All results from a given calculation for C₆₀ (Buckminsterfullerene)

Energy calculated at PBEPBEultrafine/6-31G*

	hartrees
Energy at 0K	-2283.597882
Energy at 298.15K	-2283.594953
HF Energy	-2283.597882
Nuclear repulsion energy	8295.715877

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 PBEPBEultrafine/6-31G*

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	1487	1463	0.00
2	Ag	488	480	0.00
3	Au	925	910	0.00
4	T1g	1273	1252	0.00
4	T1g	1273	1252	0.00
4	T1g	1273	1252	0.00
5	T1g	809	796	0.00
5	T1g	809	796	0.00
5	T1g	809	796	0.00
6	T1g	543	534	0.00
6	T1g	543	534	0.00
6	T1g	543	534	0.00
7	T1u	1447	1423	9.19
7	T1u	1447	1423	9.19
7	T1u	1447	1423	9.19
8	T1u	1194	1175	8.89
8	T1u	1194	1175	8.89
8	T1u	1194	1175	8.89
9	T1u	578	568	11.45
9	T1u	578	568	11.45
9	T1u	578	568	11.45
10	T1u	511	503	22.77
10	T1u	511	503	22.77
10	T1u	511	503	22.77
11	T2g	1338	1315	0.00
11	T2g	1338	1315	0.00
11	T2g	1338	1315	0.00
12	T2g	776	763	0.00
12	T2g	776	763	0.00
12	T2g	776	763	0.00
13	T2g	706	695	0.00
13	T2g	706	695	0.00
13	T2g	706	695	0.00
14	T2g	546	537	0.00
14	T2g	546	537	0.00
14	T2g	546	537	0.00
15	T2u	1528	1503	0.00
15	T2u	1528	1503	0.00
15	T2u	1528	1503	0.00
16	T2u	1197	1178	0.00
16	T2u	1197	1178	0.00
16	T2u	1197	1178	0.00
17	T2u	968	952	0.00
17	T2u	968	952	0.00
17	T2u	968	952	0.00
18	T2u	690	679	0.00
18	T2u	690	679	0.00
81	T2u	690	679	0.00
19	T2u	331	325	0.00
19	T2u	331	325	0.00
19	T2u	331	325	0.00
20	Gg	1501	1476	0.00
20	Gg	1501	1476	0.00
20	Gg	1501	1476	0.00
20	Gg	1501	1476	0.00
21	Gg	1305	1284	0.00
21	Gg	1305	1284	0.00
21	Gg	1305	1284	0.00
21	Gg	1305	1284	0.00
22	Gg	1092	1074	0.00
22	Gg	1092	1074	0.00
22	Gg	1092	1074	0.00
22	Gg	1092	1074	0.00
23	Gg	718	706	0.00
23	Gg	718	706	0.00
23	Gg	718	706	0.00
23	Gg	718	706	0.00
24	Gg	559	549	0.00
24	Gg	559	549	0.00
24	Gg	559	549	0.00
24	Gg	559	549	0.00
25	Gg	471	464	0.00
25	Gg	471	464	0.00
25	Gg	471	464	0.00
25	Gg	471	464	0.00
26	Gu	1437	1413	0.00
26	Gu	1437	1413	0.00
26	Gu	1437	1413	0.00
26	Gu	1437	1413	0.00
27	Gu	1311	1290	0.00
27	Gu	1311	1290	0.00
27	Gu	1311	1290	0.00
27	Gu	1311	1290	0.00
28	Gu	963	947	0.00
28	Gu	963	947	0.00
28	Gu	963	947	0.00
28	Gu	963	947	0.00
29	Gu	739	726	0.00
29	Gu	739	726	0.00
29	Gu	739	726	0.00
29	Gu	739	726	0.00
30	Gu	719	707	0.00
30	Gu	719	707	0.00
30	Gu	719	707	0.00
30	Gu	719	707	0.00
31	Gu	345	339	0.00
31	Gu	345	339	0.00
31	Gu	345	339	0.00
31	Gu	345	339	0.00
32	Hg	1571	1545	0.00
32	Hg	1571	1545	0.00
32	Hg	1571	1545	0.00
32	Hg	1571	1545	0.00
32	Hg	1571	1545	0.00
33	Hg	1436	1412	0.00
33	Hg	1436	1412	0.00
33	Hg	1436	1412	0.00
33	Hg	1436	1412	0.00
33	Hg	1436	1412	0.00
34	Hg	1257	1236	0.00
34	Hg	1257	1236	0.00
34	Hg	1257	1236	0.00
34	Hg	1257	1236	0.00
34	Hg	1257	1236	0.00
35	Hg	1102	1084	0.00
35	Hg	1102	1084	0.00
35	Hg	1102	1084	0.00
35	Hg	1102	1084	0.00
35	Hg	1102	1084	0.00
36	Hg	772	759	0.00
36	Hg	772	759	0.00
36	Hg	772	759	0.00
36	Hg	772	759	0.00
36	Hg	772	759	0.00
37	Hg	687	676	0.00
37	Hg	687	676	0.00
37	Hg	687	676	0.00
37	Hg	687	676	0.00
37	Hg	687	676	0.00
38	Hg	419	412	0.00
38	Hg	419	412	0.00
38	Hg	419	412	0.00
38	Hg	419	412	0.00
38	Hg	419	412	0.00
39	Hg	257	253	0.00
39	Hg	257	253	0.00
39	Hg	257	253	0.00
39	Hg	257	253	0.00
39	Hg	257	253	0.00
40	Hu	1561	1535	0.00
40	Hu	1561	1535	0.00
40	Hu	1561	1535	0.00
40	Hu	1561	1535	0.00
40	Hu	1561	1535	0.00
41	Hu	1339	1317	0.00
41	Hu	1339	1317	0.00
41	Hu	1339	1317	0.00
41	Hu	1339	1317	0.00
41	Hu	1339	1317	0.00
42	Hu	1214	1194	0.00
42	Hu	1214	1194	0.00
42	Hu	1214	1194	0.00
42	Hu	1214	1194	0.00
42	Hu	1214	1194	0.00
43	Hu	708	696	0.00
43	Hu	708	696	0.00
43	Hu	708	696	0.00
43	Hu	708	696	0.00
43	Hu	708	696	0.00
44	Hu	654	643	0.00
44	Hu	654	643	0.00
44	Hu	654	643	0.00
44	Hu	654	643	0.00
44	Hu	654	643	0.00
45	Hu	519	511	0.00
45	Hu	519	511	0.00
45	Hu	519	511	0.00
45	Hu	519	511	0.00
45	Hu	519	511	0.00
46	Hu	396	389	0.00
46	Hu	396	389	0.00
46	Hu	396	389	0.00
46	Hu	396	389	0.00
46	Hu	396	389	0.00

Unscaled Zero Point Vibrational Energy (zpe) 80147.0 cm^-1
Scaled (by 0.9835) Zero Point Vibrational Energy (zpe) 78824.6 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 PBEPBEultrafine/6-31G*

A	B	C
0.00277	0.00277	0.00277

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

Geometric Data calculated at PBEPBEultrafine/6-31G*

Point Group is I_h

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.239	3.341
C2	-1.178	0.383	3.341
C3	-0.728	-1.002	3.341
C4	0.728	-1.002	3.341
C5	1.178	0.383	3.341
C6	2.315	0.752	2.602
C7	3.043	-0.250	1.837
C8	2.609	-1.586	1.837
C9	1.431	-1.969	2.602
C10	0.702	-2.972	1.837
C11	-0.702	-2.972	1.837
C12	-1.431	-1.969	2.602
C13	-2.609	-1.586	1.837
C14	-3.043	-0.250	1.837
C15	-2.315	0.752	2.602
C16	-2.315	1.991	1.837
C17	-3.043	1.755	0.597
C18	-3.493	0.369	0.597
C19	-3.493	-0.369	-0.597
C20	-3.043	-1.755	-0.597
C21	-2.609	-2.352	0.597
C22	-1.431	-3.208	0.597
C23	-0.728	-3.437	-0.597
C24	0.728	-3.437	-0.597
C25	1.431	-3.208	0.597
C26	2.609	-2.352	0.597
C27	3.043	-1.755	-0.597
C28	3.493	-0.369	-0.597
C29	3.493	0.369	0.597
C30	3.043	1.755	0.597
C31	2.609	2.352	-0.597
C32	2.609	1.586	-1.837
C33	3.043	0.250	-1.837
C34	2.315	-0.752	-2.602
C35	2.315	-1.991	-1.837
C36	1.178	-2.817	-1.837
C37	0.000	-2.434	-2.602
C38	-1.178	-2.817	-1.837
C39	-2.315	-1.991	-1.837
C40	-2.315	-0.752	-2.602
C41	-3.043	0.250	-1.837
C42	-2.609	1.586	-1.837
C43	-2.609	2.352	-0.597
C44	-1.431	3.208	-0.597
C45	-0.702	2.972	-1.837
C46	-1.431	1.969	-2.602
C47	-0.728	1.002	-3.341
C48	-1.178	-0.383	-3.341
C49	0.000	-1.239	-3.341
C50	1.178	-0.383	-3.341
C51	0.728	1.002	-3.341
C52	1.431	1.969	-2.602
C53	0.702	2.972	-1.837
C54	1.431	3.208	-0.597
C55	0.728	3.437	0.597
C56	-0.728	3.437	0.597
C57	-1.178	2.817	1.837
C58	0.000	2.434	2.602
C59	1.178	2.817	1.837
C60	2.315	1.991	1.837

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		1.4566	2.3569	2.3569	1.4566	2.4782	3.7071	4.1296	3.5896	4.5262	4.5262	3.5896	4.1296	3.7071	2.4782	2.8614	4.1296	4.5262	5.5047	5.8081	5.2183	5.4178	6.1565	6.1565	5.4178	5.2183	5.8081	5.5047	4.5262	4.1296	4.8536	5.8081	6.0865	6.6818	6.5269	6.6818	6.9867	6.6818	6.5269	6.6818	6.0865	5.8081	4.8536	4.6299	5.5047	6.1565	6.7256	6.9761	7.1266	6.9761	6.7256	6.1565	5.5047	4.6299	3.5896	3.5896	2.4782	1.4048	2.4782	2.8614
C2	1.4566		1.4566	2.3569	2.3569	3.5896	4.5262	4.5262	3.5896	4.1296	3.7071	2.4782	2.8614	2.4782	1.4048	2.4782	3.5896	3.5896	4.6299	4.8536	4.1296	4.5262	5.5047	5.8081	5.2183	5.4178	6.1565	6.1565	5.4178	5.2183	5.8081	6.5269	6.6818	6.9867	6.6818	6.5269	6.6818	6.0865	5.8081	6.1565	5.5047	5.5047	4.6299	4.8536	5.8081	6.1565	6.7256	6.7256	6.9761	7.1266	6.9761	6.6818	6.0865	5.5047	4.5262	4.1296	2.8614	2.4782	3.7071	4.1296
C3	2.3569	1.4566		1.4566	2.3569	3.5896	4.1296	3.7071	2.4782	2.8614	2.4782	1.4048	2.4782	2.8614	2.4782	3.7071	4.5262	4.1296	4.8536	4.6299	3.5896	3.5896	4.6299	4.8536	4.1296	4.5262	5.5047	5.8081	5.2183	5.4178	6.1565	6.6818	6.5269	6.6818	6.0865	5.8081	6.1565	5.5047	5.5047	6.1565	5.8081	6.0865	5.5047	5.8081	6.5269	6.6818	6.9761	6.7256	6.7256	6.9761	7.1266	6.9867	6.6818	6.1565	5.4178	5.2183	4.1296	3.5896	4.5262	4.5262
C4	2.3569	2.3569	1.4566		1.4566	2.4782	2.8614	2.4782	1.4048	2.4782	2.8614	2.4782	3.7071	4.1296	3.5896	4.5262	5.4178	5.2183	5.8081	5.5047	4.5262	4.1296	4.8536	4.6299	3.5896	3.5896	4.6299	4.8536	4.1296	4.5262	5.5047	6.0865	5.8081	6.1565	5.5047	5.5047	6.1565	5.8081	6.0865	6.6818	6.5269	6.6818	6.1565	6.1565	6.6818	6.9867	7.1266	6.9761	6.7256	6.7256	6.9761	6.6818	6.5269	5.8081	5.2183	5.4178	4.5262	3.5896	4.1296	3.7071
C5	1.4566	2.3569	2.3569	1.4566		1.4048	2.4782	2.8614	2.4782	3.7071	4.1296	3.5896	4.5262	4.5262	3.5896	4.1296	5.2183	5.4178	6.1565	6.1565	5.4178	5.2183	5.8081	5.5047	4.5262	4.1296	4.8536	4.6299	3.5896	3.5896	4.6299	5.5047	5.5047	6.1565	5.8081	6.0865	6.6818	6.5269	6.6818	6.9867	6.6818	6.5269	5.8081	5.5047	6.0865	6.6818	6.9761	7.1266	6.9761	6.7256	6.7256	6.1565	5.8081	4.8536	4.1296	4.5262	3.7071	2.4782	2.8614	2.4782
C6	2.4782	3.5896	3.5896	2.4782	1.4048		1.4566	2.4782	2.8614	4.1296	4.8536	4.6299	5.5047	5.5047	4.6299	4.8536	5.8081	6.1565	6.7256	6.7256	6.1565	5.8081	6.0865	5.5047	4.5262	3.7071	4.1296	3.5896	2.3569	2.3569	3.5896	4.5262	4.5262	5.4178	5.2183	5.8081	6.5269	6.6818	6.9761	7.1266	6.9761	6.6818	6.0865	5.5047	5.8081	6.5269	6.6818	6.9867	6.6818	6.1565	6.1565	5.4178	5.2183	4.1296	3.7071	4.5262	4.1296	2.8614	2.4782	1.4566
C7	3.7071	4.5262	4.1296	2.8614	2.4782	1.4566		1.4048	2.4782	3.5896	4.6299	4.8536	5.8081	6.0865	5.5047	5.8081	6.5269	6.6818	6.9761	6.7256	6.1565	5.5047	5.5047	4.6299	3.5896	2.4782	2.8614	2.4782	1.4566	2.3569	3.5896	4.1296	3.7071	4.5262	4.1296	4.8536	5.8081	6.1565	6.7256	6.9761	7.1266	6.9867	6.6818	6.1565	6.1565	6.6818	6.5269	6.6818	6.0865	5.5047	5.8081	5.2183	5.4178	4.5262	4.5262	5.4178	5.2183	4.1296	3.5896	2.3569
C8	4.1296	4.5262	3.7071	2.4782	2.8614	2.4782	1.4048		1.4566	2.3569	3.5896	4.1296	5.2183	5.8081	5.5047	6.0865	6.6818	6.5269	6.6818	6.1565	5.4178	4.5262	4.5262	3.5896	2.3569	1.4566	2.4782	2.8614	2.4782	3.5896	4.6299	4.8536	4.1296	4.5262	3.7071	4.1296	5.2183	5.4178	6.1565	6.6818	6.9867	7.1266	6.9761	6.7256	6.7256	6.9761	6.6818	6.5269	5.8081	5.5047	6.0865	5.8081	6.1565	5.5047	5.5047	6.1565	5.8081	4.8536	4.6299	3.5896
C9	3.5896	3.5896	2.4782	1.4048	2.4782	2.8614	2.4782	1.4566		1.4566	2.4782	2.8614	4.1296	4.8536	4.6299	5.5047	6.1565	5.8081	6.0865	5.5047	4.5262	3.7071	4.1296	3.5896	2.3569	2.3569	3.5896	4.1296	3.7071	4.5262	5.5047	5.8081	5.2183	5.4178	4.5262	4.5262	5.4178	5.2183	5.8081	6.5269	6.6818	6.9761	6.7256	6.7256	6.9761	7.1266	6.9867	6.6818	6.1565	6.1565	6.6818	6.5269	6.6818	6.0865	5.8081	6.1565	5.5047	4.6299	4.8536	4.1296
C10	4.5262	4.1296	2.8614	2.4782	3.7071	4.1296	3.5896	2.3569	1.4566		1.4048	2.4782	3.5896	4.6299	4.8536	5.8081	6.1565	5.5047	5.5047	4.6299	3.5896	2.4782	2.8614	2.4782	1.4566	2.3569	3.5896	4.5262	4.5262	5.4178	6.1565	6.1565	5.4178	5.2183	4.1296	3.7071	4.5262	4.1296	4.8536	5.8081	6.1565	6.7256	6.7256	6.9761	7.1266	6.9761	6.6818	6.0865	5.5047	5.8081	6.5269	6.6818	6.9867	6.6818	6.5269	6.6818	6.0865	5.5047	5.8081	5.2183
C11	4.5262	3.7071	2.4782	2.8614	4.1296	4.8536	4.6299	3.5896	2.4782	1.4048		1.4566	2.3569	3.5896	4.1296	5.2183	5.4178	4.5262	4.5262	3.5896	2.3569	1.4566	2.4782	2.8614	2.4782	3.5896	4.6299	5.5047	5.5047	6.1565	6.7256	6.7256	6.1565	5.8081	4.8536	4.1296	4.5262	3.7071	4.1296	5.2183	5.4178	6.1565	6.1565	6.6818	6.9867	6.6818	6.5269	5.8081	5.5047	6.0865	6.6818	6.9761	7.1266	6.9761	6.6818	6.5269	5.8081	5.5047	6.0865	5.8081
C12	3.5896	2.4782	1.4048	2.4782	3.5896	4.6299	4.8536	4.1296	2.8614	2.4782	1.4566		1.4566	2.4782	2.8614	4.1296	4.5262	3.7071	4.1296	3.5896	2.3569	2.3569	3.5896	4.1296	3.7071	4.5262	5.5047	6.0865	5.8081	6.1565	6.7256	6.9761	6.6818	6.5269	5.8081	5.2183	5.4178	4.5262	4.5262	5.4178	5.2183	5.8081	5.5047	6.0865	6.6818	6.5269	6.6818	6.1565	6.1565	6.6818	6.9867	7.1266	6.9761	6.7256	6.1565	5.8081	4.8536	4.6299	5.5047	5.5047
C13	4.1296	2.8614	2.4782	3.7071	4.5262	5.5047	5.8081	5.2183	4.1296	3.5896	2.3569	1.4566		1.4048	2.4782	3.5896	3.5896	2.4782	2.8614	2.4782	1.4566	2.3569	3.5896	4.5262	4.5262	5.4178	6.1565	6.6818	6.5269	6.6818	6.9761	7.1266	6.9867	6.6818	6.1565	5.4178	5.2183	4.1296	3.7071	4.5262	4.1296	4.8536	4.6299	5.5047	6.1565	5.8081	6.0865	5.5047	5.8081	6.5269	6.6818	6.9761	6.7256	6.7256	6.1565	5.5047	4.6299	4.8536	5.8081	6.0865
C14	3.7071	2.4782	2.8614	4.1296	4.5262	5.5047	6.0865	5.8081	4.8536	4.6299	3.5896	2.4782	1.4048		1.4566	2.3569	2.3569	1.4566	2.4782	2.8614	2.4782	3.5896	4.6299	5.5047	5.5047	6.1565	6.7256	6.9761	6.6818	6.5269	6.6818	6.9867	7.1266	6.9761	6.7256	6.1565	5.8081	4.8536	4.1296	4.5262	3.7071	4.1296	3.5896	4.5262	5.4178	5.2183	5.8081	5.5047	6.0865	6.6818	6.5269	6.6818	6.1565	6.1565	5.4178	4.5262	3.5896	4.1296	5.2183	5.8081
C15	2.4782	1.4048	2.4782	3.5896	3.5896	4.6299	5.5047	5.5047	4.6299	4.8536	4.1296	2.8614	2.4782	1.4566		1.4566	2.3569	2.3569	3.5896	4.1296	3.7071	4.5262	5.5047	6.0865	5.8081	6.1565	6.7256	6.7256	6.1565	5.8081	6.0865	6.6818	6.9761	7.1266	6.9761	6.6818	6.5269	5.8081	5.2183	5.4178	4.5262	4.5262	3.5896	4.1296	5.2183	5.4178	6.1565	6.1565	6.6818	6.9867	6.6818	6.5269	5.8081	5.5047	4.5262	3.7071	2.4782	2.8614	4.1296	4.8536
C16	2.8614	2.4782	3.7071	4.5262	4.1296	4.8536	5.8081	6.0865	5.5047	5.8081	5.2183	4.1296	3.5896	2.3569	1.4566		1.4566	2.3569	3.5896	4.5262	4.5262	5.4178	6.1565	6.6818	6.5269	6.6818	6.9761	6.7256	6.1565	5.5047	5.5047	6.1565	6.7256	6.9761	7.1266	6.9867	6.6818	6.1565	5.4178	5.2183	4.1296	3.7071	2.4782	2.8614	4.1296	4.5262	5.5047	5.8081	6.5269	6.6818	6.0865	5.8081	4.8536	4.6299	3.5896	2.4782	1.4048	2.4782	3.5896	4.6299
C17	4.1296	3.5896	4.5262	5.4178	5.2183	5.8081	6.5269	6.6818	6.1565	6.1565	5.4178	4.5262	3.5896	2.3569	2.3569	1.4566		1.4566	2.4782	3.7071	4.1296	5.2183	5.8081	6.5269	6.6818	6.9867	7.1266	6.9761	6.6818	6.0865	5.8081	6.1565	6.7256	6.7256	6.9761	6.6818	6.0865	5.5047	4.5262	4.1296	2.8614	2.4782	1.4048	2.4782	3.5896	3.5896	4.6299	4.8536	5.8081	6.1565	5.5047	5.5047	4.6299	4.8536	4.1296	2.8614	2.4782	3.7071	4.5262	5.5047
C18	4.5262	3.5896	4.1296	5.2183	5.4178	6.1565	6.6818	6.5269	5.8081	5.5047	4.5262	3.7071	2.4782	1.4566	2.3569	2.3569	1.4566		1.4048	2.4782	2.8614	4.1296	4.8536	5.8081	6.0865	6.6818	6.9761	7.1266	6.9867	6.6818	6.5269	6.6818	6.9761	6.7256	6.7256	6.1565	5.5047	4.6299	3.5896	3.5896	2.4782	2.8614	2.4782	3.7071	4.5262	4.1296	4.8536	4.6299	5.5047	6.1565	5.8081	6.0865	5.5047	5.8081	5.2183	4.1296	3.5896	4.5262	5.4178	6.1565
C19	5.5047	4.6299	4.8536	5.8081	6.1565	6.7256	6.9761	6.6818	6.0865	5.5047	4.5262	4.1296	2.8614	2.4782	3.5896	3.5896	2.4782	1.4048		1.4566	2.4782	3.7071	4.1296	5.2183	5.8081	6.5269	6.6818	6.9867	7.1266	6.9761	6.6818	6.5269	6.6818	6.1565	6.1565	5.4178	4.5262	3.5896	2.3569	2.3569	1.4566	2.4782	2.8614	4.1296	4.5262	3.7071	4.1296	3.5896	4.5262	5.4178	5.2183	5.8081	5.5047	6.0865	5.8081	4.8536	4.6299	5.5047	6.1565	6.7256
C20	5.8081	4.8536	4.6299	5.5047	6.1565	6.7256	6.7256	6.1565	5.5047	4.6299	3.5896	3.5896	2.4782	2.8614	4.1296	4.5262	3.7071	2.4782	1.4566		1.4048	2.4782	2.8614	4.1296	4.8536	5.8081	6.0865	6.6818	6.9761	7.1266	6.9867	6.6818	6.5269	5.8081	5.5047	4.5262	3.7071	2.4782	1.4566	2.3569	2.3569	3.5896	4.1296	5.2183	5.4178	4.5262	4.5262	3.5896	4.1296	5.2183	5.4178	6.1565	6.1565	6.6818	6.5269	5.8081	5.5047	6.0865	6.6818	6.9761
C21	5.2183	4.1296	3.5896	4.5262	5.4178	6.1565	6.1565	5.4178	4.5262	3.5896	2.3569	2.3569	1.4566	2.4782	3.7071	4.5262	4.1296	2.8614	2.4782	1.4048		1.4566	2.4782	3.7071	4.1296	5.2183	5.8081	6.5269	6.6818	6.9867	7.1266	6.9761	6.6818	6.0865	5.5047	4.5262	4.1296	2.8614	2.4782	3.5896	3.5896	4.6299	4.8536	5.8081	6.1565	5.5047	5.5047	4.6299	4.8536	5.8081	6.1565	6.7256	6.7256	6.9761	6.6818	6.0865	5.5047	5.8081	6.5269	6.6818
C22	5.4178	4.5262	3.5896	4.1296	5.2183	5.8081	5.5047	4.5262	3.7071	2.4782	1.4566	2.3569	2.3569	3.5896	4.5262	5.4178	5.2183	4.1296	3.7071	2.4782	1.4566		1.4048	2.4782	2.8614	4.1296	4.8536	5.8081	6.0865	6.6818	6.9761	6.7256	6.1565	5.5047	4.6299	3.5896	3.5896	2.4782	2.8614	4.1296	4.5262	5.5047	5.8081	6.5269	6.6818	6.0865	5.8081	4.8536	4.6299	5.5047	6.1565	6.7256	6.9761	7.1266	6.9867	6.6818	6.1565	6.1565	6.6818	6.5269
C23	6.1565	5.5047	4.6299	4.8536	5.8081	6.0865	5.5047	4.5262	4.1296	2.8614	2.4782	3.5896	3.5896	4.6299	5.5047	6.1565	5.8081	4.8536	4.1296	2.8614	2.4782	1.4048		1.4566	2.4782	3.7071	4.1296	5.2183	5.8081	6.5269	6.6818	6.1565	5.4178	4.5262	3.5896	2.3569	2.3569	1.4566	2.4782	3.7071	4.5262	5.5047	6.0865	6.6818	6.5269	5.8081	5.2183	4.1296	3.5896	4.5262	5.4178	6.1565	6.6818	6.9867	7.1266	6.9761	6.7256	6.7256	6.9761	6.6818
C24	6.1565	5.8081	4.8536	4.6299	5.5047	5.5047	4.6299	3.5896	3.5896	2.4782	2.8614	4.1296	4.5262	5.5047	6.0865	6.6818	6.5269	5.8081	5.2183	4.1296	3.7071	2.4782	1.4566		1.4048	2.4782	2.8614	4.1296	4.8536	5.8081	6.0865	5.5047	4.5262	3.7071	2.4782	1.4566	2.3569	2.3569	3.5896	4.5262	5.4178	6.1565	6.6818	6.9867	6.6818	6.1565	5.4178	4.5262	3.5896	4.1296	5.2183	5.8081	6.5269	6.6818	6.9761	7.1266	6.9761	6.7256	6.7256	6.1565
C25	5.4178	5.2183	4.1296	3.5896	4.5262	4.5262	3.5896	2.3569	2.3569	1.4566	2.4782	3.7071	4.5262	5.5047	5.8081	6.5269	6.6818	6.0865	5.8081	4.8536	4.1296	2.8614	2.4782	1.4048		1.4566	2.4782	3.7071	4.1296	5.2183	5.8081	5.5047	4.5262	4.1296	2.8614	2.4782	3.5896	3.5896	4.6299	5.5047	6.1565	6.7256	6.9761	7.1266	6.9761	6.7256	6.1565	5.5047	4.6299	4.8536	5.8081	6.0865	6.6818	6.5269	6.6818	6.9867	6.6818	6.1565	6.1565	5.4178
C26	5.2183	5.4178	4.5262	3.5896	4.1296	3.7071	2.4782	1.4566	2.3569	2.3569	3.5896	4.5262	5.4178	6.1565	6.1565	6.6818	6.9867	6.6818	6.5269	5.8081	5.2183	4.1296	3.7071	2.4782	1.4566		1.4048	2.4782	2.8614	4.1296	4.8536	4.6299	3.5896	3.5896	2.4782	2.8614	4.1296	4.5262	5.5047	6.0865	6.6818	6.9761	7.1266	6.9761	6.7256	6.7256	6.1565	5.8081	4.8536	4.6299	5.5047	5.5047	6.1565	5.8081	6.0865	6.6818	6.5269	5.8081	5.5047	4.5262
C27	5.8081	6.1565	5.5047	4.6299	4.8536	4.1296	2.8614	2.4782	3.5896	3.5896	4.6299	5.5047	6.1565	6.7256	6.7256	6.9761	7.1266	6.9761	6.6818	6.0865	5.8081	4.8536	4.1296	2.8614	2.4782	1.4048		1.4566	2.4782	3.7071	4.1296	3.5896	2.3569	2.3569	1.4566	2.4782	3.7071	4.5262	5.5047	5.8081	6.5269	6.6818	6.9867	6.6818	6.1565	6.1565	5.4178	5.2183	4.1296	3.5896	4.5262	4.5262	5.4178	5.2183	5.8081	6.5269	6.6818	6.0865	5.5047	4.5262
C28	5.5047	6.1565	5.8081	4.8536	4.6299	3.5896	2.4782	2.8614	4.1296	4.5262	5.5047	6.0865	6.6818	6.9761	6.7256	6.7256	6.9761	7.1266	6.9867	6.6818	6.5269	5.8081	5.2183	4.1296	3.7071	2.4782	1.4566		1.4048	2.4782	2.8614	2.4782	1.4566	2.3569	2.3569	3.5896	4.5262	5.4178	6.1565	6.1565	6.6818	6.5269	6.6818	6.0865	5.5047	5.8081	5.2183	5.4178	4.5262	3.5896	4.1296	3.7071	4.5262	4.1296	4.8536	5.8081	6.1565	5.5047	4.6299	3.5896
C29	4.5262	5.4178	5.2183	4.1296	3.5896	2.3569	1.4566	2.4782	3.7071	4.5262	5.5047	5.8081	6.5269	6.6818	6.1565	6.1565	6.6818	6.9867	7.1266	6.9761	6.6818	6.0865	5.8081	4.8536	4.1296	2.8614	2.4782	1.4048		1.4566	2.4782	2.8614	2.4782	3.5896	3.5896	4.6299	5.5047	6.1565	6.7256	6.7256	6.9761	6.6818	6.5269	5.8081	5.5047	6.0865	5.8081	6.1565	5.5047	4.6299	4.8536	4.1296	4.5262	3.7071	4.1296	5.2183	5.4178	4.5262	3.5896	2.3569
C30	4.1296	5.2183	5.4178	4.5262	3.5896	2.3569	2.3569	3.5896	4.5262	5.4178	6.1565	6.1565	6.6818	6.5269	5.8081	5.5047	6.0865	6.6818	6.9761	7.1266	6.9867	6.6818	6.5269	5.8081	5.2183	4.1296	3.7071	2.4782	1.4566		1.4048	2.4782	2.8614	4.1296	4.5262	5.5047	6.0865	6.6818	6.9761	6.7256	6.7256	6.1565	5.8081	4.8536	4.6299	5.5047	5.5047	6.1565	5.8081	4.8536	4.6299	3.5896	3.5896	2.4782	2.8614	4.1296	4.5262	3.7071	2.4782	1.4566
C31	4.8536	5.8081	6.1565	5.5047	4.6299	3.5896	3.5896	4.6299	5.5047	6.1565	6.7256	6.7256	6.9761	6.6818	6.0865	5.5047	5.8081	6.5269	6.6818	6.9867	7.1266	6.9761	6.6818	6.0865	5.8081	4.8536	4.1296	2.8614	2.4782	1.4048		1.4566	2.4782	3.7071	4.5262	5.5047	5.8081	6.5269	6.6818	6.1565	6.1565	5.4178	5.2183	4.1296	3.5896	4.5262	4.5262	5.4178	5.2183	4.1296	3.5896	2.3569	2.3569	1.4566	2.4782	3.7071	4.5262	4.1296	2.8614	2.4782
C32	5.8081	6.5269	6.6818	6.0865	5.5047	4.5262	4.1296	4.8536	5.8081	6.1565	6.7256	6.9761	7.1266	6.9867	6.6818	6.1565	6.1565	6.6818	6.5269	6.6818	6.9761	6.7256	6.1565	5.5047	5.5047	4.6299	3.5896	2.4782	2.8614	2.4782	1.4566		1.4048	2.4782	3.5896	4.6299	4.8536	5.8081	6.0865	5.5047	5.8081	5.2183	5.4178	4.5262	3.5896	4.1296	3.7071	4.5262	4.1296	2.8614	2.4782	1.4566	2.3569	2.3569	3.5896	4.5262	5.4178	5.2183	4.1296	3.7071
C33	6.0865	6.6818	6.5269	5.8081	5.5047	4.5262	3.7071	4.1296	5.2183	5.4178	6.1565	6.6818	6.9867	7.1266	6.9761	6.7256	6.7256	6.9761	6.6818	6.5269	6.6818	6.1565	5.4178	4.5262	4.5262	3.5896	2.3569	1.4566	2.4782	2.8614	2.4782	1.4048		1.4566	2.3569	3.5896	4.1296	5.2183	5.8081	5.5047	6.0865	5.8081	6.1565	5.5047	4.6299	4.8536	4.1296	4.5262	3.7071	2.4782	2.8614	2.4782	3.5896	3.5896	4.6299	5.5047	6.1565	5.8081	4.8536	4.1296
C34	6.6818	6.9867	6.6818	6.1565	6.1565	5.4178	4.5262	4.5262	5.4178	5.2183	5.8081	6.5269	6.6818	6.9761	7.1266	6.9761	6.7256	6.7256	6.1565	5.8081	6.0865	5.5047	4.5262	3.7071	4.1296	3.5896	2.3569	2.3569	3.5896	4.1296	3.7071	2.4782	1.4566		1.4566	2.4782	2.8614	4.1296	4.8536	4.6299	5.5047	5.5047	6.1565	5.8081	4.8536	4.6299	3.5896	3.5896	2.4782	1.4048	2.4782	2.8614	4.1296	4.5262	5.5047	6.0865	6.6818	6.5269	5.8081	5.2183
C35	6.5269	6.6818	6.0865	5.5047	5.8081	5.2183	4.1296	3.7071	4.5262	4.1296	4.8536	5.8081	6.1565	6.7256	6.9761	7.1266	6.9761	6.7256	6.1565	5.5047	5.5047	4.6299	3.5896	2.4782	2.8614	2.4782	1.4566	2.3569	3.5896	4.5262	4.5262	3.5896	2.3569	1.4566		1.4048	2.4782	3.5896	4.6299	4.8536	5.8081	6.0865	6.6818	6.5269	5.8081	5.5047	4.5262	4.1296	2.8614	2.4782	3.7071	4.1296	5.2183	5.4178	6.1565	6.6818	6.9867	6.6818	6.1565	5.4178
C36	6.6818	6.5269	5.8081	5.5047	6.0865	5.8081	4.8536	4.1296	4.5262	3.7071	4.1296	5.2183	5.4178	6.1565	6.6818	6.9867	6.6818	6.1565	5.4178	4.5262	4.5262	3.5896	2.3569	1.4566	2.4782	2.8614	2.4782	3.5896	4.6299	5.5047	5.5047	4.6299	3.5896	2.4782	1.4048		1.4566	2.3569	3.5896	4.1296	5.2183	5.8081	6.5269	6.6818	6.0865	5.5047	4.5262	3.7071	2.4782	2.8614	4.1296	4.8536	5.8081	6.1565	6.7256	6.9761	7.1266	6.9761	6.7256	6.1565
C37	6.9867	6.6818	6.1565	6.1565	6.6818	6.5269	5.8081	5.2183	5.4178	4.5262	4.5262	5.4178	5.2183	5.8081	6.5269	6.6818	6.0865	5.5047	4.5262	3.7071	4.1296	3.5896	2.3569	2.3569	3.5896	4.1296	3.7071	4.5262	5.5047	6.0865	5.8081	4.8536	4.1296	2.8614	2.4782	1.4566		1.4566	2.4782	2.8614	4.1296	4.8536	5.8081	6.1565	5.5047	4.6299	3.5896	2.4782	1.4048	2.4782	3.5896	4.6299	5.5047	6.1565	6.7256	6.7256	6.9761	7.1266	6.9761	6.6818
C38	6.6818	6.0865	5.5047	5.8081	6.5269	6.6818	6.1565	5.4178	5.2183	4.1296	3.7071	4.5262	4.1296	4.8536	5.8081	6.1565	5.5047	4.6299	3.5896	2.4782	2.8614	2.4782	1.4566	2.3569	3.5896	4.5262	4.5262	5.4178	6.1565	6.6818	6.5269	5.8081	5.2183	4.1296	3.5896	2.3569	1.4566		1.4048	2.4782	3.5896	4.6299	5.5047	6.1565	5.8081	4.8536	4.1296	2.8614	2.4782	3.7071	4.5262	5.5047	6.0865	6.6818	6.9761	6.7256	6.7256	6.9761	7.1266	6.9867
C39	6.5269	5.8081	5.5047	6.0865	6.6818	6.9761	6.7256	6.1565	5.8081	4.8536	4.1296	4.5262	3.7071	4.1296	5.2183	5.4178	4.5262	3.5896	2.3569	1.4566	2.4782	2.8614	2.4782	3.5896	4.6299	5.5047	5.5047	6.1565	6.7256	6.9761	6.6818	6.0865	5.8081	4.8536	4.6299	3.5896	2.4782	1.4048		1.4566	2.3569	3.5896	4.5262	5.4178	5.2183	4.1296	3.7071	2.4782	2.8614	4.1296	4.5262	5.5047	5.8081	6.5269	6.6818	6.1565	6.1565	6.6818	6.9867	7.1266
C40	6.6818	6.1565	6.1565	6.6818	6.9867	7.1266	6.9761	6.6818	6.5269	5.8081	5.2183	5.4178	4.5262	4.5262	5.4178	5.2183	4.1296	3.5896	2.3569	2.3569	3.5896	4.1296	3.7071	4.5262	5.5047	6.0865	5.8081	6.1565	6.7256	6.7256	6.1565	5.5047	5.5047	4.6299	4.8536	4.1296	2.8614	2.4782	1.4566		1.4566	2.4782	3.7071	4.5262	4.1296	2.8614	2.4782	1.4048	2.4782	3.5896	3.5896	4.6299	4.8536	5.8081	6.0865	5.5047	5.8081	6.5269	6.6818	6.9761
C41	6.0865	5.5047	5.8081	6.5269	6.6818	6.9761	7.1266	6.9867	6.6818	6.1565	5.4178	5.2183	4.1296	3.7071	4.5262	4.1296	2.8614	2.4782	1.4566	2.3569	3.5896	4.5262	4.5262	5.4178	6.1565	6.6818	6.5269	6.6818	6.9761	6.7256	6.1565	5.8081	6.0865	5.5047	5.8081	5.2183	4.1296	3.5896	2.3569	1.4566		1.4048	2.4782	3.5896	3.5896	2.4782	2.8614	2.4782	3.7071	4.5262	4.1296	4.8536	4.6299	5.5047	5.5047	4.6299	4.8536	5.8081	6.1565	6.7256
C42	5.8081	5.5047	6.0865	6.6818	6.5269	6.6818	6.9867	7.1266	6.9761	6.7256	6.1565	5.8081	4.8536	4.1296	4.5262	3.7071	2.4782	2.8614	2.4782	3.5896	4.6299	5.5047	5.5047	6.1565	6.7256	6.9761	6.6818	6.5269	6.6818	6.1565	5.4178	5.2183	5.8081	5.5047	6.0865	5.8081	4.8536	4.6299	3.5896	2.4782	1.4048		1.4566	2.3569	2.3569	1.4566	2.4782	2.8614	4.1296	4.5262	3.7071	4.1296	3.5896	4.5262	4.5262	3.5896	4.1296	5.2183	5.4178	6.1565
C43	4.8536	4.6299	5.5047	6.1565	5.8081	6.0865	6.6818	6.9761	6.7256	6.7256	6.1565	5.5047	4.6299	3.5896	3.5896	2.4782	1.4048	2.4782	2.8614	4.1296	4.8536	5.8081	6.0865	6.6818	6.9761	7.1266	6.9867	6.6818	6.5269	5.8081	5.2183	5.4178	6.1565	6.1565	6.6818	6.5269	5.8081	5.5047	4.5262	3.7071	2.4782	1.4566		1.4566	2.3569	2.3569	3.5896	4.1296	5.2183	5.4178	4.5262	4.5262	3.5896	4.1296	3.7071	2.4782	2.8614	4.1296	4.5262	5.5047
C44	4.6299	4.8536	5.8081	6.1565	5.5047	5.5047	6.1565	6.7256	6.7256	6.9761	6.6818	6.0865	5.5047	4.5262	4.1296	2.8614	2.4782	3.7071	4.1296	5.2183	5.8081	6.5269	6.6818	6.9867	7.1266	6.9761	6.6818	6.0865	5.8081	4.8536	4.1296	4.5262	5.5047	5.8081	6.5269	6.6818	6.1565	6.1565	5.4178	4.5262	3.5896	2.3569	1.4566		1.4566	2.3569	3.5896	4.5262	5.4178	5.2183	4.1296	3.7071	2.4782	2.8614	2.4782	1.4048	2.4782	3.5896	3.5896	4.6299
C45	5.5047	5.8081	6.5269	6.6818	6.0865	5.8081	6.1565	6.7256	6.9761	7.1266	6.9867	6.6818	6.1565	5.4178	5.2183	4.1296	3.5896	4.5262	4.5262	5.4178	6.1565	6.6818	6.5269	6.6818	6.9761	6.7256	6.1565	5.5047	5.5047	4.6299	3.5896	3.5896	4.6299	4.8536	5.8081	6.0865	5.5047	5.8081	5.2183	4.1296	3.5896	2.3569	2.3569	1.4566		1.4566	2.4782	3.7071	4.5262	4.1296	2.8614	2.4782	1.4048	2.4782	2.8614	2.4782	3.7071	4.5262	4.1296	4.8536
C46	6.1565	6.1565	6.6818	6.9867	6.6818	6.5269	6.6818	6.9761	7.1266	6.9761	6.6818	6.5269	5.8081	5.2183	5.4178	4.5262	3.5896	4.1296	3.7071	4.5262	5.5047	6.0865	5.8081	6.1565	6.7256	6.7256	6.1565	5.8081	6.0865	5.5047	4.5262	4.1296	4.8536	4.6299	5.5047	5.5047	4.6299	4.8536	4.1296	2.8614	2.4782	1.4566	2.3569	2.3569	1.4566		1.4048	2.4782	3.5896	3.5896	2.4782	2.8614	2.4782	3.7071	4.1296	3.5896	4.5262	5.4178	5.2183	5.8081
C47	6.7256	6.7256	6.9761	7.1266	6.9761	6.6818	6.5269	6.6818	6.9867	6.6818	6.5269	6.6818	6.0865	5.8081	6.1565	5.5047	4.6299	4.8536	4.1296	4.5262	5.5047	5.8081	5.2183	5.4178	6.1565	6.1565	5.4178	5.2183	5.8081	5.5047	4.5262	3.7071	4.1296	3.5896	4.5262	4.5262	3.5896	4.1296	3.7071	2.4782	2.8614	2.4782	3.5896	3.5896	2.4782	1.4048		1.4566	2.3569	2.3569	1.4566	2.4782	2.8614	4.1296	4.8536	4.6299	5.5047	6.1565	5.8081	6.0865
C48	6.9761	6.7256	6.7256	6.9761	7.1266	6.9867	6.6818	6.5269	6.6818	6.0865	5.8081	6.1565	5.5047	5.5047	6.1565	5.8081	4.8536	4.6299	3.5896	3.5896	4.6299	4.8536	4.1296	4.5262	5.5047	5.8081	5.2183	5.4178	6.1565	6.1565	5.4178	4.5262	4.5262	3.5896	4.1296	3.7071	2.4782	2.8614	2.4782	1.4048	2.4782	2.8614	4.1296	4.5262	3.7071	2.4782	1.4566		1.4566	2.3569	2.3569	3.5896	4.1296	5.2183	5.8081	5.5047	6.0865	6.6818	6.5269	6.6818
C49	7.1266	6.9761	6.7256	6.7256	6.9761	6.6818	6.0865	5.8081	6.1565	5.5047	5.5047	6.1565	5.8081	6.0865	6.6818	6.5269	5.8081	5.5047	4.5262	4.1296	4.8536	4.6299	3.5896	3.5896	4.6299	4.8536	4.1296	4.5262	5.5047	5.8081	5.2183	4.1296	3.7071	2.4782	2.8614	2.4782	1.4048	2.4782	2.8614	2.4782	3.7071	4.1296	5.2183	5.4178	4.5262	3.5896	2.3569	1.4566		1.4566	2.3569	3.5896	4.5262	5.4178	6.1565	6.1565	6.6818	6.9867	6.6818	6.5269
C50	6.9761	7.1266	6.9761	6.7256	6.7256	6.1565	5.5047	5.5047	6.1565	5.8081	6.0865	6.6818	6.5269	6.6818	6.9867	6.6818	6.1565	6.1565	5.4178	5.2183	5.8081	5.5047	4.5262	4.1296	4.8536	4.6299	3.5896	3.5896	4.6299	4.8536	4.1296	2.8614	2.4782	1.4048	2.4782	2.8614	2.4782	3.7071	4.1296	3.5896	4.5262	4.5262	5.4178	5.2183	4.1296	3.5896	2.3569	2.3569	1.4566		1.4566	2.4782	3.7071	4.5262	5.5047	5.8081	6.5269	6.6818	6.0865	5.8081
C51	6.7256	6.9761	7.1266	6.9761	6.7256	6.1565	5.8081	6.0865	6.6818	6.5269	6.6818	6.9867	6.6818	6.5269	6.6818	6.0865	5.5047	5.8081	5.2183	5.4178	6.1565	6.1565	5.4178	5.2183	5.8081	5.5047	4.5262	4.1296	4.8536	4.6299	3.5896	2.4782	2.8614	2.4782	3.7071	4.1296	3.5896	4.5262	4.5262	3.5896	4.1296	3.7071	4.5262	4.1296	2.8614	2.4782	1.4566	2.3569	2.3569	1.4566		1.4048	2.4782	3.5896	4.6299	4.8536	5.8081	6.1565	5.5047	5.5047
C52	6.1565	6.6818	6.9867	6.6818	6.1565	5.4178	5.2183	5.8081	6.5269	6.6818	6.9761	7.1266	6.9761	6.6818	6.5269	5.8081	5.5047	6.0865	5.8081	6.1565	6.7256	6.7256	6.1565	5.8081	6.0865	5.5047	4.5262	3.7071	4.1296	3.5896	2.3569	1.4566	2.4782	2.8614	4.1296	4.8536	4.6299	5.5047	5.5047	4.6299	4.8536	4.1296	4.5262	3.7071	2.4782	2.8614	2.4782	3.5896	3.5896	2.4782	1.4048		1.4566	2.3569	3.5896	4.1296	5.2183	5.4178	4.5262	4.5262
C53	5.5047	6.0865	6.6818	6.5269	5.8081	5.2183	5.4178	6.1565	6.6818	6.9867	7.1266	6.9761	6.7256	6.1565	5.8081	4.8536	4.6299	5.5047	5.5047	6.1565	6.7256	6.9761	6.6818	6.5269	6.6818	6.1565	5.4178	4.5262	4.5262	3.5896	2.3569	2.3569	3.5896	4.1296	5.2183	5.8081	5.5047	6.0865	5.8081	4.8536	4.6299	3.5896	3.5896	2.4782	1.4048	2.4782	2.8614	4.1296	4.5262	3.7071	2.4782	1.4566		1.4566	2.4782	2.8614	4.1296	4.5262	3.7071	4.1296
C54	4.6299	5.5047	6.1565	5.8081	4.8536	4.1296	4.5262	5.5047	6.0865	6.6818	6.9761	6.7256	6.7256	6.1565	5.5047	4.6299	4.8536	5.8081	6.0865	6.6818	6.9761	7.1266	6.9867	6.6818	6.5269	5.8081	5.2183	4.1296	3.7071	2.4782	1.4566	2.3569	3.5896	4.5262	5.4178	6.1565	6.1565	6.6818	6.5269	5.8081	5.5047	4.5262	4.1296	2.8614	2.4782	3.7071	4.1296	5.2183	5.4178	4.5262	3.5896	2.3569	1.4566		1.4048	2.4782	3.5896	3.5896	2.4782	2.8614
C55	3.5896	4.5262	5.4178	5.2183	4.1296	3.7071	4.5262	5.5047	5.8081	6.5269	6.6818	6.1565	6.1565	5.4178	4.5262	3.5896	4.1296	5.2183	5.8081	6.5269	6.6818	6.9867	7.1266	6.9761	6.6818	6.0865	5.8081	4.8536	4.1296	2.8614	2.4782	3.5896	4.6299	5.5047	6.1565	6.7256	6.7256	6.9761	6.6818	6.0865	5.5047	4.5262	3.7071	2.4782	2.8614	4.1296	4.8536	5.8081	6.1565	5.5047	4.6299	3.5896	2.4782	1.4048		1.4566	2.3569	2.3569	1.4566	2.4782
C56	3.5896	4.1296	5.2183	5.4178	4.5262	4.5262	5.4178	6.1565	6.1565	6.6818	6.5269	5.8081	5.5047	4.5262	3.7071	2.4782	2.8614	4.1296	4.8536	5.8081	6.0865	6.6818	6.9761	7.1266	6.9867	6.6818	6.5269	5.8081	5.2183	4.1296	3.7071	4.5262	5.5047	6.0865	6.6818	6.9761	6.7256	6.7256	6.1565	5.5047	4.6299	3.5896	2.4782	1.4048	2.4782	3.5896	4.6299	5.5047	6.1565	5.8081	4.8536	4.1296	2.8614	2.4782	1.4566		1.4566	2.3569	2.3569	3.5896
C57	2.4782	2.8614	4.1296	4.5262	3.7071	4.1296	5.2183	5.8081	5.5047	6.0865	5.8081	4.8536	4.6299	3.5896	2.4782	1.4048	2.4782	3.5896	4.6299	5.5047	5.5047	6.1565	6.7256	6.9761	6.6818	6.5269	6.6818	6.1565	5.4178	4.5262	4.5262	5.4178	6.1565	6.6818	6.9867	7.1266	6.9761	6.7256	6.1565	5.8081	4.8536	4.1296	2.8614	2.4782	3.7071	4.5262	5.5047	6.0865	6.6818	6.5269	5.8081	5.2183	4.1296	3.5896	2.3569	1.4566		1.4566	2.3569	3.5896
C58	1.4048	2.4782	3.5896	3.5896	2.4782	2.8614	4.1296	4.8536	4.6299	5.5047	5.5047	4.6299	4.8536	4.1296	2.8614	2.4782	3.7071	4.5262	5.5047	6.0865	5.8081	6.1565	6.7256	6.7256	6.1565	5.8081	6.0865	5.5047	4.5262	3.7071	4.1296	5.2183	5.8081	6.5269	6.6818	6.9761	7.1266	6.9761	6.6818	6.5269	5.8081	5.2183	4.1296	3.5896	4.5262	5.4178	6.1565	6.6818	6.9867	6.6818	6.1565	5.4178	4.5262	3.5896	2.3569	2.3569	1.4566		1.4566	2.4782
C59	2.4782	3.7071	4.5262	4.1296	2.8614	2.4782	3.5896	4.6299	4.8536	5.8081	6.0865	5.5047	5.8081	5.2183	4.1296	3.5896	4.5262	5.4178	6.1565	6.6818	6.5269	6.6818	6.9761	6.7256	6.1565	5.5047	5.5047	4.6299	3.5896	2.4782	2.8614	4.1296	4.8536	5.8081	6.1565	6.7256	6.9761	7.1266	6.9867	6.6818	6.1565	5.4178	4.5262	3.5896	4.1296	5.2183	5.8081	6.5269	6.6818	6.0865	5.5047	4.5262	3.7071	2.4782	1.4566	2.3569	2.3569	1.4566		1.4048
C60	2.8614	4.1296	4.5262	3.7071	2.4782	1.4566	2.3569	3.5896	4.1296	5.2183	5.8081	5.5047	6.0865	5.8081	4.8536	4.6299	5.5047	6.1565	6.7256	6.9761	6.6818	6.5269	6.6818	6.1565	5.4178	4.5262	4.5262	3.5896	2.3569	1.4566	2.4782	3.7071	4.1296	5.2183	5.4178	6.1565	6.6818	6.9867	7.1266	6.9761	6.7256	6.1565	5.5047	4.6299	4.8536	5.8081	6.0865	6.6818	6.5269	5.8081	5.5047	4.5262	4.1296	2.8614	2.4782	3.5896	3.5896	2.4782	1.4048

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 PBEPBEultrafine/6-31G* 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 -324.021 0.000 0.000 y 0.000 -324.021 0.000 z 0.000 0.000 -324.021

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	71.670	0.000	0.000
y	0.000	71.670	0.000
z	0.000	0.000	71.670

<r²> (average value of r²) Ų

<r2>	4773.293
(<r2>)1/2	69.089