All results from a given calculation for C₆₀ (Buckminsterfullerene)

Energy calculated at B3LYP/6-31G

	hartrees
Energy at 0K	-2285.589222
Energy at 298.15K	-2285.588655
HF Energy	-2285.589222
Nuclear repulsion energy	8300.080109

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/6-31G

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	1525	1467	0.00
2	Ag	496	477	0.00
3	Au	992	954	0.00
4	T1g	1303	1254	0.00
4	T1g	1303	1254	0.00
4	T1g	1303	1254	0.00
5	T1g	859	826	0.00
5	T1g	859	826	0.00
5	T1g	859	826	0.00
6	T1g	597	574	0.00
6	T1g	597	574	0.00
6	T1g	597	574	0.00
7	T1u	1481	1425	17.15
7	T1u	1481	1425	17.15
7	T1u	1481	1425	17.15
8	T1u	1209	1163	10.01
8	T1u	1209	1163	10.01
8	T1u	1209	1163	10.01
9	T1u	587	565	9.99
9	T1u	587	565	9.99
9	T1u	587	565	9.99
10	T1u	558	537	26.08
10	T1u	558	537	26.08
10	T1u	558	537	26.08
11	T2g	1372	1319	0.00
11	T2g	1372	1319	0.00
11	T2g	1372	1319	0.00
12	T2g	829	797	0.00
12	T2g	829	797	0.00
12	T2g	829	797	0.00
13	T2g	769	740	0.00
13	T2g	769	740	0.00
13	T2g	769	740	0.00
14	T2g	582	560	0.00
14	T2g	582	560	0.00
14	T2g	582	560	0.00
15	T2u	1581	1521	0.00
15	T2u	1581	1521	0.00
15	T2u	1581	1521	0.00
16	T2u	1201	1155	0.00
16	T2u	1201	1155	0.00
16	T2u	1201	1155	0.00
17	T2u	984	947	0.00
17	T2u	984	947	0.00
17	T2u	984	947	0.00
18	T2u	744	716	0.00
18	T2u	744	716	0.00
81	T2u	744	716	0.00
19	T2u	356	342	0.00
19	T2u	356	342	0.00
19	T2u	356	342	0.00
20	Gg	1548	1489	0.00
20	Gg	1548	1489	0.00
20	Gg	1548	1489	0.00
20	Gg	1548	1489	0.00
21	Gg	1343	1292	0.00
21	Gg	1343	1292	0.00
21	Gg	1343	1292	0.00
21	Gg	1343	1292	0.00
22	Gg	1099	1057	0.00
22	Gg	1099	1057	0.00
22	Gg	1099	1057	0.00
22	Gg	1099	1057	0.00
23	Gg	779	750	0.00
23	Gg	779	750	0.00
23	Gg	779	750	0.00
23	Gg	779	750	0.00
24	Gg	595	572	0.00
24	Gg	595	572	0.00
24	Gg	595	572	0.00
24	Gg	595	572	0.00
25	Gg	501	482	0.00
25	Gg	501	482	0.00
25	Gg	501	482	0.00
25	Gg	501	482	0.00
26	Gu	1472	1416	0.00
26	Gu	1472	1416	0.00
26	Gu	1472	1416	0.00
26	Gu	1472	1416	0.00
27	Gu	1338	1287	0.00
27	Gu	1338	1287	0.00
27	Gu	1338	1287	0.00
27	Gu	1338	1287	0.00
28	Gu	985	948	0.00
28	Gu	985	948	0.00
28	Gu	985	948	0.00
28	Gu	985	948	0.00
29	Gu	789	759	0.00
29	Gu	789	759	0.00
29	Gu	789	759	0.00
29	Gu	789	759	0.00
30	Gu	778	749	0.00
30	Gu	778	749	0.00
30	Gu	778	749	0.00
30	Gu	778	749	0.00
31	Gu	366	352	0.00
31	Gu	366	352	0.00
31	Gu	366	352	0.00
31	Gu	366	352	0.00
32	Hg	1628	1566	0.00
32	Hg	1628	1566	0.00
32	Hg	1628	1566	0.00
32	Hg	1628	1566	0.00
32	Hg	1628	1566	0.00
33	Hg	1468	1412	0.00
33	Hg	1468	1412	0.00
33	Hg	1468	1412	0.00
33	Hg	1468	1412	0.00
33	Hg	1468	1412	0.00
34	Hg	1274	1226	0.00
34	Hg	1274	1226	0.00
34	Hg	1274	1226	0.00
34	Hg	1274	1226	0.00
34	Hg	1274	1226	0.00
35	Hg	1130	1087	0.00
35	Hg	1130	1087	0.00
35	Hg	1130	1087	0.00
35	Hg	1130	1087	0.00
35	Hg	1130	1087	0.00
36	Hg	789	759	0.00
36	Hg	789	759	0.00
36	Hg	789	759	0.00
36	Hg	789	759	0.00
36	Hg	789	759	0.00
37	Hg	739	711	0.00
37	Hg	739	711	0.00
37	Hg	739	711	0.00
37	Hg	739	711	0.00
37	Hg	739	711	0.00
38	Hg	451	434	0.00
38	Hg	451	434	0.00
38	Hg	451	434	0.00
38	Hg	451	434	0.00
38	Hg	451	434	0.00
39	Hg	272	262	0.00
39	Hg	272	262	0.00
39	Hg	272	262	0.00
39	Hg	272	262	0.00
39	Hg	272	262	0.00
40	Hu	1618	1557	0.00
40	Hu	1618	1557	0.00
40	Hu	1618	1557	0.00
40	Hu	1618	1557	0.00
40	Hu	1618	1557	0.00
41	Hu	1371	1319	0.00
41	Hu	1371	1319	0.00
41	Hu	1371	1319	0.00
41	Hu	1371	1319	0.00
41	Hu	1371	1319	0.00
42	Hu	1247	1200	0.00
42	Hu	1247	1200	0.00
42	Hu	1247	1200	0.00
42	Hu	1247	1200	0.00
42	Hu	1247	1200	0.00
43	Hu	766	737	0.00
43	Hu	766	737	0.00
43	Hu	766	737	0.00
43	Hu	766	737	0.00
43	Hu	766	737	0.00
44	Hu	697	670	0.00
44	Hu	697	670	0.00
44	Hu	697	670	0.00
44	Hu	697	670	0.00
44	Hu	697	670	0.00
45	Hu	556	535	0.00
45	Hu	556	535	0.00
45	Hu	556	535	0.00
45	Hu	556	535	0.00
45	Hu	556	535	0.00
46	Hu	418	402	0.00
46	Hu	418	402	0.00
46	Hu	418	402	0.00
46	Hu	418	402	0.00
46	Hu	418	402	0.00

Unscaled Zero Point Vibrational Energy (zpe) 83264.0 cm^-1
Scaled (by 0.962) Zero Point Vibrational Energy (zpe) 80100.0 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/6-31G

A	B	C
0.00277	0.00277	0.00277

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

Geometric Data calculated at B3LYP/6-31G

Point Group is I_h

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.241	3.338
C2	-1.181	0.384	3.338
C3	-0.730	-1.004	3.338
C4	0.730	-1.004	3.338
C5	1.181	0.384	3.338
C6	2.311	0.751	2.603
C7	3.041	-0.253	1.836
C8	2.609	-1.583	1.836
C9	1.429	-1.966	2.603
C10	0.699	-2.971	1.836
C11	-0.699	-2.971	1.836
C12	-1.429	-1.966	2.603
C13	-2.609	-1.583	1.836
C14	-3.041	-0.253	1.836
C15	-2.311	0.751	2.603
C16	-2.311	1.992	1.836
C17	-3.041	1.755	0.594
C18	-3.492	0.367	0.594
C19	-3.492	-0.367	-0.594
C20	-3.041	-1.755	-0.594
C21	-2.609	-2.350	0.594
C22	-1.429	-3.208	0.594
C23	-0.730	-3.435	-0.594
C24	0.730	-3.435	-0.594
C25	1.429	-3.208	0.594
C26	2.609	-2.350	0.594
C27	3.041	-1.755	-0.594
C28	3.492	-0.367	-0.594
C29	3.492	0.367	0.594
C30	3.041	1.755	0.594
C31	2.609	2.350	-0.594
C32	2.609	1.583	-1.836
C33	3.041	0.253	-1.836
C34	2.311	-0.751	-2.603
C35	2.311	-1.992	-1.836
C36	1.181	-2.814	-1.836
C37	0.000	-2.430	-2.603
C38	-1.181	-2.814	-1.836
C39	-2.311	-1.992	-1.836
C40	-2.311	-0.751	-2.603
C41	-3.041	0.253	-1.836
C42	-2.609	1.583	-1.836
C43	-2.609	2.350	-0.594
C44	-1.429	3.208	-0.594
C45	-0.699	2.971	-1.836
C46	-1.429	1.966	-2.603
C47	-0.730	1.004	-3.338
C48	-1.181	-0.384	-3.338
C49	0.000	-1.241	-3.338
C50	1.181	-0.384	-3.338
C51	0.730	1.004	-3.338
C52	1.429	1.966	-2.603
C53	0.699	2.971	-1.836
C54	1.429	3.208	-0.594
C55	0.730	3.435	0.594
C56	-0.730	3.435	0.594
C57	-1.181	2.814	1.836
C58	0.000	2.430	2.603
C59	1.181	2.814	1.836
C60	2.311	1.992	1.836

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		1.4594	2.3614	2.3614	1.4594	2.4745	3.7066	4.1279	3.5875	4.5261	4.5261	3.5875	4.1279	3.7066	2.4745	2.8571	4.1279	4.5261	5.4998	5.8046	5.2185	5.4187	6.1533	6.1533	5.4187	5.2185	5.8046	5.4998	4.5261	4.1279	4.8477	5.8046	6.0823	6.6791	6.5246	6.6791	6.9842	6.6791	6.5246	6.6791	6.0823	5.8046	4.8477	4.6228	5.4998	6.1533	6.7199	6.9716	7.1227	6.9716	6.7199	6.1533	5.4998	4.6228	3.5875	3.5875	2.4745	1.3976	2.4745	2.8571
C2	1.4594		1.4594	2.3614	2.3614	3.5875	4.5261	4.5261	3.5875	4.1279	3.7066	2.4745	2.8571	2.4745	1.3976	2.4745	3.5875	3.5875	4.6228	4.8477	4.1279	4.5261	5.4998	5.8046	5.2185	5.4187	6.1533	6.1533	5.4187	5.2185	5.8046	6.5246	6.6791	6.9842	6.6791	6.5246	6.6791	6.0823	5.8046	6.1533	5.4998	5.4998	4.6228	4.8477	5.8046	6.1533	6.7199	6.7199	6.9716	7.1227	6.9716	6.6791	6.0823	5.4998	4.5261	4.1279	2.8571	2.4745	3.7066	4.1279
C3	2.3614	1.4594		1.4594	2.3614	3.5875	4.1279	3.7066	2.4745	2.8571	2.4745	1.3976	2.4745	2.8571	2.4745	3.7066	4.5261	4.1279	4.8477	4.6228	3.5875	3.5875	4.6228	4.8477	4.1279	4.5261	5.4998	5.8046	5.2185	5.4187	6.1533	6.6791	6.5246	6.6791	6.0823	5.8046	6.1533	5.4998	5.4998	6.1533	5.8046	6.0823	5.4998	5.8046	6.5246	6.6791	6.9716	6.7199	6.7199	6.9716	7.1227	6.9842	6.6791	6.1533	5.4187	5.2185	4.1279	3.5875	4.5261	4.5261
C4	2.3614	2.3614	1.4594		1.4594	2.4745	2.8571	2.4745	1.3976	2.4745	2.8571	2.4745	3.7066	4.1279	3.5875	4.5261	5.4187	5.2185	5.8046	5.4998	4.5261	4.1279	4.8477	4.6228	3.5875	3.5875	4.6228	4.8477	4.1279	4.5261	5.4998	6.0823	5.8046	6.1533	5.4998	5.4998	6.1533	5.8046	6.0823	6.6791	6.5246	6.6791	6.1533	6.1533	6.6791	6.9842	7.1227	6.9716	6.7199	6.7199	6.9716	6.6791	6.5246	5.8046	5.2185	5.4187	4.5261	3.5875	4.1279	3.7066
C5	1.4594	2.3614	2.3614	1.4594		1.3976	2.4745	2.8571	2.4745	3.7066	4.1279	3.5875	4.5261	4.5261	3.5875	4.1279	5.2185	5.4187	6.1533	6.1533	5.4187	5.2185	5.8046	5.4998	4.5261	4.1279	4.8477	4.6228	3.5875	3.5875	4.6228	5.4998	5.4998	6.1533	5.8046	6.0823	6.6791	6.5246	6.6791	6.9842	6.6791	6.5246	5.8046	5.4998	6.0823	6.6791	6.9716	7.1227	6.9716	6.7199	6.7199	6.1533	5.8046	4.8477	4.1279	4.5261	3.7066	2.4745	2.8571	2.4745
C6	2.4745	3.5875	3.5875	2.4745	1.3976		1.4594	2.4745	2.8571	4.1279	4.8477	4.6228	5.4998	5.4998	4.6228	4.8477	5.8046	6.1533	6.7199	6.7199	6.1533	5.8046	6.0823	5.4998	4.5261	3.7066	4.1279	3.5875	2.3614	2.3614	3.5875	4.5261	4.5261	5.4187	5.2185	5.8046	6.5246	6.6791	6.9716	7.1227	6.9716	6.6791	6.0823	5.4998	5.8046	6.5246	6.6791	6.9842	6.6791	6.1533	6.1533	5.4187	5.2185	4.1279	3.7066	4.5261	4.1279	2.8571	2.4745	1.4594
C7	3.7066	4.5261	4.1279	2.8571	2.4745	1.4594		1.3976	2.4745	3.5875	4.6228	4.8477	5.8046	6.0823	5.4998	5.8046	6.5246	6.6791	6.9716	6.7199	6.1533	5.4998	5.4998	4.6228	3.5875	2.4745	2.8571	2.4745	1.4594	2.3614	3.5875	4.1279	3.7066	4.5261	4.1279	4.8477	5.8046	6.1533	6.7199	6.9716	7.1227	6.9842	6.6791	6.1533	6.1533	6.6791	6.5246	6.6791	6.0823	5.4998	5.8046	5.2185	5.4187	4.5261	4.5261	5.4187	5.2185	4.1279	3.5875	2.3614
C8	4.1279	4.5261	3.7066	2.4745	2.8571	2.4745	1.3976		1.4594	2.3614	3.5875	4.1279	5.2185	5.8046	5.4998	6.0823	6.6791	6.5246	6.6791	6.1533	5.4187	4.5261	4.5261	3.5875	2.3614	1.4594	2.4745	2.8571	2.4745	3.5875	4.6228	4.8477	4.1279	4.5261	3.7066	4.1279	5.2185	5.4187	6.1533	6.6791	6.9842	7.1227	6.9716	6.7199	6.7199	6.9716	6.6791	6.5246	5.8046	5.4998	6.0823	5.8046	6.1533	5.4998	5.4998	6.1533	5.8046	4.8477	4.6228	3.5875
C9	3.5875	3.5875	2.4745	1.3976	2.4745	2.8571	2.4745	1.4594		1.4594	2.4745	2.8571	4.1279	4.8477	4.6228	5.4998	6.1533	5.8046	6.0823	5.4998	4.5261	3.7066	4.1279	3.5875	2.3614	2.3614	3.5875	4.1279	3.7066	4.5261	5.4998	5.8046	5.2185	5.4187	4.5261	4.5261	5.4187	5.2185	5.8046	6.5246	6.6791	6.9716	6.7199	6.7199	6.9716	7.1227	6.9842	6.6791	6.1533	6.1533	6.6791	6.5246	6.6791	6.0823	5.8046	6.1533	5.4998	4.6228	4.8477	4.1279
C10	4.5261	4.1279	2.8571	2.4745	3.7066	4.1279	3.5875	2.3614	1.4594		1.3976	2.4745	3.5875	4.6228	4.8477	5.8046	6.1533	5.4998	5.4998	4.6228	3.5875	2.4745	2.8571	2.4745	1.4594	2.3614	3.5875	4.5261	4.5261	5.4187	6.1533	6.1533	5.4187	5.2185	4.1279	3.7066	4.5261	4.1279	4.8477	5.8046	6.1533	6.7199	6.7199	6.9716	7.1227	6.9716	6.6791	6.0823	5.4998	5.8046	6.5246	6.6791	6.9842	6.6791	6.5246	6.6791	6.0823	5.4998	5.8046	5.2185
C11	4.5261	3.7066	2.4745	2.8571	4.1279	4.8477	4.6228	3.5875	2.4745	1.3976		1.4594	2.3614	3.5875	4.1279	5.2185	5.4187	4.5261	4.5261	3.5875	2.3614	1.4594	2.4745	2.8571	2.4745	3.5875	4.6228	5.4998	5.4998	6.1533	6.7199	6.7199	6.1533	5.8046	4.8477	4.1279	4.5261	3.7066	4.1279	5.2185	5.4187	6.1533	6.1533	6.6791	6.9842	6.6791	6.5246	5.8046	5.4998	6.0823	6.6791	6.9716	7.1227	6.9716	6.6791	6.5246	5.8046	5.4998	6.0823	5.8046
C12	3.5875	2.4745	1.3976	2.4745	3.5875	4.6228	4.8477	4.1279	2.8571	2.4745	1.4594		1.4594	2.4745	2.8571	4.1279	4.5261	3.7066	4.1279	3.5875	2.3614	2.3614	3.5875	4.1279	3.7066	4.5261	5.4998	6.0823	5.8046	6.1533	6.7199	6.9716	6.6791	6.5246	5.8046	5.2185	5.4187	4.5261	4.5261	5.4187	5.2185	5.8046	5.4998	6.0823	6.6791	6.5246	6.6791	6.1533	6.1533	6.6791	6.9842	7.1227	6.9716	6.7199	6.1533	5.8046	4.8477	4.6228	5.4998	5.4998
C13	4.1279	2.8571	2.4745	3.7066	4.5261	5.4998	5.8046	5.2185	4.1279	3.5875	2.3614	1.4594		1.3976	2.4745	3.5875	3.5875	2.4745	2.8571	2.4745	1.4594	2.3614	3.5875	4.5261	4.5261	5.4187	6.1533	6.6791	6.5246	6.6791	6.9716	7.1227	6.9842	6.6791	6.1533	5.4187	5.2185	4.1279	3.7066	4.5261	4.1279	4.8477	4.6228	5.4998	6.1533	5.8046	6.0823	5.4998	5.8046	6.5246	6.6791	6.9716	6.7199	6.7199	6.1533	5.4998	4.6228	4.8477	5.8046	6.0823
C14	3.7066	2.4745	2.8571	4.1279	4.5261	5.4998	6.0823	5.8046	4.8477	4.6228	3.5875	2.4745	1.3976		1.4594	2.3614	2.3614	1.4594	2.4745	2.8571	2.4745	3.5875	4.6228	5.4998	5.4998	6.1533	6.7199	6.9716	6.6791	6.5246	6.6791	6.9842	7.1227	6.9716	6.7199	6.1533	5.8046	4.8477	4.1279	4.5261	3.7066	4.1279	3.5875	4.5261	5.4187	5.2185	5.8046	5.4998	6.0823	6.6791	6.5246	6.6791	6.1533	6.1533	5.4187	4.5261	3.5875	4.1279	5.2185	5.8046
C15	2.4745	1.3976	2.4745	3.5875	3.5875	4.6228	5.4998	5.4998	4.6228	4.8477	4.1279	2.8571	2.4745	1.4594		1.4594	2.3614	2.3614	3.5875	4.1279	3.7066	4.5261	5.4998	6.0823	5.8046	6.1533	6.7199	6.7199	6.1533	5.8046	6.0823	6.6791	6.9716	7.1227	6.9716	6.6791	6.5246	5.8046	5.2185	5.4187	4.5261	4.5261	3.5875	4.1279	5.2185	5.4187	6.1533	6.1533	6.6791	6.9842	6.6791	6.5246	5.8046	5.4998	4.5261	3.7066	2.4745	2.8571	4.1279	4.8477
C16	2.8571	2.4745	3.7066	4.5261	4.1279	4.8477	5.8046	6.0823	5.4998	5.8046	5.2185	4.1279	3.5875	2.3614	1.4594		1.4594	2.3614	3.5875	4.5261	4.5261	5.4187	6.1533	6.6791	6.5246	6.6791	6.9716	6.7199	6.1533	5.4998	5.4998	6.1533	6.7199	6.9716	7.1227	6.9842	6.6791	6.1533	5.4187	5.2185	4.1279	3.7066	2.4745	2.8571	4.1279	4.5261	5.4998	5.8046	6.5246	6.6791	6.0823	5.8046	4.8477	4.6228	3.5875	2.4745	1.3976	2.4745	3.5875	4.6228
C17	4.1279	3.5875	4.5261	5.4187	5.2185	5.8046	6.5246	6.6791	6.1533	6.1533	5.4187	4.5261	3.5875	2.3614	2.3614	1.4594		1.4594	2.4745	3.7066	4.1279	5.2185	5.8046	6.5246	6.6791	6.9842	7.1227	6.9716	6.6791	6.0823	5.8046	6.1533	6.7199	6.7199	6.9716	6.6791	6.0823	5.4998	4.5261	4.1279	2.8571	2.4745	1.3976	2.4745	3.5875	3.5875	4.6228	4.8477	5.8046	6.1533	5.4998	5.4998	4.6228	4.8477	4.1279	2.8571	2.4745	3.7066	4.5261	5.4998
C18	4.5261	3.5875	4.1279	5.2185	5.4187	6.1533	6.6791	6.5246	5.8046	5.4998	4.5261	3.7066	2.4745	1.4594	2.3614	2.3614	1.4594		1.3976	2.4745	2.8571	4.1279	4.8477	5.8046	6.0823	6.6791	6.9716	7.1227	6.9842	6.6791	6.5246	6.6791	6.9716	6.7199	6.7199	6.1533	5.4998	4.6228	3.5875	3.5875	2.4745	2.8571	2.4745	3.7066	4.5261	4.1279	4.8477	4.6228	5.4998	6.1533	5.8046	6.0823	5.4998	5.8046	5.2185	4.1279	3.5875	4.5261	5.4187	6.1533
C19	5.4998	4.6228	4.8477	5.8046	6.1533	6.7199	6.9716	6.6791	6.0823	5.4998	4.5261	4.1279	2.8571	2.4745	3.5875	3.5875	2.4745	1.3976		1.4594	2.4745	3.7066	4.1279	5.2185	5.8046	6.5246	6.6791	6.9842	7.1227	6.9716	6.6791	6.5246	6.6791	6.1533	6.1533	5.4187	4.5261	3.5875	2.3614	2.3614	1.4594	2.4745	2.8571	4.1279	4.5261	3.7066	4.1279	3.5875	4.5261	5.4187	5.2185	5.8046	5.4998	6.0823	5.8046	4.8477	4.6228	5.4998	6.1533	6.7199
C20	5.8046	4.8477	4.6228	5.4998	6.1533	6.7199	6.7199	6.1533	5.4998	4.6228	3.5875	3.5875	2.4745	2.8571	4.1279	4.5261	3.7066	2.4745	1.4594		1.3976	2.4745	2.8571	4.1279	4.8477	5.8046	6.0823	6.6791	6.9716	7.1227	6.9842	6.6791	6.5246	5.8046	5.4998	4.5261	3.7066	2.4745	1.4594	2.3614	2.3614	3.5875	4.1279	5.2185	5.4187	4.5261	4.5261	3.5875	4.1279	5.2185	5.4187	6.1533	6.1533	6.6791	6.5246	5.8046	5.4998	6.0823	6.6791	6.9716
C21	5.2185	4.1279	3.5875	4.5261	5.4187	6.1533	6.1533	5.4187	4.5261	3.5875	2.3614	2.3614	1.4594	2.4745	3.7066	4.5261	4.1279	2.8571	2.4745	1.3976		1.4594	2.4745	3.7066	4.1279	5.2185	5.8046	6.5246	6.6791	6.9842	7.1227	6.9716	6.6791	6.0823	5.4998	4.5261	4.1279	2.8571	2.4745	3.5875	3.5875	4.6228	4.8477	5.8046	6.1533	5.4998	5.4998	4.6228	4.8477	5.8046	6.1533	6.7199	6.7199	6.9716	6.6791	6.0823	5.4998	5.8046	6.5246	6.6791
C22	5.4187	4.5261	3.5875	4.1279	5.2185	5.8046	5.4998	4.5261	3.7066	2.4745	1.4594	2.3614	2.3614	3.5875	4.5261	5.4187	5.2185	4.1279	3.7066	2.4745	1.4594		1.3976	2.4745	2.8571	4.1279	4.8477	5.8046	6.0823	6.6791	6.9716	6.7199	6.1533	5.4998	4.6228	3.5875	3.5875	2.4745	2.8571	4.1279	4.5261	5.4998	5.8046	6.5246	6.6791	6.0823	5.8046	4.8477	4.6228	5.4998	6.1533	6.7199	6.9716	7.1227	6.9842	6.6791	6.1533	6.1533	6.6791	6.5246
C23	6.1533	5.4998	4.6228	4.8477	5.8046	6.0823	5.4998	4.5261	4.1279	2.8571	2.4745	3.5875	3.5875	4.6228	5.4998	6.1533	5.8046	4.8477	4.1279	2.8571	2.4745	1.3976		1.4594	2.4745	3.7066	4.1279	5.2185	5.8046	6.5246	6.6791	6.1533	5.4187	4.5261	3.5875	2.3614	2.3614	1.4594	2.4745	3.7066	4.5261	5.4998	6.0823	6.6791	6.5246	5.8046	5.2185	4.1279	3.5875	4.5261	5.4187	6.1533	6.6791	6.9842	7.1227	6.9716	6.7199	6.7199	6.9716	6.6791
C24	6.1533	5.8046	4.8477	4.6228	5.4998	5.4998	4.6228	3.5875	3.5875	2.4745	2.8571	4.1279	4.5261	5.4998	6.0823	6.6791	6.5246	5.8046	5.2185	4.1279	3.7066	2.4745	1.4594		1.3976	2.4745	2.8571	4.1279	4.8477	5.8046	6.0823	5.4998	4.5261	3.7066	2.4745	1.4594	2.3614	2.3614	3.5875	4.5261	5.4187	6.1533	6.6791	6.9842	6.6791	6.1533	5.4187	4.5261	3.5875	4.1279	5.2185	5.8046	6.5246	6.6791	6.9716	7.1227	6.9716	6.7199	6.7199	6.1533
C25	5.4187	5.2185	4.1279	3.5875	4.5261	4.5261	3.5875	2.3614	2.3614	1.4594	2.4745	3.7066	4.5261	5.4998	5.8046	6.5246	6.6791	6.0823	5.8046	4.8477	4.1279	2.8571	2.4745	1.3976		1.4594	2.4745	3.7066	4.1279	5.2185	5.8046	5.4998	4.5261	4.1279	2.8571	2.4745	3.5875	3.5875	4.6228	5.4998	6.1533	6.7199	6.9716	7.1227	6.9716	6.7199	6.1533	5.4998	4.6228	4.8477	5.8046	6.0823	6.6791	6.5246	6.6791	6.9842	6.6791	6.1533	6.1533	5.4187
C26	5.2185	5.4187	4.5261	3.5875	4.1279	3.7066	2.4745	1.4594	2.3614	2.3614	3.5875	4.5261	5.4187	6.1533	6.1533	6.6791	6.9842	6.6791	6.5246	5.8046	5.2185	4.1279	3.7066	2.4745	1.4594		1.3976	2.4745	2.8571	4.1279	4.8477	4.6228	3.5875	3.5875	2.4745	2.8571	4.1279	4.5261	5.4998	6.0823	6.6791	6.9716	7.1227	6.9716	6.7199	6.7199	6.1533	5.8046	4.8477	4.6228	5.4998	5.4998	6.1533	5.8046	6.0823	6.6791	6.5246	5.8046	5.4998	4.5261
C27	5.8046	6.1533	5.4998	4.6228	4.8477	4.1279	2.8571	2.4745	3.5875	3.5875	4.6228	5.4998	6.1533	6.7199	6.7199	6.9716	7.1227	6.9716	6.6791	6.0823	5.8046	4.8477	4.1279	2.8571	2.4745	1.3976		1.4594	2.4745	3.7066	4.1279	3.5875	2.3614	2.3614	1.4594	2.4745	3.7066	4.5261	5.4998	5.8046	6.5246	6.6791	6.9842	6.6791	6.1533	6.1533	5.4187	5.2185	4.1279	3.5875	4.5261	4.5261	5.4187	5.2185	5.8046	6.5246	6.6791	6.0823	5.4998	4.5261
C28	5.4998	6.1533	5.8046	4.8477	4.6228	3.5875	2.4745	2.8571	4.1279	4.5261	5.4998	6.0823	6.6791	6.9716	6.7199	6.7199	6.9716	7.1227	6.9842	6.6791	6.5246	5.8046	5.2185	4.1279	3.7066	2.4745	1.4594		1.3976	2.4745	2.8571	2.4745	1.4594	2.3614	2.3614	3.5875	4.5261	5.4187	6.1533	6.1533	6.6791	6.5246	6.6791	6.0823	5.4998	5.8046	5.2185	5.4187	4.5261	3.5875	4.1279	3.7066	4.5261	4.1279	4.8477	5.8046	6.1533	5.4998	4.6228	3.5875
C29	4.5261	5.4187	5.2185	4.1279	3.5875	2.3614	1.4594	2.4745	3.7066	4.5261	5.4998	5.8046	6.5246	6.6791	6.1533	6.1533	6.6791	6.9842	7.1227	6.9716	6.6791	6.0823	5.8046	4.8477	4.1279	2.8571	2.4745	1.3976		1.4594	2.4745	2.8571	2.4745	3.5875	3.5875	4.6228	5.4998	6.1533	6.7199	6.7199	6.9716	6.6791	6.5246	5.8046	5.4998	6.0823	5.8046	6.1533	5.4998	4.6228	4.8477	4.1279	4.5261	3.7066	4.1279	5.2185	5.4187	4.5261	3.5875	2.3614
C30	4.1279	5.2185	5.4187	4.5261	3.5875	2.3614	2.3614	3.5875	4.5261	5.4187	6.1533	6.1533	6.6791	6.5246	5.8046	5.4998	6.0823	6.6791	6.9716	7.1227	6.9842	6.6791	6.5246	5.8046	5.2185	4.1279	3.7066	2.4745	1.4594		1.3976	2.4745	2.8571	4.1279	4.5261	5.4998	6.0823	6.6791	6.9716	6.7199	6.7199	6.1533	5.8046	4.8477	4.6228	5.4998	5.4998	6.1533	5.8046	4.8477	4.6228	3.5875	3.5875	2.4745	2.8571	4.1279	4.5261	3.7066	2.4745	1.4594
C31	4.8477	5.8046	6.1533	5.4998	4.6228	3.5875	3.5875	4.6228	5.4998	6.1533	6.7199	6.7199	6.9716	6.6791	6.0823	5.4998	5.8046	6.5246	6.6791	6.9842	7.1227	6.9716	6.6791	6.0823	5.8046	4.8477	4.1279	2.8571	2.4745	1.3976		1.4594	2.4745	3.7066	4.5261	5.4998	5.8046	6.5246	6.6791	6.1533	6.1533	5.4187	5.2185	4.1279	3.5875	4.5261	4.5261	5.4187	5.2185	4.1279	3.5875	2.3614	2.3614	1.4594	2.4745	3.7066	4.5261	4.1279	2.8571	2.4745
C32	5.8046	6.5246	6.6791	6.0823	5.4998	4.5261	4.1279	4.8477	5.8046	6.1533	6.7199	6.9716	7.1227	6.9842	6.6791	6.1533	6.1533	6.6791	6.5246	6.6791	6.9716	6.7199	6.1533	5.4998	5.4998	4.6228	3.5875	2.4745	2.8571	2.4745	1.4594		1.3976	2.4745	3.5875	4.6228	4.8477	5.8046	6.0823	5.4998	5.8046	5.2185	5.4187	4.5261	3.5875	4.1279	3.7066	4.5261	4.1279	2.8571	2.4745	1.4594	2.3614	2.3614	3.5875	4.5261	5.4187	5.2185	4.1279	3.7066
C33	6.0823	6.6791	6.5246	5.8046	5.4998	4.5261	3.7066	4.1279	5.2185	5.4187	6.1533	6.6791	6.9842	7.1227	6.9716	6.7199	6.7199	6.9716	6.6791	6.5246	6.6791	6.1533	5.4187	4.5261	4.5261	3.5875	2.3614	1.4594	2.4745	2.8571	2.4745	1.3976		1.4594	2.3614	3.5875	4.1279	5.2185	5.8046	5.4998	6.0823	5.8046	6.1533	5.4998	4.6228	4.8477	4.1279	4.5261	3.7066	2.4745	2.8571	2.4745	3.5875	3.5875	4.6228	5.4998	6.1533	5.8046	4.8477	4.1279
C34	6.6791	6.9842	6.6791	6.1533	6.1533	5.4187	4.5261	4.5261	5.4187	5.2185	5.8046	6.5246	6.6791	6.9716	7.1227	6.9716	6.7199	6.7199	6.1533	5.8046	6.0823	5.4998	4.5261	3.7066	4.1279	3.5875	2.3614	2.3614	3.5875	4.1279	3.7066	2.4745	1.4594		1.4594	2.4745	2.8571	4.1279	4.8477	4.6228	5.4998	5.4998	6.1533	5.8046	4.8477	4.6228	3.5875	3.5875	2.4745	1.3976	2.4745	2.8571	4.1279	4.5261	5.4998	6.0823	6.6791	6.5246	5.8046	5.2185
C35	6.5246	6.6791	6.0823	5.4998	5.8046	5.2185	4.1279	3.7066	4.5261	4.1279	4.8477	5.8046	6.1533	6.7199	6.9716	7.1227	6.9716	6.7199	6.1533	5.4998	5.4998	4.6228	3.5875	2.4745	2.8571	2.4745	1.4594	2.3614	3.5875	4.5261	4.5261	3.5875	2.3614	1.4594		1.3976	2.4745	3.5875	4.6228	4.8477	5.8046	6.0823	6.6791	6.5246	5.8046	5.4998	4.5261	4.1279	2.8571	2.4745	3.7066	4.1279	5.2185	5.4187	6.1533	6.6791	6.9842	6.6791	6.1533	5.4187
C36	6.6791	6.5246	5.8046	5.4998	6.0823	5.8046	4.8477	4.1279	4.5261	3.7066	4.1279	5.2185	5.4187	6.1533	6.6791	6.9842	6.6791	6.1533	5.4187	4.5261	4.5261	3.5875	2.3614	1.4594	2.4745	2.8571	2.4745	3.5875	4.6228	5.4998	5.4998	4.6228	3.5875	2.4745	1.3976		1.4594	2.3614	3.5875	4.1279	5.2185	5.8046	6.5246	6.6791	6.0823	5.4998	4.5261	3.7066	2.4745	2.8571	4.1279	4.8477	5.8046	6.1533	6.7199	6.9716	7.1227	6.9716	6.7199	6.1533
C37	6.9842	6.6791	6.1533	6.1533	6.6791	6.5246	5.8046	5.2185	5.4187	4.5261	4.5261	5.4187	5.2185	5.8046	6.5246	6.6791	6.0823	5.4998	4.5261	3.7066	4.1279	3.5875	2.3614	2.3614	3.5875	4.1279	3.7066	4.5261	5.4998	6.0823	5.8046	4.8477	4.1279	2.8571	2.4745	1.4594		1.4594	2.4745	2.8571	4.1279	4.8477	5.8046	6.1533	5.4998	4.6228	3.5875	2.4745	1.3976	2.4745	3.5875	4.6228	5.4998	6.1533	6.7199	6.7199	6.9716	7.1227	6.9716	6.6791
C38	6.6791	6.0823	5.4998	5.8046	6.5246	6.6791	6.1533	5.4187	5.2185	4.1279	3.7066	4.5261	4.1279	4.8477	5.8046	6.1533	5.4998	4.6228	3.5875	2.4745	2.8571	2.4745	1.4594	2.3614	3.5875	4.5261	4.5261	5.4187	6.1533	6.6791	6.5246	5.8046	5.2185	4.1279	3.5875	2.3614	1.4594		1.3976	2.4745	3.5875	4.6228	5.4998	6.1533	5.8046	4.8477	4.1279	2.8571	2.4745	3.7066	4.5261	5.4998	6.0823	6.6791	6.9716	6.7199	6.7199	6.9716	7.1227	6.9842
C39	6.5246	5.8046	5.4998	6.0823	6.6791	6.9716	6.7199	6.1533	5.8046	4.8477	4.1279	4.5261	3.7066	4.1279	5.2185	5.4187	4.5261	3.5875	2.3614	1.4594	2.4745	2.8571	2.4745	3.5875	4.6228	5.4998	5.4998	6.1533	6.7199	6.9716	6.6791	6.0823	5.8046	4.8477	4.6228	3.5875	2.4745	1.3976		1.4594	2.3614	3.5875	4.5261	5.4187	5.2185	4.1279	3.7066	2.4745	2.8571	4.1279	4.5261	5.4998	5.8046	6.5246	6.6791	6.1533	6.1533	6.6791	6.9842	7.1227
C40	6.6791	6.1533	6.1533	6.6791	6.9842	7.1227	6.9716	6.6791	6.5246	5.8046	5.2185	5.4187	4.5261	4.5261	5.4187	5.2185	4.1279	3.5875	2.3614	2.3614	3.5875	4.1279	3.7066	4.5261	5.4998	6.0823	5.8046	6.1533	6.7199	6.7199	6.1533	5.4998	5.4998	4.6228	4.8477	4.1279	2.8571	2.4745	1.4594		1.4594	2.4745	3.7066	4.5261	4.1279	2.8571	2.4745	1.3976	2.4745	3.5875	3.5875	4.6228	4.8477	5.8046	6.0823	5.4998	5.8046	6.5246	6.6791	6.9716
C41	6.0823	5.4998	5.8046	6.5246	6.6791	6.9716	7.1227	6.9842	6.6791	6.1533	5.4187	5.2185	4.1279	3.7066	4.5261	4.1279	2.8571	2.4745	1.4594	2.3614	3.5875	4.5261	4.5261	5.4187	6.1533	6.6791	6.5246	6.6791	6.9716	6.7199	6.1533	5.8046	6.0823	5.4998	5.8046	5.2185	4.1279	3.5875	2.3614	1.4594		1.3976	2.4745	3.5875	3.5875	2.4745	2.8571	2.4745	3.7066	4.5261	4.1279	4.8477	4.6228	5.4998	5.4998	4.6228	4.8477	5.8046	6.1533	6.7199
C42	5.8046	5.4998	6.0823	6.6791	6.5246	6.6791	6.9842	7.1227	6.9716	6.7199	6.1533	5.8046	4.8477	4.1279	4.5261	3.7066	2.4745	2.8571	2.4745	3.5875	4.6228	5.4998	5.4998	6.1533	6.7199	6.9716	6.6791	6.5246	6.6791	6.1533	5.4187	5.2185	5.8046	5.4998	6.0823	5.8046	4.8477	4.6228	3.5875	2.4745	1.3976		1.4594	2.3614	2.3614	1.4594	2.4745	2.8571	4.1279	4.5261	3.7066	4.1279	3.5875	4.5261	4.5261	3.5875	4.1279	5.2185	5.4187	6.1533
C43	4.8477	4.6228	5.4998	6.1533	5.8046	6.0823	6.6791	6.9716	6.7199	6.7199	6.1533	5.4998	4.6228	3.5875	3.5875	2.4745	1.3976	2.4745	2.8571	4.1279	4.8477	5.8046	6.0823	6.6791	6.9716	7.1227	6.9842	6.6791	6.5246	5.8046	5.2185	5.4187	6.1533	6.1533	6.6791	6.5246	5.8046	5.4998	4.5261	3.7066	2.4745	1.4594		1.4594	2.3614	2.3614	3.5875	4.1279	5.2185	5.4187	4.5261	4.5261	3.5875	4.1279	3.7066	2.4745	2.8571	4.1279	4.5261	5.4998
C44	4.6228	4.8477	5.8046	6.1533	5.4998	5.4998	6.1533	6.7199	6.7199	6.9716	6.6791	6.0823	5.4998	4.5261	4.1279	2.8571	2.4745	3.7066	4.1279	5.2185	5.8046	6.5246	6.6791	6.9842	7.1227	6.9716	6.6791	6.0823	5.8046	4.8477	4.1279	4.5261	5.4998	5.8046	6.5246	6.6791	6.1533	6.1533	5.4187	4.5261	3.5875	2.3614	1.4594		1.4594	2.3614	3.5875	4.5261	5.4187	5.2185	4.1279	3.7066	2.4745	2.8571	2.4745	1.3976	2.4745	3.5875	3.5875	4.6228
C45	5.4998	5.8046	6.5246	6.6791	6.0823	5.8046	6.1533	6.7199	6.9716	7.1227	6.9842	6.6791	6.1533	5.4187	5.2185	4.1279	3.5875	4.5261	4.5261	5.4187	6.1533	6.6791	6.5246	6.6791	6.9716	6.7199	6.1533	5.4998	5.4998	4.6228	3.5875	3.5875	4.6228	4.8477	5.8046	6.0823	5.4998	5.8046	5.2185	4.1279	3.5875	2.3614	2.3614	1.4594		1.4594	2.4745	3.7066	4.5261	4.1279	2.8571	2.4745	1.3976	2.4745	2.8571	2.4745	3.7066	4.5261	4.1279	4.8477
C46	6.1533	6.1533	6.6791	6.9842	6.6791	6.5246	6.6791	6.9716	7.1227	6.9716	6.6791	6.5246	5.8046	5.2185	5.4187	4.5261	3.5875	4.1279	3.7066	4.5261	5.4998	6.0823	5.8046	6.1533	6.7199	6.7199	6.1533	5.8046	6.0823	5.4998	4.5261	4.1279	4.8477	4.6228	5.4998	5.4998	4.6228	4.8477	4.1279	2.8571	2.4745	1.4594	2.3614	2.3614	1.4594		1.3976	2.4745	3.5875	3.5875	2.4745	2.8571	2.4745	3.7066	4.1279	3.5875	4.5261	5.4187	5.2185	5.8046
C47	6.7199	6.7199	6.9716	7.1227	6.9716	6.6791	6.5246	6.6791	6.9842	6.6791	6.5246	6.6791	6.0823	5.8046	6.1533	5.4998	4.6228	4.8477	4.1279	4.5261	5.4998	5.8046	5.2185	5.4187	6.1533	6.1533	5.4187	5.2185	5.8046	5.4998	4.5261	3.7066	4.1279	3.5875	4.5261	4.5261	3.5875	4.1279	3.7066	2.4745	2.8571	2.4745	3.5875	3.5875	2.4745	1.3976		1.4594	2.3614	2.3614	1.4594	2.4745	2.8571	4.1279	4.8477	4.6228	5.4998	6.1533	5.8046	6.0823
C48	6.9716	6.7199	6.7199	6.9716	7.1227	6.9842	6.6791	6.5246	6.6791	6.0823	5.8046	6.1533	5.4998	5.4998	6.1533	5.8046	4.8477	4.6228	3.5875	3.5875	4.6228	4.8477	4.1279	4.5261	5.4998	5.8046	5.2185	5.4187	6.1533	6.1533	5.4187	4.5261	4.5261	3.5875	4.1279	3.7066	2.4745	2.8571	2.4745	1.3976	2.4745	2.8571	4.1279	4.5261	3.7066	2.4745	1.4594		1.4594	2.3614	2.3614	3.5875	4.1279	5.2185	5.8046	5.4998	6.0823	6.6791	6.5246	6.6791
C49	7.1227	6.9716	6.7199	6.7199	6.9716	6.6791	6.0823	5.8046	6.1533	5.4998	5.4998	6.1533	5.8046	6.0823	6.6791	6.5246	5.8046	5.4998	4.5261	4.1279	4.8477	4.6228	3.5875	3.5875	4.6228	4.8477	4.1279	4.5261	5.4998	5.8046	5.2185	4.1279	3.7066	2.4745	2.8571	2.4745	1.3976	2.4745	2.8571	2.4745	3.7066	4.1279	5.2185	5.4187	4.5261	3.5875	2.3614	1.4594		1.4594	2.3614	3.5875	4.5261	5.4187	6.1533	6.1533	6.6791	6.9842	6.6791	6.5246
C50	6.9716	7.1227	6.9716	6.7199	6.7199	6.1533	5.4998	5.4998	6.1533	5.8046	6.0823	6.6791	6.5246	6.6791	6.9842	6.6791	6.1533	6.1533	5.4187	5.2185	5.8046	5.4998	4.5261	4.1279	4.8477	4.6228	3.5875	3.5875	4.6228	4.8477	4.1279	2.8571	2.4745	1.3976	2.4745	2.8571	2.4745	3.7066	4.1279	3.5875	4.5261	4.5261	5.4187	5.2185	4.1279	3.5875	2.3614	2.3614	1.4594		1.4594	2.4745	3.7066	4.5261	5.4998	5.8046	6.5246	6.6791	6.0823	5.8046
C51	6.7199	6.9716	7.1227	6.9716	6.7199	6.1533	5.8046	6.0823	6.6791	6.5246	6.6791	6.9842	6.6791	6.5246	6.6791	6.0823	5.4998	5.8046	5.2185	5.4187	6.1533	6.1533	5.4187	5.2185	5.8046	5.4998	4.5261	4.1279	4.8477	4.6228	3.5875	2.4745	2.8571	2.4745	3.7066	4.1279	3.5875	4.5261	4.5261	3.5875	4.1279	3.7066	4.5261	4.1279	2.8571	2.4745	1.4594	2.3614	2.3614	1.4594		1.3976	2.4745	3.5875	4.6228	4.8477	5.8046	6.1533	5.4998	5.4998
C52	6.1533	6.6791	6.9842	6.6791	6.1533	5.4187	5.2185	5.8046	6.5246	6.6791	6.9716	7.1227	6.9716	6.6791	6.5246	5.8046	5.4998	6.0823	5.8046	6.1533	6.7199	6.7199	6.1533	5.8046	6.0823	5.4998	4.5261	3.7066	4.1279	3.5875	2.3614	1.4594	2.4745	2.8571	4.1279	4.8477	4.6228	5.4998	5.4998	4.6228	4.8477	4.1279	4.5261	3.7066	2.4745	2.8571	2.4745	3.5875	3.5875	2.4745	1.3976		1.4594	2.3614	3.5875	4.1279	5.2185	5.4187	4.5261	4.5261
C53	5.4998	6.0823	6.6791	6.5246	5.8046	5.2185	5.4187	6.1533	6.6791	6.9842	7.1227	6.9716	6.7199	6.1533	5.8046	4.8477	4.6228	5.4998	5.4998	6.1533	6.7199	6.9716	6.6791	6.5246	6.6791	6.1533	5.4187	4.5261	4.5261	3.5875	2.3614	2.3614	3.5875	4.1279	5.2185	5.8046	5.4998	6.0823	5.8046	4.8477	4.6228	3.5875	3.5875	2.4745	1.3976	2.4745	2.8571	4.1279	4.5261	3.7066	2.4745	1.4594		1.4594	2.4745	2.8571	4.1279	4.5261	3.7066	4.1279
C54	4.6228	5.4998	6.1533	5.8046	4.8477	4.1279	4.5261	5.4998	6.0823	6.6791	6.9716	6.7199	6.7199	6.1533	5.4998	4.6228	4.8477	5.8046	6.0823	6.6791	6.9716	7.1227	6.9842	6.6791	6.5246	5.8046	5.2185	4.1279	3.7066	2.4745	1.4594	2.3614	3.5875	4.5261	5.4187	6.1533	6.1533	6.6791	6.5246	5.8046	5.4998	4.5261	4.1279	2.8571	2.4745	3.7066	4.1279	5.2185	5.4187	4.5261	3.5875	2.3614	1.4594		1.3976	2.4745	3.5875	3.5875	2.4745	2.8571
C55	3.5875	4.5261	5.4187	5.2185	4.1279	3.7066	4.5261	5.4998	5.8046	6.5246	6.6791	6.1533	6.1533	5.4187	4.5261	3.5875	4.1279	5.2185	5.8046	6.5246	6.6791	6.9842	7.1227	6.9716	6.6791	6.0823	5.8046	4.8477	4.1279	2.8571	2.4745	3.5875	4.6228	5.4998	6.1533	6.7199	6.7199	6.9716	6.6791	6.0823	5.4998	4.5261	3.7066	2.4745	2.8571	4.1279	4.8477	5.8046	6.1533	5.4998	4.6228	3.5875	2.4745	1.3976		1.4594	2.3614	2.3614	1.4594	2.4745
C56	3.5875	4.1279	5.2185	5.4187	4.5261	4.5261	5.4187	6.1533	6.1533	6.6791	6.5246	5.8046	5.4998	4.5261	3.7066	2.4745	2.8571	4.1279	4.8477	5.8046	6.0823	6.6791	6.9716	7.1227	6.9842	6.6791	6.5246	5.8046	5.2185	4.1279	3.7066	4.5261	5.4998	6.0823	6.6791	6.9716	6.7199	6.7199	6.1533	5.4998	4.6228	3.5875	2.4745	1.3976	2.4745	3.5875	4.6228	5.4998	6.1533	5.8046	4.8477	4.1279	2.8571	2.4745	1.4594		1.4594	2.3614	2.3614	3.5875
C57	2.4745	2.8571	4.1279	4.5261	3.7066	4.1279	5.2185	5.8046	5.4998	6.0823	5.8046	4.8477	4.6228	3.5875	2.4745	1.3976	2.4745	3.5875	4.6228	5.4998	5.4998	6.1533	6.7199	6.9716	6.6791	6.5246	6.6791	6.1533	5.4187	4.5261	4.5261	5.4187	6.1533	6.6791	6.9842	7.1227	6.9716	6.7199	6.1533	5.8046	4.8477	4.1279	2.8571	2.4745	3.7066	4.5261	5.4998	6.0823	6.6791	6.5246	5.8046	5.2185	4.1279	3.5875	2.3614	1.4594		1.4594	2.3614	3.5875
C58	1.3976	2.4745	3.5875	3.5875	2.4745	2.8571	4.1279	4.8477	4.6228	5.4998	5.4998	4.6228	4.8477	4.1279	2.8571	2.4745	3.7066	4.5261	5.4998	6.0823	5.8046	6.1533	6.7199	6.7199	6.1533	5.8046	6.0823	5.4998	4.5261	3.7066	4.1279	5.2185	5.8046	6.5246	6.6791	6.9716	7.1227	6.9716	6.6791	6.5246	5.8046	5.2185	4.1279	3.5875	4.5261	5.4187	6.1533	6.6791	6.9842	6.6791	6.1533	5.4187	4.5261	3.5875	2.3614	2.3614	1.4594		1.4594	2.4745
C59	2.4745	3.7066	4.5261	4.1279	2.8571	2.4745	3.5875	4.6228	4.8477	5.8046	6.0823	5.4998	5.8046	5.2185	4.1279	3.5875	4.5261	5.4187	6.1533	6.6791	6.5246	6.6791	6.9716	6.7199	6.1533	5.4998	5.4998	4.6228	3.5875	2.4745	2.8571	4.1279	4.8477	5.8046	6.1533	6.7199	6.9716	7.1227	6.9842	6.6791	6.1533	5.4187	4.5261	3.5875	4.1279	5.2185	5.8046	6.5246	6.6791	6.0823	5.4998	4.5261	3.7066	2.4745	1.4594	2.3614	2.3614	1.4594		1.3976
C60	2.8571	4.1279	4.5261	3.7066	2.4745	1.4594	2.3614	3.5875	4.1279	5.2185	5.8046	5.4998	6.0823	5.8046	4.8477	4.6228	5.4998	6.1533	6.7199	6.9716	6.6791	6.5246	6.6791	6.1533	5.4187	4.5261	4.5261	3.5875	2.3614	1.4594	2.4745	3.7066	4.1279	5.2185	5.4187	6.1533	6.6791	6.9842	7.1227	6.9716	6.7199	6.1533	5.4998	4.6228	4.8477	5.8046	6.0823	6.6791	6.5246	5.8046	5.4998	4.5261	4.1279	2.8571	2.4745	3.5875	3.5875	2.4745	1.3976

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/6-31G 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 -331.761 0.000 0.000 y 0.000 -331.761 0.000 z 0.000 0.000 -331.761

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	68.265	0.000	0.000
y	0.000	68.265	0.000
z	0.000	0.000	68.265

<r²> (average value of r²) Ų

<r2>	4773.189
(<r2>)1/2	69.088