All results from a given calculation for C₆₀ (Buckminsterfullerene)

Energy calculated at B3LYP/6-31+G**

	hartrees
Energy at 0K	-2286.222096
Energy at 298.15K	-2286.220656
HF Energy	-2286.222096
Nuclear repulsion energy	8322.904114

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 B3LYP/6-31+G**

Mode Number	Symmetry	Frequency (cm-1)	Scaled Frequency (cm-1)	IR Intensities (km mol-1)	Raman Act (Å4/u)	Dep P	Dep U
1	?a	1614	1556	0.00
2	?a	1614	1556	0.00
3	?a	1614	1556	0.00
4	?a	1613	1555	0.00
4	?a	1613	1555	0.00
4	?a	1534	1479	0.00
5	?a	1534	1479	0.00
5	?a	1534	1479	0.00
5	?a	1534	1479	0.00
6	?a	1501	1447	0.00
6	?a	1452	1400	0.00
6	?a	1452	1400	0.00
7	?a	1452	1400	0.00
7	?a	1452	1400	0.00
7	?a	1451	1399	0.00
8	?a	1370	1321	0.00
8	?a	1369	1320	0.00
8	?a	1369	1320	0.00
9	?a	1334	1286	0.00
9	?a	1333	1285	0.00
9	?a	1333	1285	0.00
10	?a	1333	1285	0.00
10	?a	1300	1254	0.00
10	?a	1300	1254	0.00
11	?a	1300	1254	0.00
11	?a	1275	1229	0.00
11	?a	1274	1229	0.00
12	?a	1274	1228	0.00
12	?a	1273	1228	0.00
12	?a	1273	1228	0.00
13	?a	1125	1085	0.00
13	?a	1125	1084	0.00
13	?a	1124	1084	0.00
14	?a	1124	1084	0.00
14	?a	1124	1084	0.00
14	?a	1094	1054	0.00
15	?a	1093	1054	0.00
15	?a	1093	1054	0.00
15	?a	1093	1054	0.00
16	?a	841	811	0.00
16	?a	841	811	0.00
16	?a	841	811	0.00
17	?a	806	777	0.00
17	?a	806	777	0.00
17	?a	805	776	0.00
18	?a	786	758	0.00
18	?a	786	758	0.00
81	?a	786	758	0.00
19	?a	786	758	0.00
19	?a	786	757	0.00
19	?a	751	724	0.00
20	?a	751	724	0.00
20	?a	750	723	0.00
20	?a	748	721	0.00
20	?a	743	716	0.00
21	?a	741	715	0.00
21	?a	740	714	0.00
21	?a	718	693	0.00
21	?a	718	692	0.00
22	?a	717	691	0.00
22	?a	715	690	0.00
22	?a	715	690	0.00
22	?a	577	556	0.00
23	?a	576	556	0.00
23	?a	576	555	0.00
23	?a	576	555	0.00
23	?a	573	553	0.00
24	?a	572	551	0.00
24	?a	570	550	0.00
24	?a	567	546	0.00
24	?a	566	546	0.00
25	?a	566	546	0.00
25	?a	496	478	0.00
25	?a	488	471	0.00
25	?a	488	470	0.00
26	?a	487	470	0.00
26	?a	487	470	0.00
26	?a	438	422	0.00
26	?a	437	422	0.00
27	?a	437	421	0.00
27	?a	436	420	0.00
27	?a	435	420	0.00
27	?a	266	256	0.00
28	?a	265	256	0.00
28	?a	265	256	0.00
28	?a	265	256	0.00
28	?a	265	256	0.00
29	?b	1605	1547	0.00
29	?b	1604	1547	0.00
29	?b	1604	1547	0.00
29	?b	1604	1546	0.00
30	?b	1604	1546	0.00
30	?b	1563	1507	0.00
30	?b	1562	1507	0.00
30	?b	1562	1506	0.00
31	?b	1461	1409	0.01
31	?b	1461	1409	0.07
31	?b	1461	1409	0.24
31	?b	1461	1409	0.02
32	?b	1458	1406	18.34
32	?b	1458	1406	18.41
32	?b	1457	1405	18.28
32	?b	1369	1320	0.00
32	?b	1369	1320	0.00
33	?b	1368	1319	0.00
33	?b	1368	1319	0.00
33	?b	1368	1319	0.00
33	?b	1333	1285	0.00
33	?b	1332	1285	0.00
34	?b	1332	1285	0.00
34	?b	1332	1284	0.00
34	?b	1243	1199	0.00
34	?b	1243	1198	0.00
34	?b	1242	1198	0.00
35	?b	1242	1198	0.00
35	?b	1242	1197	0.00
35	?b	1212	1169	9.82
35	?b	1211	1168	9.84
35	?b	1211	1168	9.85
36	?b	1200	1157	0.01
36	?b	1200	1157	0.00
36	?b	1199	1156	0.00
36	?b	981	946	0.00
36	?b	981	946	0.00
37	?b	980	945	0.00
37	?b	980	945	0.00
37	?b	977	942	0.00
37	?b	977	942	0.00
37	?b	976	941	0.00
38	?b	967	933	0.00
38	?b	765	738	0.00
38	?b	765	737	0.00
38	?b	764	737	0.00
38	?b	764	737	0.00
39	?b	741	714	0.00
39	?b	740	713	0.00
39	?b	740	713	0.00
39	?b	738	712	0.00
39	?b	736	709	0.00
40	?b	735	709	0.00
40	?b	735	709	0.00
40	?b	734	708	0.00
40	?b	733	706	0.00
40	?b	726	700	0.00
41	?b	726	700	0.00
41	?b	723	697	0.00
41	?b	678	654	0.00
41	?b	678	654	0.00
41	?b	678	653	0.00
42	?b	677	653	0.00
42	?b	677	653	0.00
42	?b	587	566	16.35
42	?b	587	566	16.22
42	?b	587	566	16.35
43	?b	541	522	12.39
43	?b	540	521	18.53
43	?b	540	521	19.26
43	?b	539	520	1.58
43	?b	538	519	17.94
44	?b	538	519	3.99
44	?b	537	518	11.12
44	?b	537	517	5.10
44	?b	408	393	0.00
44	?b	408	393	0.00
45	?b	408	393	0.00
45	?b	408	393	0.00
45	?b	408	393	0.00
45	?b	358	345	0.00
45	?b	357	344	0.00
46	?b	356	344	0.00
46	?b	356	343	0.00
46	?b	344	331	0.00
46	?b	342	330	0.00
46	?b	342	330	0.00

Unscaled Zero Point Vibrational Energy (zpe) 82095.8 cm^-1
Scaled (by 0.9642) Zero Point Vibrational Energy (zpe) 79156.8 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 B3LYP/6-31+G**

A	B	C
0.00278	0.00278	0.00278

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

Geometric Data calculated at B3LYP/6-31+G**

Point Group is I_h

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.237	3.329
C2	-1.176	0.382	3.329
C3	-0.727	-1.001	3.329
C4	0.727	-1.001	3.329
C5	1.176	0.382	3.329
C6	2.306	0.749	2.595
C7	3.033	-0.251	1.831
C8	2.602	-1.579	1.831
C9	1.425	-1.962	2.595
C10	0.698	-2.962	1.831
C11	-0.698	-2.962	1.831
C12	-1.425	-1.962	2.595
C13	-2.602	-1.579	1.831
C14	-3.033	-0.251	1.831
C15	-2.306	0.749	2.595
C16	-2.306	1.986	1.831
C17	-3.033	1.750	0.594
C18	-3.482	0.367	0.594
C19	-3.482	-0.367	-0.594
C20	-3.033	-1.750	-0.594
C21	-2.602	-2.344	0.594
C22	-1.425	-3.198	0.594
C23	-0.727	-3.425	-0.594
C24	0.727	-3.425	-0.594
C25	1.425	-3.198	0.594
C26	2.602	-2.344	0.594
C27	3.033	-1.750	-0.594
C28	3.482	-0.367	-0.594
C29	3.482	0.367	0.594
C30	3.033	1.750	0.594
C31	2.602	2.344	-0.594
C32	2.602	1.579	-1.831
C33	3.033	0.251	-1.831
C34	2.306	-0.749	-2.595
C35	2.306	-1.986	-1.831
C36	1.176	-2.807	-1.831
C37	0.000	-2.425	-2.595
C38	-1.176	-2.807	-1.831
C39	-2.306	-1.986	-1.831
C40	-2.306	-0.749	-2.595
C41	-3.033	0.251	-1.831
C42	-2.602	1.579	-1.831
C43	-2.602	2.344	-0.594
C44	-1.425	3.198	-0.594
C45	-0.698	2.962	-1.831
C46	-1.425	1.962	-2.595
C47	-0.727	1.001	-3.329
C48	-1.176	-0.382	-3.329
C49	0.000	-1.237	-3.329
C50	1.176	-0.382	-3.329
C51	0.727	1.001	-3.329
C52	1.425	1.962	-2.595
C53	0.698	2.962	-1.831
C54	1.425	3.198	-0.594
C55	0.727	3.425	0.594
C56	-0.727	3.425	0.594
C57	-1.176	2.807	1.831
C58	0.000	2.425	2.595
C59	1.176	2.807	1.831
C60	2.306	1.986	1.831

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		1.4540	2.3527	2.3527	1.4540	2.4686	3.6959	4.1164	3.5777	4.5128	4.5128	3.5777	4.1164	3.6959	2.4686	2.8504	4.1164	4.5128	5.4855	5.7889	5.2030	5.4024	6.1364	6.1364	5.4024	5.2030	5.7889	5.4855	4.5128	4.1164	4.8357	5.7889	6.0660	6.6604	6.5062	6.6604	6.9646	6.6604	6.5062	6.6604	6.0660	5.7889	4.8357	4.6120	5.4855	6.1364	6.7023	6.9528	7.1032	6.9528	6.7023	6.1364	5.4855	4.6120	3.5777	3.5777	2.4686	1.3963	2.4686	2.8504
C2	1.4540		1.4540	2.3527	2.3527	3.5777	4.5128	4.5128	3.5777	4.1164	3.6959	2.4686	2.8504	2.4686	1.3963	2.4686	3.5777	3.5777	4.6120	4.8357	4.1164	4.5128	5.4855	5.7889	5.2030	5.4024	6.1364	6.1364	5.4024	5.2030	5.7889	6.5062	6.6604	6.9646	6.6604	6.5062	6.6604	6.0660	5.7889	6.1364	5.4855	5.4855	4.6120	4.8357	5.7889	6.1364	6.7023	6.7023	6.9528	7.1032	6.9528	6.6604	6.0660	5.4855	4.5128	4.1164	2.8504	2.4686	3.6959	4.1164
C3	2.3527	1.4540		1.4540	2.3527	3.5777	4.1164	3.6959	2.4686	2.8504	2.4686	1.3963	2.4686	2.8503	2.4686	3.6959	4.5128	4.1164	4.8357	4.6120	3.5777	3.5777	4.6120	4.8357	4.1164	4.5128	5.4855	5.7889	5.2030	5.4024	6.1364	6.6604	6.5062	6.6604	6.0660	5.7889	6.1364	5.4855	5.4855	6.1364	5.7889	6.0660	5.4855	5.7889	6.5062	6.6604	6.9528	6.7023	6.7023	6.9528	7.1032	6.9646	6.6604	6.1364	5.4024	5.2030	4.1164	3.5777	4.5128	4.5128
C4	2.3527	2.3527	1.4540		1.4540	2.4686	2.8503	2.4686	1.3963	2.4686	2.8504	2.4686	3.6959	4.1164	3.5777	4.5128	5.4024	5.2030	5.7889	5.4855	4.5128	4.1164	4.8357	4.6120	3.5777	3.5777	4.6120	4.8357	4.1164	4.5128	5.4855	6.0660	5.7889	6.1364	5.4855	5.4855	6.1364	5.7889	6.0660	6.6604	6.5062	6.6604	6.1364	6.1364	6.6604	6.9646	7.1032	6.9528	6.7023	6.7023	6.9528	6.6604	6.5062	5.7889	5.2030	5.4024	4.5128	3.5777	4.1164	3.6959
C5	1.4540	2.3527	2.3527	1.4540		1.3963	2.4686	2.8504	2.4686	3.6959	4.1164	3.5777	4.5128	4.5128	3.5777	4.1164	5.2030	5.4024	6.1364	6.1364	5.4024	5.2030	5.7889	5.4855	4.5128	4.1164	4.8357	4.6120	3.5777	3.5777	4.6120	5.4855	5.4855	6.1364	5.7889	6.0660	6.6604	6.5062	6.6604	6.9646	6.6604	6.5062	5.7889	5.4855	6.0660	6.6604	6.9528	7.1032	6.9528	6.7023	6.7023	6.1364	5.7889	4.8357	4.1164	4.5128	3.6959	2.4686	2.8504	2.4686
C6	2.4686	3.5777	3.5777	2.4686	1.3963		1.4540	2.4686	2.8504	4.1164	4.8357	4.6120	5.4855	5.4855	4.6120	4.8357	5.7889	6.1364	6.7023	6.7023	6.1364	5.7889	6.0660	5.4855	4.5128	3.6959	4.1164	3.5777	2.3527	2.3527	3.5777	4.5128	4.5128	5.4024	5.2030	5.7889	6.5062	6.6604	6.9528	7.1032	6.9528	6.6604	6.0660	5.4855	5.7889	6.5062	6.6604	6.9646	6.6604	6.1364	6.1364	5.4024	5.2030	4.1164	3.6959	4.5128	4.1164	2.8504	2.4686	1.4540
C7	3.6959	4.5128	4.1164	2.8503	2.4686	1.4540		1.3963	2.4686	3.5777	4.6120	4.8357	5.7889	6.0660	5.4855	5.7889	6.5062	6.6604	6.9528	6.7023	6.1364	5.4855	5.4855	4.6120	3.5777	2.4686	2.8503	2.4686	1.4540	2.3527	3.5777	4.1164	3.6959	4.5128	4.1164	4.8357	5.7889	6.1364	6.7023	6.9528	7.1032	6.9646	6.6604	6.1364	6.1364	6.6604	6.5062	6.6604	6.0660	5.4855	5.7889	5.2030	5.4024	4.5128	4.5128	5.4024	5.2030	4.1164	3.5777	2.3527
C8	4.1164	4.5128	3.6959	2.4686	2.8504	2.4686	1.3963		1.4540	2.3527	3.5777	4.1164	5.2030	5.7889	5.4855	6.0660	6.6604	6.5062	6.6604	6.1364	5.4024	4.5128	4.5128	3.5777	2.3527	1.4540	2.4686	2.8503	2.4686	3.5777	4.6120	4.8357	4.1164	4.5128	3.6959	4.1164	5.2030	5.4024	6.1364	6.6604	6.9646	7.1032	6.9528	6.7023	6.7023	6.9528	6.6604	6.5062	5.7889	5.4855	6.0660	5.7889	6.1364	5.4855	5.4855	6.1364	5.7889	4.8357	4.6120	3.5777
C9	3.5777	3.5777	2.4686	1.3963	2.4686	2.8504	2.4686	1.4540		1.4540	2.4686	2.8504	4.1164	4.8357	4.6120	5.4855	6.1364	5.7889	6.0660	5.4855	4.5128	3.6959	4.1164	3.5777	2.3527	2.3527	3.5777	4.1164	3.6959	4.5128	5.4855	5.7889	5.2030	5.4024	4.5128	4.5128	5.4024	5.2030	5.7889	6.5062	6.6604	6.9528	6.7023	6.7023	6.9528	7.1032	6.9646	6.6604	6.1364	6.1364	6.6604	6.5062	6.6604	6.0660	5.7889	6.1364	5.4855	4.6120	4.8357	4.1164
C10	4.5128	4.1164	2.8504	2.4686	3.6959	4.1164	3.5777	2.3527	1.4540		1.3963	2.4686	3.5777	4.6120	4.8357	5.7889	6.1364	5.4855	5.4855	4.6120	3.5777	2.4686	2.8503	2.4686	1.4540	2.3527	3.5777	4.5128	4.5128	5.4024	6.1364	6.1364	5.4024	5.2030	4.1164	3.6959	4.5128	4.1164	4.8357	5.7889	6.1364	6.7023	6.7023	6.9528	7.1032	6.9528	6.6604	6.0660	5.4855	5.7889	6.5062	6.6604	6.9646	6.6604	6.5062	6.6604	6.0660	5.4855	5.7889	5.2030
C11	4.5128	3.6959	2.4686	2.8504	4.1164	4.8357	4.6120	3.5777	2.4686	1.3963		1.4540	2.3527	3.5777	4.1164	5.2030	5.4024	4.5128	4.5128	3.5777	2.3527	1.4540	2.4686	2.8503	2.4686	3.5777	4.6120	5.4855	5.4855	6.1364	6.7023	6.7023	6.1364	5.7889	4.8357	4.1164	4.5128	3.6959	4.1164	5.2030	5.4024	6.1364	6.1364	6.6604	6.9646	6.6604	6.5062	5.7889	5.4855	6.0660	6.6604	6.9528	7.1032	6.9528	6.6604	6.5062	5.7889	5.4855	6.0660	5.7889
C12	3.5777	2.4686	1.3963	2.4686	3.5777	4.6120	4.8357	4.1164	2.8504	2.4686	1.4540		1.4540	2.4686	2.8504	4.1164	4.5128	3.6959	4.1164	3.5777	2.3527	2.3527	3.5777	4.1164	3.6959	4.5128	5.4855	6.0660	5.7889	6.1364	6.7023	6.9528	6.6604	6.5062	5.7889	5.2030	5.4024	4.5128	4.5128	5.4024	5.2030	5.7889	5.4855	6.0660	6.6604	6.5062	6.6604	6.1364	6.1364	6.6604	6.9646	7.1032	6.9528	6.7023	6.1364	5.7889	4.8357	4.6120	5.4855	5.4855
C13	4.1164	2.8504	2.4686	3.6959	4.5128	5.4855	5.7889	5.2030	4.1164	3.5777	2.3527	1.4540		1.3963	2.4686	3.5777	3.5777	2.4686	2.8503	2.4686	1.4540	2.3527	3.5777	4.5128	4.5128	5.4024	6.1364	6.6604	6.5062	6.6604	6.9528	7.1032	6.9646	6.6604	6.1364	5.4024	5.2030	4.1164	3.6959	4.5128	4.1164	4.8357	4.6120	5.4855	6.1364	5.7889	6.0660	5.4855	5.7889	6.5062	6.6604	6.9528	6.7023	6.7023	6.1364	5.4855	4.6120	4.8357	5.7889	6.0660
C14	3.6959	2.4686	2.8503	4.1164	4.5128	5.4855	6.0660	5.7889	4.8357	4.6120	3.5777	2.4686	1.3963		1.4540	2.3527	2.3527	1.4540	2.4686	2.8503	2.4686	3.5777	4.6120	5.4855	5.4855	6.1364	6.7023	6.9528	6.6604	6.5062	6.6604	6.9646	7.1032	6.9528	6.7023	6.1364	5.7889	4.8357	4.1164	4.5128	3.6959	4.1164	3.5777	4.5128	5.4024	5.2030	5.7889	5.4855	6.0660	6.6604	6.5062	6.6604	6.1364	6.1364	5.4024	4.5128	3.5777	4.1164	5.2030	5.7889
C15	2.4686	1.3963	2.4686	3.5777	3.5777	4.6120	5.4855	5.4855	4.6120	4.8357	4.1164	2.8504	2.4686	1.4540		1.4540	2.3527	2.3527	3.5777	4.1164	3.6959	4.5128	5.4855	6.0660	5.7889	6.1364	6.7023	6.7023	6.1364	5.7889	6.0660	6.6604	6.9528	7.1032	6.9528	6.6604	6.5062	5.7889	5.2030	5.4024	4.5128	4.5128	3.5777	4.1164	5.2030	5.4024	6.1364	6.1364	6.6604	6.9646	6.6604	6.5062	5.7889	5.4855	4.5128	3.6959	2.4686	2.8504	4.1164	4.8357
C16	2.8504	2.4686	3.6959	4.5128	4.1164	4.8357	5.7889	6.0660	5.4855	5.7889	5.2030	4.1164	3.5777	2.3527	1.4540		1.4540	2.3527	3.5777	4.5128	4.5128	5.4024	6.1364	6.6604	6.5062	6.6604	6.9528	6.7023	6.1364	5.4855	5.4855	6.1364	6.7023	6.9528	7.1032	6.9646	6.6604	6.1364	5.4024	5.2030	4.1164	3.6959	2.4686	2.8503	4.1164	4.5128	5.4855	5.7889	6.5062	6.6604	6.0660	5.7889	4.8357	4.6120	3.5777	2.4686	1.3963	2.4686	3.5777	4.6120
C17	4.1164	3.5777	4.5128	5.4024	5.2030	5.7889	6.5062	6.6604	6.1364	6.1364	5.4024	4.5128	3.5777	2.3527	2.3527	1.4540		1.4540	2.4686	3.6959	4.1164	5.2030	5.7889	6.5062	6.6604	6.9646	7.1032	6.9528	6.6604	6.0660	5.7889	6.1364	6.7023	6.7023	6.9528	6.6604	6.0660	5.4855	4.5128	4.1164	2.8503	2.4686	1.3963	2.4686	3.5777	3.5777	4.6120	4.8357	5.7889	6.1364	5.4855	5.4855	4.6120	4.8357	4.1164	2.8503	2.4686	3.6959	4.5128	5.4855
C18	4.5128	3.5777	4.1164	5.2030	5.4024	6.1364	6.6604	6.5062	5.7889	5.4855	4.5128	3.6959	2.4686	1.4540	2.3527	2.3527	1.4540		1.3963	2.4686	2.8504	4.1164	4.8357	5.7889	6.0660	6.6604	6.9528	7.1032	6.9646	6.6604	6.5062	6.6604	6.9528	6.7023	6.7023	6.1364	5.4855	4.6120	3.5777	3.5777	2.4686	2.8503	2.4686	3.6959	4.5128	4.1164	4.8357	4.6120	5.4855	6.1364	5.7889	6.0660	5.4855	5.7889	5.2030	4.1164	3.5777	4.5128	5.4024	6.1364
C19	5.4855	4.6120	4.8357	5.7889	6.1364	6.7023	6.9528	6.6604	6.0660	5.4855	4.5128	4.1164	2.8503	2.4686	3.5777	3.5777	2.4686	1.3963		1.4540	2.4686	3.6959	4.1164	5.2030	5.7889	6.5062	6.6604	6.9646	7.1032	6.9528	6.6604	6.5062	6.6604	6.1364	6.1364	5.4024	4.5128	3.5777	2.3527	2.3527	1.4540	2.4686	2.8504	4.1164	4.5128	3.6959	4.1164	3.5777	4.5128	5.4024	5.2030	5.7889	5.4855	6.0660	5.7889	4.8357	4.6120	5.4855	6.1364	6.7023
C20	5.7889	4.8357	4.6120	5.4855	6.1364	6.7023	6.7023	6.1364	5.4855	4.6120	3.5777	3.5777	2.4686	2.8503	4.1164	4.5128	3.6959	2.4686	1.4540		1.3963	2.4686	2.8503	4.1164	4.8357	5.7889	6.0660	6.6604	6.9528	7.1032	6.9646	6.6604	6.5062	5.7889	5.4855	4.5128	3.6959	2.4686	1.4540	2.3527	2.3527	3.5777	4.1164	5.2030	5.4024	4.5128	4.5128	3.5777	4.1164	5.2030	5.4024	6.1364	6.1364	6.6604	6.5062	5.7889	5.4855	6.0660	6.6604	6.9528
C21	5.2030	4.1164	3.5777	4.5128	5.4024	6.1364	6.1364	5.4024	4.5128	3.5777	2.3527	2.3527	1.4540	2.4686	3.6959	4.5128	4.1164	2.8504	2.4686	1.3963		1.4540	2.4686	3.6959	4.1164	5.2030	5.7889	6.5062	6.6604	6.9646	7.1032	6.9528	6.6604	6.0660	5.4855	4.5128	4.1164	2.8503	2.4686	3.5777	3.5777	4.6120	4.8357	5.7889	6.1364	5.4855	5.4855	4.6120	4.8357	5.7889	6.1364	6.7023	6.7023	6.9528	6.6604	6.0660	5.4855	5.7889	6.5062	6.6604
C22	5.4024	4.5128	3.5777	4.1164	5.2030	5.7889	5.4855	4.5128	3.6959	2.4686	1.4540	2.3527	2.3527	3.5777	4.5128	5.4024	5.2030	4.1164	3.6959	2.4686	1.4540		1.3963	2.4686	2.8504	4.1164	4.8357	5.7889	6.0660	6.6604	6.9528	6.7023	6.1364	5.4855	4.6120	3.5777	3.5777	2.4686	2.8503	4.1164	4.5128	5.4855	5.7889	6.5062	6.6604	6.0660	5.7889	4.8357	4.6120	5.4855	6.1364	6.7023	6.9528	7.1032	6.9646	6.6604	6.1364	6.1364	6.6604	6.5062
C23	6.1364	5.4855	4.6120	4.8357	5.7889	6.0660	5.4855	4.5128	4.1164	2.8503	2.4686	3.5777	3.5777	4.6120	5.4855	6.1364	5.7889	4.8357	4.1164	2.8503	2.4686	1.3963		1.4540	2.4686	3.6959	4.1164	5.2030	5.7889	6.5062	6.6604	6.1364	5.4024	4.5128	3.5777	2.3527	2.3527	1.4540	2.4686	3.6959	4.5128	5.4855	6.0660	6.6604	6.5062	5.7889	5.2030	4.1164	3.5777	4.5128	5.4024	6.1364	6.6604	6.9646	7.1032	6.9528	6.7023	6.7023	6.9528	6.6604
C24	6.1364	5.7889	4.8357	4.6120	5.4855	5.4855	4.6120	3.5777	3.5777	2.4686	2.8503	4.1164	4.5128	5.4855	6.0660	6.6604	6.5062	5.7889	5.2030	4.1164	3.6959	2.4686	1.4540		1.3963	2.4686	2.8503	4.1164	4.8357	5.7889	6.0660	5.4855	4.5128	3.6959	2.4686	1.4540	2.3527	2.3527	3.5777	4.5128	5.4024	6.1364	6.6604	6.9646	6.6604	6.1364	5.4024	4.5128	3.5777	4.1164	5.2030	5.7889	6.5062	6.6604	6.9528	7.1032	6.9528	6.7023	6.7023	6.1364
C25	5.4024	5.2030	4.1164	3.5777	4.5128	4.5128	3.5777	2.3527	2.3527	1.4540	2.4686	3.6959	4.5128	5.4855	5.7889	6.5062	6.6604	6.0660	5.7889	4.8357	4.1164	2.8504	2.4686	1.3963		1.4540	2.4686	3.6959	4.1164	5.2030	5.7889	5.4855	4.5128	4.1164	2.8503	2.4686	3.5777	3.5777	4.6120	5.4855	6.1364	6.7023	6.9528	7.1032	6.9528	6.7023	6.1364	5.4855	4.6120	4.8357	5.7889	6.0660	6.6604	6.5062	6.6604	6.9646	6.6604	6.1364	6.1364	5.4024
C26	5.2030	5.4024	4.5128	3.5777	4.1164	3.6959	2.4686	1.4540	2.3527	2.3527	3.5777	4.5128	5.4024	6.1364	6.1364	6.6604	6.9646	6.6604	6.5062	5.7889	5.2030	4.1164	3.6959	2.4686	1.4540		1.3963	2.4686	2.8504	4.1164	4.8357	4.6120	3.5777	3.5777	2.4686	2.8503	4.1164	4.5128	5.4855	6.0660	6.6604	6.9528	7.1032	6.9528	6.7023	6.7023	6.1364	5.7889	4.8357	4.6120	5.4855	5.4855	6.1364	5.7889	6.0660	6.6604	6.5062	5.7889	5.4855	4.5128
C27	5.7889	6.1364	5.4855	4.6120	4.8357	4.1164	2.8503	2.4686	3.5777	3.5777	4.6120	5.4855	6.1364	6.7023	6.7023	6.9528	7.1032	6.9528	6.6604	6.0660	5.7889	4.8357	4.1164	2.8503	2.4686	1.3963		1.4540	2.4686	3.6959	4.1164	3.5777	2.3527	2.3527	1.4540	2.4686	3.6959	4.5128	5.4855	5.7889	6.5062	6.6604	6.9646	6.6604	6.1364	6.1364	5.4024	5.2030	4.1164	3.5777	4.5128	4.5128	5.4024	5.2030	5.7889	6.5062	6.6604	6.0660	5.4855	4.5128
C28	5.4855	6.1364	5.7889	4.8357	4.6120	3.5777	2.4686	2.8503	4.1164	4.5128	5.4855	6.0660	6.6604	6.9528	6.7023	6.7023	6.9528	7.1032	6.9646	6.6604	6.5062	5.7889	5.2030	4.1164	3.6959	2.4686	1.4540		1.3963	2.4686	2.8504	2.4686	1.4540	2.3527	2.3527	3.5777	4.5128	5.4024	6.1364	6.1364	6.6604	6.5062	6.6604	6.0660	5.4855	5.7889	5.2030	5.4024	4.5128	3.5777	4.1164	3.6959	4.5128	4.1164	4.8357	5.7889	6.1364	5.4855	4.6120	3.5777
C29	4.5128	5.4024	5.2030	4.1164	3.5777	2.3527	1.4540	2.4686	3.6959	4.5128	5.4855	5.7889	6.5062	6.6604	6.1364	6.1364	6.6604	6.9646	7.1032	6.9528	6.6604	6.0660	5.7889	4.8357	4.1164	2.8504	2.4686	1.3963		1.4540	2.4686	2.8503	2.4686	3.5777	3.5777	4.6120	5.4855	6.1364	6.7023	6.7023	6.9528	6.6604	6.5062	5.7889	5.4855	6.0660	5.7889	6.1364	5.4855	4.6120	4.8357	4.1164	4.5128	3.6959	4.1164	5.2030	5.4024	4.5128	3.5777	2.3527
C30	4.1164	5.2030	5.4024	4.5128	3.5777	2.3527	2.3527	3.5777	4.5128	5.4024	6.1364	6.1364	6.6604	6.5062	5.7889	5.4855	6.0660	6.6604	6.9528	7.1032	6.9646	6.6604	6.5062	5.7889	5.2030	4.1164	3.6959	2.4686	1.4540		1.3963	2.4686	2.8503	4.1164	4.5128	5.4855	6.0660	6.6604	6.9528	6.7023	6.7023	6.1364	5.7889	4.8357	4.6120	5.4855	5.4855	6.1364	5.7889	4.8357	4.6120	3.5777	3.5777	2.4686	2.8503	4.1164	4.5128	3.6959	2.4686	1.4540
C31	4.8357	5.7889	6.1364	5.4855	4.6120	3.5777	3.5777	4.6120	5.4855	6.1364	6.7023	6.7023	6.9528	6.6604	6.0660	5.4855	5.7889	6.5062	6.6604	6.9646	7.1032	6.9528	6.6604	6.0660	5.7889	4.8357	4.1164	2.8504	2.4686	1.3963		1.4540	2.4686	3.6959	4.5128	5.4855	5.7889	6.5062	6.6604	6.1364	6.1364	5.4024	5.2030	4.1164	3.5777	4.5128	4.5128	5.4024	5.2030	4.1164	3.5777	2.3527	2.3527	1.4540	2.4686	3.6959	4.5128	4.1164	2.8503	2.4686
C32	5.7889	6.5062	6.6604	6.0660	5.4855	4.5128	4.1164	4.8357	5.7889	6.1364	6.7023	6.9528	7.1032	6.9646	6.6604	6.1364	6.1364	6.6604	6.5062	6.6604	6.9528	6.7023	6.1364	5.4855	5.4855	4.6120	3.5777	2.4686	2.8503	2.4686	1.4540		1.3963	2.4686	3.5777	4.6120	4.8357	5.7889	6.0660	5.4855	5.7889	5.2030	5.4024	4.5128	3.5777	4.1164	3.6959	4.5128	4.1164	2.8504	2.4686	1.4540	2.3527	2.3527	3.5777	4.5128	5.4024	5.2030	4.1164	3.6959
C33	6.0660	6.6604	6.5062	5.7889	5.4855	4.5128	3.6959	4.1164	5.2030	5.4024	6.1364	6.6604	6.9646	7.1032	6.9528	6.7023	6.7023	6.9528	6.6604	6.5062	6.6604	6.1364	5.4024	4.5128	4.5128	3.5777	2.3527	1.4540	2.4686	2.8503	2.4686	1.3963		1.4540	2.3527	3.5777	4.1164	5.2030	5.7889	5.4855	6.0660	5.7889	6.1364	5.4855	4.6120	4.8357	4.1164	4.5128	3.6959	2.4686	2.8503	2.4686	3.5777	3.5777	4.6120	5.4855	6.1364	5.7889	4.8357	4.1164
C34	6.6604	6.9646	6.6604	6.1364	6.1364	5.4024	4.5128	4.5128	5.4024	5.2030	5.7889	6.5062	6.6604	6.9528	7.1032	6.9528	6.7023	6.7023	6.1364	5.7889	6.0660	5.4855	4.5128	3.6959	4.1164	3.5777	2.3527	2.3527	3.5777	4.1164	3.6959	2.4686	1.4540		1.4540	2.4686	2.8504	4.1164	4.8357	4.6120	5.4855	5.4855	6.1364	5.7889	4.8357	4.6120	3.5777	3.5777	2.4686	1.3963	2.4686	2.8504	4.1164	4.5128	5.4855	6.0660	6.6604	6.5062	5.7889	5.2030
C35	6.5062	6.6604	6.0660	5.4855	5.7889	5.2030	4.1164	3.6959	4.5128	4.1164	4.8357	5.7889	6.1364	6.7023	6.9528	7.1032	6.9528	6.7023	6.1364	5.4855	5.4855	4.6120	3.5777	2.4686	2.8503	2.4686	1.4540	2.3527	3.5777	4.5128	4.5128	3.5777	2.3527	1.4540		1.3963	2.4686	3.5777	4.6120	4.8357	5.7889	6.0660	6.6604	6.5062	5.7889	5.4855	4.5128	4.1164	2.8504	2.4686	3.6959	4.1164	5.2030	5.4024	6.1364	6.6604	6.9646	6.6604	6.1364	5.4024
C36	6.6604	6.5062	5.7889	5.4855	6.0660	5.7889	4.8357	4.1164	4.5128	3.6959	4.1164	5.2030	5.4024	6.1364	6.6604	6.9646	6.6604	6.1364	5.4024	4.5128	4.5128	3.5777	2.3527	1.4540	2.4686	2.8503	2.4686	3.5777	4.6120	5.4855	5.4855	4.6120	3.5777	2.4686	1.3963		1.4540	2.3527	3.5777	4.1164	5.2030	5.7889	6.5062	6.6604	6.0660	5.4855	4.5128	3.6959	2.4686	2.8504	4.1164	4.8357	5.7889	6.1364	6.7023	6.9528	7.1032	6.9528	6.7023	6.1364
C37	6.9646	6.6604	6.1364	6.1364	6.6604	6.5062	5.7889	5.2030	5.4024	4.5128	4.5128	5.4024	5.2030	5.7889	6.5062	6.6604	6.0660	5.4855	4.5128	3.6959	4.1164	3.5777	2.3527	2.3527	3.5777	4.1164	3.6959	4.5128	5.4855	6.0660	5.7889	4.8357	4.1164	2.8504	2.4686	1.4540		1.4540	2.4686	2.8504	4.1164	4.8357	5.7889	6.1364	5.4855	4.6120	3.5777	2.4686	1.3963	2.4686	3.5777	4.6120	5.4855	6.1364	6.7023	6.7023	6.9528	7.1032	6.9528	6.6604
C38	6.6604	6.0660	5.4855	5.7889	6.5062	6.6604	6.1364	5.4024	5.2030	4.1164	3.6959	4.5128	4.1164	4.8357	5.7889	6.1364	5.4855	4.6120	3.5777	2.4686	2.8503	2.4686	1.4540	2.3527	3.5777	4.5128	4.5128	5.4024	6.1364	6.6604	6.5062	5.7889	5.2030	4.1164	3.5777	2.3527	1.4540		1.3963	2.4686	3.5777	4.6120	5.4855	6.1364	5.7889	4.8357	4.1164	2.8504	2.4686	3.6959	4.5128	5.4855	6.0660	6.6604	6.9528	6.7023	6.7023	6.9528	7.1032	6.9646
C39	6.5062	5.7889	5.4855	6.0660	6.6604	6.9528	6.7023	6.1364	5.7889	4.8357	4.1164	4.5128	3.6959	4.1164	5.2030	5.4024	4.5128	3.5777	2.3527	1.4540	2.4686	2.8503	2.4686	3.5777	4.6120	5.4855	5.4855	6.1364	6.7023	6.9528	6.6604	6.0660	5.7889	4.8357	4.6120	3.5777	2.4686	1.3963		1.4540	2.3527	3.5777	4.5128	5.4024	5.2030	4.1164	3.6959	2.4686	2.8504	4.1164	4.5128	5.4855	5.7889	6.5062	6.6604	6.1364	6.1364	6.6604	6.9646	7.1032
C40	6.6604	6.1364	6.1364	6.6604	6.9646	7.1032	6.9528	6.6604	6.5062	5.7889	5.2030	5.4024	4.5128	4.5128	5.4024	5.2030	4.1164	3.5777	2.3527	2.3527	3.5777	4.1164	3.6959	4.5128	5.4855	6.0660	5.7889	6.1364	6.7023	6.7023	6.1364	5.4855	5.4855	4.6120	4.8357	4.1164	2.8504	2.4686	1.4540		1.4540	2.4686	3.6959	4.5128	4.1164	2.8504	2.4686	1.3963	2.4686	3.5777	3.5777	4.6120	4.8357	5.7889	6.0660	5.4855	5.7889	6.5062	6.6604	6.9528
C41	6.0660	5.4855	5.7889	6.5062	6.6604	6.9528	7.1032	6.9646	6.6604	6.1364	5.4024	5.2030	4.1164	3.6959	4.5128	4.1164	2.8503	2.4686	1.4540	2.3527	3.5777	4.5128	4.5128	5.4024	6.1364	6.6604	6.5062	6.6604	6.9528	6.7023	6.1364	5.7889	6.0660	5.4855	5.7889	5.2030	4.1164	3.5777	2.3527	1.4540		1.3963	2.4686	3.5777	3.5777	2.4686	2.8503	2.4686	3.6959	4.5128	4.1164	4.8357	4.6120	5.4855	5.4855	4.6120	4.8357	5.7889	6.1364	6.7023
C42	5.7889	5.4855	6.0660	6.6604	6.5062	6.6604	6.9646	7.1032	6.9528	6.7023	6.1364	5.7889	4.8357	4.1164	4.5128	3.6959	2.4686	2.8503	2.4686	3.5777	4.6120	5.4855	5.4855	6.1364	6.7023	6.9528	6.6604	6.5062	6.6604	6.1364	5.4024	5.2030	5.7889	5.4855	6.0660	5.7889	4.8357	4.6120	3.5777	2.4686	1.3963		1.4540	2.3527	2.3527	1.4540	2.4686	2.8504	4.1164	4.5128	3.6959	4.1164	3.5777	4.5128	4.5128	3.5777	4.1164	5.2030	5.4024	6.1364
C43	4.8357	4.6120	5.4855	6.1364	5.7889	6.0660	6.6604	6.9528	6.7023	6.7023	6.1364	5.4855	4.6120	3.5777	3.5777	2.4686	1.3963	2.4686	2.8504	4.1164	4.8357	5.7889	6.0660	6.6604	6.9528	7.1032	6.9646	6.6604	6.5062	5.7889	5.2030	5.4024	6.1364	6.1364	6.6604	6.5062	5.7889	5.4855	4.5128	3.6959	2.4686	1.4540		1.4540	2.3527	2.3527	3.5777	4.1164	5.2030	5.4024	4.5128	4.5128	3.5777	4.1164	3.6959	2.4686	2.8503	4.1164	4.5128	5.4855
C44	4.6120	4.8357	5.7889	6.1364	5.4855	5.4855	6.1364	6.7023	6.7023	6.9528	6.6604	6.0660	5.4855	4.5128	4.1164	2.8503	2.4686	3.6959	4.1164	5.2030	5.7889	6.5062	6.6604	6.9646	7.1032	6.9528	6.6604	6.0660	5.7889	4.8357	4.1164	4.5128	5.4855	5.7889	6.5062	6.6604	6.1364	6.1364	5.4024	4.5128	3.5777	2.3527	1.4540		1.4540	2.3527	3.5777	4.5128	5.4024	5.2030	4.1164	3.6959	2.4686	2.8504	2.4686	1.3963	2.4686	3.5777	3.5777	4.6120
C45	5.4855	5.7889	6.5062	6.6604	6.0660	5.7889	6.1364	6.7023	6.9528	7.1032	6.9646	6.6604	6.1364	5.4024	5.2030	4.1164	3.5777	4.5128	4.5128	5.4024	6.1364	6.6604	6.5062	6.6604	6.9528	6.7023	6.1364	5.4855	5.4855	4.6120	3.5777	3.5777	4.6120	4.8357	5.7889	6.0660	5.4855	5.7889	5.2030	4.1164	3.5777	2.3527	2.3527	1.4540		1.4540	2.4686	3.6959	4.5128	4.1164	2.8504	2.4686	1.3963	2.4686	2.8503	2.4686	3.6959	4.5128	4.1164	4.8357
C46	6.1364	6.1364	6.6604	6.9646	6.6604	6.5062	6.6604	6.9528	7.1032	6.9528	6.6604	6.5062	5.7889	5.2030	5.4024	4.5128	3.5777	4.1164	3.6959	4.5128	5.4855	6.0660	5.7889	6.1364	6.7023	6.7023	6.1364	5.7889	6.0660	5.4855	4.5128	4.1164	4.8357	4.6120	5.4855	5.4855	4.6120	4.8357	4.1164	2.8504	2.4686	1.4540	2.3527	2.3527	1.4540		1.3963	2.4686	3.5777	3.5777	2.4686	2.8504	2.4686	3.6959	4.1164	3.5777	4.5128	5.4024	5.2030	5.7889
C47	6.7023	6.7023	6.9528	7.1032	6.9528	6.6604	6.5062	6.6604	6.9646	6.6604	6.5062	6.6604	6.0660	5.7889	6.1364	5.4855	4.6120	4.8357	4.1164	4.5128	5.4855	5.7889	5.2030	5.4024	6.1364	6.1364	5.4024	5.2030	5.7889	5.4855	4.5128	3.6959	4.1164	3.5777	4.5128	4.5128	3.5777	4.1164	3.6959	2.4686	2.8503	2.4686	3.5777	3.5777	2.4686	1.3963		1.4540	2.3527	2.3527	1.4540	2.4686	2.8504	4.1164	4.8357	4.6120	5.4855	6.1364	5.7889	6.0660
C48	6.9528	6.7023	6.7023	6.9528	7.1032	6.9646	6.6604	6.5062	6.6604	6.0660	5.7889	6.1364	5.4855	5.4855	6.1364	5.7889	4.8357	4.6120	3.5777	3.5777	4.6120	4.8357	4.1164	4.5128	5.4855	5.7889	5.2030	5.4024	6.1364	6.1364	5.4024	4.5128	4.5128	3.5777	4.1164	3.6959	2.4686	2.8504	2.4686	1.3963	2.4686	2.8504	4.1164	4.5128	3.6959	2.4686	1.4540		1.4540	2.3527	2.3527	3.5777	4.1164	5.2030	5.7889	5.4855	6.0660	6.6604	6.5062	6.6604
C49	7.1032	6.9528	6.7023	6.7023	6.9528	6.6604	6.0660	5.7889	6.1364	5.4855	5.4855	6.1364	5.7889	6.0660	6.6604	6.5062	5.7889	5.4855	4.5128	4.1164	4.8357	4.6120	3.5777	3.5777	4.6120	4.8357	4.1164	4.5128	5.4855	5.7889	5.2030	4.1164	3.6959	2.4686	2.8504	2.4686	1.3963	2.4686	2.8504	2.4686	3.6959	4.1164	5.2030	5.4024	4.5128	3.5777	2.3527	1.4540		1.4540	2.3527	3.5777	4.5128	5.4024	6.1364	6.1364	6.6604	6.9646	6.6604	6.5062
C50	6.9528	7.1032	6.9528	6.7023	6.7023	6.1364	5.4855	5.4855	6.1364	5.7889	6.0660	6.6604	6.5062	6.6604	6.9646	6.6604	6.1364	6.1364	5.4024	5.2030	5.7889	5.4855	4.5128	4.1164	4.8357	4.6120	3.5777	3.5777	4.6120	4.8357	4.1164	2.8504	2.4686	1.3963	2.4686	2.8504	2.4686	3.6959	4.1164	3.5777	4.5128	4.5128	5.4024	5.2030	4.1164	3.5777	2.3527	2.3527	1.4540		1.4540	2.4686	3.6959	4.5128	5.4855	5.7889	6.5062	6.6604	6.0660	5.7889
C51	6.7023	6.9528	7.1032	6.9528	6.7023	6.1364	5.7889	6.0660	6.6604	6.5062	6.6604	6.9646	6.6604	6.5062	6.6604	6.0660	5.4855	5.7889	5.2030	5.4024	6.1364	6.1364	5.4024	5.2030	5.7889	5.4855	4.5128	4.1164	4.8357	4.6120	3.5777	2.4686	2.8503	2.4686	3.6959	4.1164	3.5777	4.5128	4.5128	3.5777	4.1164	3.6959	4.5128	4.1164	2.8504	2.4686	1.4540	2.3527	2.3527	1.4540		1.3963	2.4686	3.5777	4.6120	4.8357	5.7889	6.1364	5.4855	5.4855
C52	6.1364	6.6604	6.9646	6.6604	6.1364	5.4024	5.2030	5.7889	6.5062	6.6604	6.9528	7.1032	6.9528	6.6604	6.5062	5.7889	5.4855	6.0660	5.7889	6.1364	6.7023	6.7023	6.1364	5.7889	6.0660	5.4855	4.5128	3.6959	4.1164	3.5777	2.3527	1.4540	2.4686	2.8504	4.1164	4.8357	4.6120	5.4855	5.4855	4.6120	4.8357	4.1164	4.5128	3.6959	2.4686	2.8504	2.4686	3.5777	3.5777	2.4686	1.3963		1.4540	2.3527	3.5777	4.1164	5.2030	5.4024	4.5128	4.5128
C53	5.4855	6.0660	6.6604	6.5062	5.7889	5.2030	5.4024	6.1364	6.6604	6.9646	7.1032	6.9528	6.7023	6.1364	5.7889	4.8357	4.6120	5.4855	5.4855	6.1364	6.7023	6.9528	6.6604	6.5062	6.6604	6.1364	5.4024	4.5128	4.5128	3.5777	2.3527	2.3527	3.5777	4.1164	5.2030	5.7889	5.4855	6.0660	5.7889	4.8357	4.6120	3.5777	3.5777	2.4686	1.3963	2.4686	2.8504	4.1164	4.5128	3.6959	2.4686	1.4540		1.4540	2.4686	2.8503	4.1164	4.5128	3.6959	4.1164
C54	4.6120	5.4855	6.1364	5.7889	4.8357	4.1164	4.5128	5.4855	6.0660	6.6604	6.9528	6.7023	6.7023	6.1364	5.4855	4.6120	4.8357	5.7889	6.0660	6.6604	6.9528	7.1032	6.9646	6.6604	6.5062	5.7889	5.2030	4.1164	3.6959	2.4686	1.4540	2.3527	3.5777	4.5128	5.4024	6.1364	6.1364	6.6604	6.5062	5.7889	5.4855	4.5128	4.1164	2.8504	2.4686	3.6959	4.1164	5.2030	5.4024	4.5128	3.5777	2.3527	1.4540		1.3963	2.4686	3.5777	3.5777	2.4686	2.8503
C55	3.5777	4.5128	5.4024	5.2030	4.1164	3.6959	4.5128	5.4855	5.7889	6.5062	6.6604	6.1364	6.1364	5.4024	4.5128	3.5777	4.1164	5.2030	5.7889	6.5062	6.6604	6.9646	7.1032	6.9528	6.6604	6.0660	5.7889	4.8357	4.1164	2.8503	2.4686	3.5777	4.6120	5.4855	6.1364	6.7023	6.7023	6.9528	6.6604	6.0660	5.4855	4.5128	3.6959	2.4686	2.8503	4.1164	4.8357	5.7889	6.1364	5.4855	4.6120	3.5777	2.4686	1.3963		1.4540	2.3527	2.3527	1.4540	2.4686
C56	3.5777	4.1164	5.2030	5.4024	4.5128	4.5128	5.4024	6.1364	6.1364	6.6604	6.5062	5.7889	5.4855	4.5128	3.6959	2.4686	2.8503	4.1164	4.8357	5.7889	6.0660	6.6604	6.9528	7.1032	6.9646	6.6604	6.5062	5.7889	5.2030	4.1164	3.6959	4.5128	5.4855	6.0660	6.6604	6.9528	6.7023	6.7023	6.1364	5.4855	4.6120	3.5777	2.4686	1.3963	2.4686	3.5777	4.6120	5.4855	6.1364	5.7889	4.8357	4.1164	2.8503	2.4686	1.4540		1.4540	2.3527	2.3527	3.5777
C57	2.4686	2.8504	4.1164	4.5128	3.6959	4.1164	5.2030	5.7889	5.4855	6.0660	5.7889	4.8357	4.6120	3.5777	2.4686	1.3963	2.4686	3.5777	4.6120	5.4855	5.4855	6.1364	6.7023	6.9528	6.6604	6.5062	6.6604	6.1364	5.4024	4.5128	4.5128	5.4024	6.1364	6.6604	6.9646	7.1032	6.9528	6.7023	6.1364	5.7889	4.8357	4.1164	2.8503	2.4686	3.6959	4.5128	5.4855	6.0660	6.6604	6.5062	5.7889	5.2030	4.1164	3.5777	2.3527	1.4540		1.4540	2.3527	3.5777
C58	1.3963	2.4686	3.5777	3.5777	2.4686	2.8504	4.1164	4.8357	4.6120	5.4855	5.4855	4.6120	4.8357	4.1164	2.8504	2.4686	3.6959	4.5128	5.4855	6.0660	5.7889	6.1364	6.7023	6.7023	6.1364	5.7889	6.0660	5.4855	4.5128	3.6959	4.1164	5.2030	5.7889	6.5062	6.6604	6.9528	7.1032	6.9528	6.6604	6.5062	5.7889	5.2030	4.1164	3.5777	4.5128	5.4024	6.1364	6.6604	6.9646	6.6604	6.1364	5.4024	4.5128	3.5777	2.3527	2.3527	1.4540		1.4540	2.4686
C59	2.4686	3.6959	4.5128	4.1164	2.8504	2.4686	3.5777	4.6120	4.8357	5.7889	6.0660	5.4855	5.7889	5.2030	4.1164	3.5777	4.5128	5.4024	6.1364	6.6604	6.5062	6.6604	6.9528	6.7023	6.1364	5.4855	5.4855	4.6120	3.5777	2.4686	2.8503	4.1164	4.8357	5.7889	6.1364	6.7023	6.9528	7.1032	6.9646	6.6604	6.1364	5.4024	4.5128	3.5777	4.1164	5.2030	5.7889	6.5062	6.6604	6.0660	5.4855	4.5128	3.6959	2.4686	1.4540	2.3527	2.3527	1.4540		1.3963
C60	2.8504	4.1164	4.5128	3.6959	2.4686	1.4540	2.3527	3.5777	4.1164	5.2030	5.7889	5.4855	6.0660	5.7889	4.8357	4.6120	5.4855	6.1364	6.7023	6.9528	6.6604	6.5062	6.6604	6.1364	5.4024	4.5128	4.5128	3.5777	2.3527	1.4540	2.4686	3.6959	4.1164	5.2030	5.4024	6.1364	6.6604	6.9646	7.1032	6.9528	6.7023	6.1364	5.4855	4.6120	4.8357	5.7889	6.0660	6.6604	6.5062	5.7889	5.4855	4.5128	4.1164	2.8503	2.4686	3.5777	3.5777	2.4686	1.3963

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 B3LYP/6-31+G** Charges (e)

Number	Element	Mulliken	CHELPG	AIM	ESP
1	C	0.008
2	C	0.006
3	C	-0.008
4	C	-0.008
5	C	0.006
6	C	-0.006
7	C	-0.002
8	C	0.002
9	C	0.003
10	C	0.002
11	C	0.002
12	C	0.003
13	C	0.002
14	C	-0.002
15	C	-0.006
16	C	-0.005
17	C	-0.002
18	C	-0.001
19	C	-0.001
20	C	-0.002
21	C	0.002
22	C	0.004
23	C	-0.009
24	C	-0.009
25	C	0.004
26	C	0.002
27	C	-0.002
28	C	-0.001
29	C	-0.001
30	C	-0.002
31	C	0.002
32	C	0.002
33	C	-0.002
34	C	-0.006
35	C	-0.005
36	C	0.005
37	C	0.008
38	C	0.005
39	C	-0.005
40	C	-0.006
41	C	-0.002
42	C	0.002
43	C	0.002
44	C	0.004
45	C	0.002
46	C	0.003
47	C	-0.008
48	C	0.006
49	C	0.008
50	C	0.006
51	C	-0.008
52	C	0.003
53	C	0.002
54	C	0.004
55	C	-0.009
56	C	-0.009
57	C	0.005
58	C	0.008
59	C	0.005
60	C	-0.005

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 -336.247 0.000 0.000 y 0.000 -336.249 0.007 z 0.000 0.007 -336.250

Traceless   x y z x 0.002 0.000 0.000 y 0.000 0.000 0.007 z 0.000 0.007 -0.002

Polar 3z2-r2 -0.003 x2-y2 0.001 xy 0.000 xz 0.000 yz 0.007

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

	x	y	z
x	80.934	0.000	0.000
y	0.000	80.941	0.004
z	0.000	0.004	80.936

<r²> (average value of r²) Ų

<r2>	4751.031
(<r2>)1/2	68.928