.2084	5.7968	5.4937	4.5176	4.1216	4.8438	4.6204	3.5826	3.5826	4.6204	4.8438	4.1216	2.8555	2.4731	1.4014	2.4731	2.8555	2.4731	3.7000	4.1216	3.5826	4.5176	4.5176	5.4076	5.2084	4.1216	3.5826	2.3529	2.3529	1.4542		1.4542	2.4731	3.7000	4.5176	5.4937	5.7968	6.5143	6.6689	6.0745	5.7968
C51	6.7122	6.9624	7.1127	6.9624	6.7122	6.1445	5.7968	6.0745	6.6689	6.5143	6.6689	6.9733	6.6689	6.5143	6.6689	6.0745	5.4937	5.7968	5.2084	5.4076	6.1445	6.1445	5.4076	5.2084	5.7968	5.4937	4.5176	4.1216	4.8438	4.6204	3.5826	2.4731	2.8555	2.4731	3.7000	4.1216	3.5826	4.5176	4.5176	3.5826	4.1216	3.7000	4.5176	4.1216	2.8555	2.4731	1.4542	2.3529	2.3529	1.4542		1.4014	2.4731	3.5826	4.6204	4.8438	5.7968	6.1445	5.4937	5.4937
C52	6.1445	6.6689	6.9733	6.6689	6.1445	5.4076	5.2084	5.7968	6.5143	6.6689	6.9624	7.1127	6.9624	6.6689	6.5143	5.7968	5.4937	6.0745	5.7968	6.1445	6.7122	6.7122	6.1445	5.7968	6.0745	5.4937	4.5176	3.7000	4.1216	3.5826	2.3529	1.4542	2.4731	2.8555	4.1216	4.8438	4.6204	5.4937	5.4937	4.6204	4.8438	4.1216	4.5176	3.7000	2.4731	2.8555	2.4731	3.5826	3.5826	2.4731	1.4014		1.4542	2.3529	3.5826	4.1216	5.2084	5.4076	4.5176	4.5176
C53	5.4937	6.0745	6.6689	6.5143	5.7968	5.2084	5.4076	6.1445	6.6689	6.9733	7.1127	6.9624	6.7122	6.1445	5.7968	4.8438	4.6204	5.4937	5.4937	6.1445	6.7122	6.9624	6.6689	6.5143	6.6689	6.1445	5.4076	4.5176	4.5176	3.5826	2.3529	2.3529	3.5826	4.1216	5.2084	5.7968	5.4937	6.0745	5.7968	4.8438	4.6204	3.5826	3.5826	2.4731	1.4014	2.4731	2.8555	4.1216	4.5176	3.7000	2.4731	1.4542		1.4542	2.4731	2.8555	4.1216	4.5176	3.7000	4.1216
C54	4.6204	5.4937	6.1445	5.7968	4.8438	4.1216	4.5176	5.4937	6.0745	6.6689	6.9624	6.7122	6.7122	6.1445	5.4937	4.6204	4.8438	5.7968	6.0745	6.6689	6.9624	7.1127	6.9733	6.6689	6.5143	5.7968	5.2084	4.1216	3.7000	2.4731	1.4542	2.3529	3.5826	4.5176	5.4076	6.1445	6.1445	6.6689	6.5143	5.7968	5.4937	4.5176	4.1216	2.8555	2.4731	3.7000	4.1216	5.2084	5.4076	4.5176	3.5826	2.3529	1.4542		1.4014	2.4731	3.5826	3.5826	2.4731	2.8555
C55	3.5826	4.5176	5.4076	5.2084	4.1216	3.7000	4.5176	5.4937	5.7968	6.5143	6.6689	6.1445	6.1445	5.4076	4.5176	3.5826	4.1216	5.2084	5.7968	6.5143	6.6689	6.9733	7.1127	6.9624	6.6689	6.0745	5.7968	4.8438	4.1216	2.8555	2.4731	3.5826	4.6204	5.4937	6.1445	6.7122	6.7122	6.9624	6.6689	6.0745	5.4937	4.5176	3.7000	2.4731	2.8555	4.1216	4.8438	5.7968	6.1445	5.4937	4.6204	3.5826	2.4731	1.4014		1.4542	2.3529	2.3529	1.4542	2.4731
C56	3.5826	4.1216	5.2084	5.4076	4.5176	4.5176	5.4076	6.1445	6.1445	6.6689	6.5143	5.7968	5.4937	4.5176	3.7000	2.4731	2.8555	4.1216	4.8438	5.7968	6.0745	6.6689	6.9624	7.1127	6.9733	6.6689	6.5143	5.7968	5.2084	4.1216	3.7000	4.5176	5.4937	6.0745	6.6689	6.9624	6.7122	6.7122	6.1445	5.4937	4.6204	3.5826	2.4731	1.4014	2.4731	3.5826	4.6204	5.4937	6.1445	5.7968	4.8438	4.1216	2.8555	2.4731	1.4542		1.4542	2.3529	2.3529	3.5826
C57	2.4731	2.8555	4.1216	4.5176	3.7000	4.1216	5.2084	5.7968	5.4937	6.0745	5.7968	4.8438	4.6204	3.5826	2.4731	1.4014	2.4731	3.5826	4.6204	5.4937	5.4937	6.1445	6.7122	6.9624	6.6689	6.5143	6.6689	6.1445	5.4076	4.5176	4.5176	5.4076	6.1445	6.6689	6.9733	7.1127	6.9624	6.7122	6.1445	5.7968	4.8438	4.1216	2.8555	2.4731	3.7000	4.5176	5.4937	6.0745	6.6689	6.5143	5.7968	5.2084	4.1216	3.5826	2.3529	1.4542		1.4542	2.3529	3.5826
C58	1.4014	2.4731	3.5826	3.5826	2.4731	2.8555	4.1216	4.8438	4.6204	5.4937	5.4937	4.6204	4.8438	4.1216	2.8555	2.4731	3.7000	4.5176	5.4937	6.0745	5.7968	6.1445	6.7122	6.7122	6.1445	5.7968	6.0745	5.4937	4.5176	3.7000	4.1216	5.2084	5.7968	6.5143	6.6689	6.9624	7.1127	6.9624	6.6689	6.5143	5.7968	5.2084	4.1216	3.5826	4.5176	5.4076	6.1445	6.6689	6.9733	6.6689	6.1445	5.4076	4.5176	3.5826	2.3529	2.3529	1.4542		1.4542	2.4731
C59	2.4731	3.7000	4.5176	4.1216	2.8555	2.4731	3.5826	4.6204	4.8438	5.7968	6.0745	5.4937	5.7968	5.2084	4.1216	3.5826	4.5176	5.4076	6.1445	6.6689	6.5143	6.6689	6.9624	6.7122	6.1445	5.4937	5.4937	4.6204	3.5826	2.4731	2.8555	4.1216	4.8438	5.7968	6.1445	6.7122	6.9624	7.1127	6.9733	6.6689	6.1445	5.4076	4.5176	3.5826	4.1216	5.2084	5.7968	6.5143	6.6689	6.0745	5.4937	4.5176	3.7000	2.4731	1.4542	2.3529	2.3529	1.4542		1.4014
C60	2.8555	4.1216	4.5176	3.7000	2.4731	1.4542	2.3529	3.5826	4.1216	5.2084	5.7968	5.4937	6.0745	5.7968	4.8438	4.6204	5.4937	6.1445	6.7122	6.9624	6.6689	6.5143	6.6689	6.1445	5.4076	4.5176	4.5176	3.5826	2.3529	1.4542	2.4731	3.7000	4.1216	5.2084	5.4076	6.1445	6.6689	6.9733	7.1127	6.9624	6.7122	6.1445	5.4937	4.6204	4.8438	5.7968	6.0745	6.6689	6.5143	5.7968	5.4937	4.5176	4.1216	2.8555	2.4731	3.5826	3.5826	2.4731	1.4014

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

Electronic energy levels

Charges, Dipole, Quadrupole and Polarizability
Charges from optimized geometry at PBEPBE/6-311G* Charges (e)

Number	Element	Mulliken	CHELPG	AIM	ESP
1	C	0.000
2	C	0.000
3	C	0.000
4	C	0.000
5	C	0.000
6	C	0.000
7	C	0.000
8	C	0.000
9	C	0.000
10	C	0.000
11	C	0.000
12	C	0.000
13	C	0.000
14	C	0.000
15	C	0.000
16	C	0.000
17	C	0.000
18	C	0.000
19	C	0.000
20	C	0.000
21	C	0.000
22	C	0.000
23	C	0.000
24	C	0.000
25	C	0.000
26	C	0.000
27	C	0.000
28	C	0.000
29	C	0.000
30	C	0.000
31	C	0.000
32	C	0.000
33	C	0.000
34	C	0.000
35	C	0.000
36	C	0.000
37	C	0.000
38	C	0.000
39	C	0.000
40	C	0.000
41	C	0.000
42	C	0.000
43	C	0.000
44	C	0.000
45	C	0.000
46	C	0.000
47	C	0.000
48	C	0.000
49	C	0.000
50	C	0.000
51	C	0.000
52	C	0.000
53	C	0.000
54	C	0.000
55	C	0.000
56	C	0.000
57	C	0.000
58	C	0.000
59	C	0.000
60	C	0.000

Electric dipole moments
Electric dipole components in Debye
(What's a Debye? See section VII.A.3)

	x	y	z	Total
	0.000	0.000	0.000	0.000
CHELPG
AIM
ESP

Electric Quadrupole moment
Quadrupole components in D Å

Primitive   x y z x -333.317 0.000 0.000 y 0.000 -333.317 0.000 z 0.000 0.000 -333.317

Traceless   x y z x 0.000 0.000 0.000 y 0.000 0.000 0.000 z 0.000 0.000 0.000

Polar 3z2-r2 0.000 x2-y2 0.000 xy 0.000 xz 0.000 yz 0.000

Polarizabilities
Components of the polarizability tensor.
Units are ų (Angstrom cubed)
Change units.

	x	y	z
x	75.684	0.000	0.000
y	0.000	75.684	0.000
z	0.000	0.000	75.684

<r²> (average value of r²) Ų

<r2>	4761.305
(<r2>)1/2	69.002