All results from a given calculation for C₆₀ (Buckminsterfullerene)

Energy calculated at B3PW91/TZVP

	hartrees
Energy at 0K	-2285.931966
Energy at 298.15K	-2285.931104
HF Energy	-2285.931966
Nuclear repulsion energy	8370.122920

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 B3PW91/TZVP

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	1625	1567	0.00
2	?a	1624	1566	0.00
3	?a	1624	1566	0.00
4	?a	1624	1566	0.00
4	?a	1623	1566	0.00
4	?a	1545	1490	0.00
5	?a	1545	1490	0.00
5	?a	1545	1490	0.00
5	?a	1545	1489	0.00
6	?a	1517	1463	0.00
6	?a	1465	1412	0.00
6	?a	1464	1412	0.00
7	?a	1464	1412	0.00
7	?a	1464	1412	0.00
7	?a	1463	1411	0.00
8	?a	1376	1327	0.00
8	?a	1375	1326	0.00
8	?a	1375	1326	0.00
9	?a	1341	1293	0.00
9	?a	1340	1292	0.00
9	?a	1339	1292	0.00
10	?a	1339	1291	0.00
10	?a	1306	1259	0.00
10	?a	1306	1259	0.00
11	?a	1306	1259	0.00
11	?a	1285	1239	0.00
11	?a	1284	1238	0.00
12	?a	1284	1238	0.00
12	?a	1283	1237	0.00
12	?a	1283	1237	0.00
13	?a	1135	1095	0.00
13	?a	1135	1094	0.00
13	?a	1135	1094	0.00
14	?a	1134	1094	0.00
14	?a	1134	1094	0.00
14	?a	1104	1064	0.00
15	?a	1103	1064	0.00
15	?a	1103	1064	0.00
15	?a	1103	1064	0.00
16	?a	833	804	0.00
16	?a	833	803	0.00
16	?a	833	803	0.00
17	?a	809	780	0.00
17	?a	808	779	0.00
17	?a	808	779	0.00
18	?a	795	767	0.00
18	?a	795	767	0.00
81	?a	795	767	0.00
19	?a	795	766	0.00
19	?a	795	766	0.00
19	?a	778	750	0.00
20	?a	777	749	0.00
20	?a	777	749	0.00
20	?a	775	747	0.00
20	?a	746	719	0.00
21	?a	745	719	0.00
21	?a	744	717	0.00
21	?a	731	705	0.00
21	?a	730	704	0.00
22	?a	730	704	0.00
22	?a	728	702	0.00
22	?a	727	702	0.00
22	?a	581	560	0.00
23	?a	581	560	0.00
23	?a	580	559	0.00
23	?a	580	559	0.00
23	?a	580	559	0.00
24	?a	579	559	0.00
24	?a	579	558	0.00
24	?a	566	546	0.00
24	?a	566	546	0.00
25	?a	565	545	0.00
25	?a	502	484	0.00
25	?a	494	477	0.00
25	?a	494	476	0.00
26	?a	494	476	0.00
26	?a	493	476	0.00
26	?a	441	426	0.00
26	?a	441	425	0.00
27	?a	440	425	0.00
27	?a	440	424	0.00
27	?a	440	424	0.00
27	?a	268	258	0.00
28	?a	268	258	0.00
28	?a	267	258	0.00
28	?a	267	258	0.00
28	?a	267	258	0.00
29	?b	1615	1558	0.00
29	?b	1614	1557	0.00
29	?b	1614	1557	0.00
29	?b	1614	1556	0.00
30	?b	1613	1556	0.00
30	?b	1576	1520	0.00
30	?b	1576	1519	0.00
30	?b	1575	1519	0.00
31	?b	1473	1420	15.23
31	?b	1472	1419	15.67
31	?b	1472	1419	15.39
31	?b	1471	1418	0.05
32	?b	1470	1418	0.64
32	?b	1470	1418	0.40
32	?b	1470	1417	0.96
32	?b	1375	1326	0.00
32	?b	1375	1326	0.00
33	?b	1375	1326	0.00
33	?b	1375	1326	0.00
33	?b	1374	1325	0.00
33	?b	1341	1293	0.00
33	?b	1340	1292	0.00
34	?b	1340	1292	0.00
34	?b	1339	1291	0.00
34	?b	1252	1207	0.00
34	?b	1251	1206	0.00
34	?b	1251	1206	0.00
35	?b	1250	1205	0.00
35	?b	1249	1205	0.01
35	?b	1223	1179	9.46
35	?b	1222	1179	9.50
35	?b	1222	1178	9.50
36	?b	1211	1168	0.01
36	?b	1211	1168	0.00
36	?b	1210	1167	0.01
36	?b	990	955	0.00
36	?b	990	955	0.00
37	?b	990	955	0.00
37	?b	990	954	0.00
37	?b	988	953	0.00
37	?b	988	953	0.00
37	?b	987	952	0.00
38	?b	931	898	0.00
38	?b	776	748	0.00
38	?b	776	748	0.00
38	?b	775	747	0.00
38	?b	774	746	0.00
39	?b	763	735	0.00
39	?b	762	735	0.00
39	?b	761	734	0.00
39	?b	761	734	0.00
39	?b	755	728	0.00
40	?b	755	728	0.00
40	?b	755	728	0.00
40	?b	753	727	0.00
40	?b	752	726	0.00
40	?b	736	710	0.00
41	?b	736	710	0.00
41	?b	734	707	0.00
41	?b	680	655	0.00
41	?b	679	655	0.00
41	?b	679	655	0.00
42	?b	679	654	0.00
42	?b	678	654	0.00
42	?b	595	574	14.60
42	?b	594	573	14.34
42	?b	594	573	14.46
43	?b	547	528	4.06
43	?b	547	527	6.43
43	?b	546	527	1.63
43	?b	546	526	3.06
43	?b	545	525	5.49
44	?b	544	524	25.53
44	?b	544	524	23.94
44	?b	543	524	19.76
44	?b	411	396	0.00
44	?b	411	396	0.00
45	?b	410	396	0.00
45	?b	410	395	0.00
45	?b	410	395	0.00
45	?b	361	348	0.00
45	?b	360	347	0.00
46	?b	359	347	0.00
46	?b	359	346	0.00
46	?b	347	334	0.00
46	?b	345	333	0.00
46	?b	345	333	0.00

Unscaled Zero Point Vibrational Energy (zpe) 82810.0 cm^-1
Scaled (by 0.9643) Zero Point Vibrational Energy (zpe) 79853.6 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 B3PW91/TZVP

A	B	C
0.00282	0.00282	0.00282

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

Geometric Data calculated at B3PW91/TZVP

Point Group is I_h

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.230	3.310
C2	-1.170	0.380	3.310
C3	-0.723	-0.995	3.310
C4	0.723	-0.995	3.310
C5	1.170	0.380	3.310
C6	2.293	0.745	2.581
C7	3.016	-0.250	1.820
C8	2.587	-1.570	1.820
C9	1.417	-1.950	2.581
C10	0.694	-2.946	1.820
C11	-0.694	-2.946	1.820
C12	-1.417	-1.950	2.581
C13	-2.587	-1.570	1.820
C14	-3.016	-0.250	1.820
C15	-2.293	0.745	2.581
C16	-2.293	1.975	1.820
C17	-3.016	1.740	0.590
C18	-3.463	0.365	0.590
C19	-3.463	-0.365	-0.590
C20	-3.016	-1.740	-0.590
C21	-2.587	-2.330	0.590
C22	-1.417	-3.181	0.590
C23	-0.723	-3.406	-0.590
C24	0.723	-3.406	-0.590
C25	1.417	-3.181	0.590
C26	2.587	-2.330	0.590
C27	3.016	-1.740	-0.590
C28	3.463	-0.365	-0.590
C29	3.463	0.365	0.590
C30	3.016	1.740	0.590
C31	2.587	2.330	-0.590
C32	2.587	1.570	-1.820
C33	3.016	0.250	-1.820
C34	2.293	-0.745	-2.581
C35	2.293	-1.975	-1.820
C36	1.170	-2.791	-1.820
C37	0.000	-2.411	-2.581
C38	-1.170	-2.791	-1.820
C39	-2.293	-1.975	-1.820
C40	-2.293	-0.745	-2.581
C41	-3.016	0.250	-1.820
C42	-2.587	1.570	-1.820
C43	-2.587	2.330	-0.590
C44	-1.417	3.181	-0.590
C45	-0.694	2.946	-1.820
C46	-1.417	1.950	-2.581
C47	-0.723	0.995	-3.310
C48	-1.170	-0.380	-3.310
C49	0.000	-1.230	-3.310
C50	1.170	-0.380	-3.310
C51	0.723	0.995	-3.310
C52	1.417	1.950	-2.581
C53	0.694	2.946	-1.820
C54	1.417	3.181	-0.590
C55	0.723	3.406	0.590
C56	-0.723	3.406	0.590
C57	-1.170	2.791	1.820
C58	0.000	2.411	2.581
C59	1.170	2.791	1.820
C60	2.293	1.975	1.820

Atom - Atom Distances (Å)

	C1	C2	C3	C4	C5	C6	C7	C8	C9	C10	C11	C12	C13	C14	C15	C16	C17	C18	C19	C20	C21	C22	C23	C24	C25	C26	C27	C28	C29	C30	C31	C32	C33	C34	C35	C36	C37	C38	C39	C40	C41	C42	C43	C44	C45	C46	C47	C48	C49	C50	C51	C52	C53	C54	C55	C56	C57	C58	C59	C60
C1		1.4462	2.3400	2.3400	1.4462	2.4545	3.6752	4.0932	3.5575	4.4876	4.4876	3.5575	4.0932	3.6752	2.4545	2.8340	4.0932	4.4876	5.4543	5.7562	5.1740	5.3723	6.1018	6.1018	5.3723	5.1740	5.7562	5.4543	4.4876	4.0932	4.8081	5.7562	6.0317	6.6230	6.4697	6.6230	6.9255	6.6230	6.4697	6.6230	6.0317	5.7562	4.8081	4.5855	5.4543	6.1018	6.6643	6.9135	7.0631	6.9135	6.6643	6.1018	5.4543	4.5855	3.5575	3.5575	2.4545	1.3878	2.4545	2.8340
C2	1.4462		1.4462	2.3400	2.3400	3.5575	4.4876	4.4876	3.5575	4.0932	3.6752	2.4545	2.8340	2.4545	1.3878	2.4545	3.5575	3.5575	4.5855	4.8081	4.0932	4.4876	5.4543	5.7562	5.1740	5.3723	6.1018	6.1018	5.3723	5.1740	5.7562	6.4697	6.6230	6.9255	6.6230	6.4697	6.6230	6.0317	5.7562	6.1018	5.4543	5.4543	4.5855	4.8081	5.7562	6.1018	6.6643	6.6643	6.9135	7.0631	6.9135	6.6230	6.0317	5.4543	4.4876	4.0932	2.8340	2.4545	3.6752	4.0932
C3	2.3400	1.4462		1.4462	2.3400	3.5575	4.0932	3.6752	2.4545	2.8340	2.4545	1.3878	2.4545	2.8340	2.4545	3.6752	4.4876	4.0932	4.8081	4.5855	3.5575	3.5575	4.5855	4.8081	4.0932	4.4876	5.4543	5.7562	5.1740	5.3723	6.1018	6.6230	6.4697	6.6230	6.0317	5.7562	6.1018	5.4543	5.4543	6.1018	5.7562	6.0317	5.4543	5.7562	6.4697	6.6230	6.9135	6.6643	6.6643	6.9135	7.0631	6.9255	6.6230	6.1018	5.3723	5.1740	4.0932	3.5575	4.4876	4.4876
C4	2.3400	2.3400	1.4462		1.4462	2.4545	2.8340	2.4545	1.3878	2.4545	2.8340	2.4545	3.6752	4.0932	3.5575	4.4876	5.3723	5.1740	5.7562	5.4543	4.4876	4.0932	4.8081	4.5855	3.5575	3.5575	4.5855	4.8081	4.0932	4.4876	5.4543	6.0317	5.7562	6.1018	5.4543	5.4543	6.1018	5.7562	6.0317	6.6230	6.4697	6.6230	6.1018	6.1018	6.6230	6.9255	7.0631	6.9135	6.6643	6.6643	6.9135	6.6230	6.4697	5.7562	5.1740	5.3723	4.4876	3.5575	4.0932	3.6752
C5	1.4462	2.3400	2.3400	1.4462		1.3878	2.4545	2.8340	2.4545	3.6752	4.0932	3.5575	4.4876	4.4876	3.5575	4.0932	5.1740	5.3723	6.1018	6.1018	5.3723	5.1740	5.7562	5.4543	4.4876	4.0932	4.8081	4.5855	3.5575	3.5575	4.5855	5.4543	5.4543	6.1018	5.7562	6.0317	6.6230	6.4697	6.6230	6.9255	6.6230	6.4697	5.7562	5.4543	6.0317	6.6230	6.9135	7.0631	6.9135	6.6643	6.6643	6.1018	5.7562	4.8081	4.0932	4.4876	3.6752	2.4545	2.8340	2.4545
C6	2.4545	3.5575	3.5575	2.4545	1.3878		1.4462	2.4545	2.8340	4.0932	4.8081	4.5855	5.4543	5.4543	4.5855	4.8081	5.7562	6.1018	6.6643	6.6643	6.1018	5.7562	6.0317	5.4543	4.4876	3.6752	4.0932	3.5575	2.3400	2.3400	3.5575	4.4876	4.4876	5.3723	5.1740	5.7562	6.4697	6.6230	6.9135	7.0631	6.9135	6.6230	6.0317	5.4543	5.7562	6.4697	6.6230	6.9255	6.6230	6.1018	6.1018	5.3723	5.1740	4.0932	3.6752	4.4876	4.0932	2.8340	2.4545	1.4462
C7	3.6752	4.4876	4.0932	2.8340	2.4545	1.4462		1.3878	2.4545	3.5575	4.5855	4.8081	5.7562	6.0317	5.4543	5.7562	6.4697	6.6230	6.9135	6.6643	6.1018	5.4543	5.4543	4.5855	3.5575	2.4545	2.8340	2.4545	1.4462	2.3400	3.5575	4.0932	3.6752	4.4876	4.0932	4.8081	5.7562	6.1018	6.6643	6.9135	7.0631	6.9255	6.6230	6.1018	6.1018	6.6230	6.4697	6.6230	6.0317	5.4543	5.7562	5.1740	5.3723	4.4876	4.4876	5.3723	5.1740	4.0932	3.5575	2.3400
C8	4.0932	4.4876	3.6752	2.4545	2.8340	2.4545	1.3878		1.4462	2.3400	3.5575	4.0932	5.1740	5.7562	5.4543	6.0317	6.6230	6.4697	6.6230	6.1018	5.3723	4.4876	4.4876	3.5575	2.3400	1.4462	2.4545	2.8340	2.4545	3.5575	4.5855	4.8081	4.0932	4.4876	3.6752	4.0932	5.1740	5.3723	6.1018	6.6230	6.9255	7.0631	6.9135	6.6643	6.6643	6.9135	6.6230	6.4697	5.7562	5.4543	6.0317	5.7562	6.1018	5.4543	5.4543	6.1018	5.7562	4.8081	4.5855	3.5575
C9	3.5575	3.5575	2.4545	1.3878	2.4545	2.8340	2.4545	1.4462		1.4462	2.4545	2.8340	4.0932	4.8081	4.5855	5.4543	6.1018	5.7562	6.0317	5.4543	4.4876	3.6752	4.0932	3.5575	2.3400	2.3400	3.5575	4.0932	3.6752	4.4876	5.4543	5.7562	5.1740	5.3723	4.4876	4.4876	5.3723	5.1740	5.7562	6.4697	6.6230	6.9135	6.6643	6.6643	6.9135	7.0631	6.9255	6.6230	6.1018	6.1018	6.6230	6.4697	6.6230	6.0317	5.7562	6.1018	5.4543	4.5855	4.8081	4.0932
C10	4.4876	4.0932	2.8340	2.4545	3.6752	4.0932	3.5575	2.3400	1.4462		1.3878	2.4545	3.5575	4.5855	4.8081	5.7562	6.1018	5.4543	5.4543	4.5855	3.5575	2.4545	2.8340	2.4545	1.4462	2.3400	3.5575	4.4876	4.4876	5.3723	6.1018	6.1018	5.3723	5.1740	4.0932	3.6752	4.4876	4.0932	4.8081	5.7562	6.1018	6.6643	6.6643	6.9135	7.0631	6.9135	6.6230	6.0317	5.4543	5.7562	6.4697	6.6230	6.9255	6.6230	6.4697	6.6230	6.0317	5.4543	5.7562	5.1740
C11	4.4876	3.6752	2.4545	2.8340	4.0932	4.8081	4.5855	3.5575	2.4545	1.3878		1.4462	2.3400	3.5575	4.0932	5.1740	5.3723	4.4876	4.4876	3.5575	2.3400	1.4462	2.4545	2.8340	2.4545	3.5575	4.5855	5.4543	5.4543	6.1018	6.6643	6.6643	6.1018	5.7562	4.8081	4.0932	4.4876	3.6752	4.0932	5.1740	5.3723	6.1018	6.1018	6.6230	6.9255	6.6230	6.4697	5.7562	5.4543	6.0317	6.6230	6.9135	7.0631	6.9135	6.6230	6.4697	5.7562	5.4543	6.0317	5.7562
C12	3.5575	2.4545	1.3878	2.4545	3.5575	4.5855	4.8081	4.0932	2.8340	2.4545	1.4462		1.4462	2.4545	2.8340	4.0932	4.4876	3.6752	4.0932	3.5575	2.3400	2.3400	3.5575	4.0932	3.6752	4.4876	5.4543	6.0317	5.7562	6.1018	6.6643	6.9135	6.6230	6.4697	5.7562	5.1740	5.3723	4.4876	4.4876	5.3723	5.1740	5.7562	5.4543	6.0317	6.6230	6.4697	6.6230	6.1018	6.1018	6.6230	6.9255	7.0631	6.9135	6.6643	6.1018	5.7562	4.8081	4.5855	5.4543	5.4543
C13	4.0932	2.8340	2.4545	3.6752	4.4876	5.4543	5.7562	5.1740	4.0932	3.5575	2.3400	1.4462		1.3878	2.4545	3.5575	3.5575	2.4545	2.8340	2.4545	1.4462	2.3400	3.5575	4.4876	4.4876	5.3723	6.1018	6.6230	6.4697	6.6230	6.9135	7.0631	6.9255	6.6230	6.1018	5.3723	5.1740	4.0932	3.6752	4.4876	4.0932	4.8081	4.5855	5.4543	6.1018	5.7562	6.0317	5.4543	5.7562	6.4697	6.6230	6.9135	6.6643	6.6643	6.1018	5.4543	4.5855	4.8081	5.7562	6.0317
C14	3.6752	2.4545	2.8340	4.0932	4.4876	5.4543	6.0317	5.7562	4.8081	4.5855	3.5575	2.4545	1.3878		1.4462	2.3400	2.3400	1.4462	2.4545	2.8340	2.4545	3.5575	4.5855	5.4543	5.4543	6.1018	6.6643	6.9135	6.6230	6.4697	6.6230	6.9255	7.0631	6.9135	6.6643	6.1018	5.7562	4.8081	4.0932	4.4876	3.6752	4.0932	3.5575	4.4876	5.3723	5.1740	5.7562	5.4543	6.0317	6.6230	6.4697	6.6230	6.1018	6.1018	5.3723	4.4876	3.5575	4.0932	5.1740	5.7562
C15	2.4545	1.3878	2.4545	3.5575	3.5575	4.5855	5.4543	5.4543	4.5855	4.8081	4.0932	2.8340	2.4545	1.4462		1.4462	2.3400	2.3400	3.5575	4.0932	3.6752	4.4876	5.4543	6.0317	5.7562	6.1018	6.6643	6.6643	6.1018	5.7562	6.0317	6.6230	6.9135	7.0631	6.9135	6.6230	6.4697	5.7562	5.1740	5.3723	4.4876	4.4876	3.5575	4.0932	5.1740	5.3723	6.1018	6.1018	6.6230	6.9255	6.6230	6.4697	5.7562	5.4543	4.4876	3.6752	2.4545	2.8340	4.0932	4.8081
C16	2.8340	2.4545	3.6752	4.4876	4.0932	4.8081	5.7562	6.0317	5.4543	5.7562	5.1740	4.0932	3.5575	2.3400	1.4462		1.4462	2.3400	3.5575	4.4876	4.4876	5.3723	6.1018	6.6230	6.4697	6.6230	6.9135	6.6643	6.1018	5.4543	5.4543	6.1018	6.6643	6.9135	7.0631	6.9255	6.6230	6.1018	5.3723	5.1740	4.0932	3.6752	2.4545	2.8340	4.0932	4.4876	5.4543	5.7562	6.4697	6.6230	6.0317	5.7562	4.8081	4.5855	3.5575	2.4545	1.3878	2.4545	3.5575	4.5855
C17	4.0932	3.5575	4.4876	5.3723	5.1740	5.7562	6.4697	6.6230	6.1018	6.1018	5.3723	4.4876	3.5575	2.3400	2.3400	1.4462		1.4462	2.4545	3.6752	4.0932	5.1740	5.7562	6.4697	6.6230	6.9255	7.0631	6.9135	6.6230	6.0317	5.7562	6.1018	6.6643	6.6643	6.9135	6.6230	6.0317	5.4543	4.4876	4.0932	2.8340	2.4545	1.3878	2.4545	3.5575	3.5575	4.5855	4.8081	5.7562	6.1018	5.4543	5.4543	4.5855	4.8081	4.0932	2.8340	2.4545	3.6752	4.4876	5.4543
C18	4.4876	3.5575	4.0932	5.1740	5.3723	6.1018	6.6230	6.4697	5.7562	5.4543	4.4876	3.6752	2.4545	1.4462	2.3400	2.3400	1.4462		1.3878	2.4545	2.8340	4.0932	4.8081	5.7562	6.0317	6.6230	6.9135	7.0631	6.9255	6.6230	6.4697	6.6230	6.9135	6.6643	6.6643	6.1018	5.4543	4.5855	3.5575	3.5575	2.4545	2.8340	2.4545	3.6752	4.4876	4.0932	4.8081	4.5855	5.4543	6.1018	5.7562	6.0317	5.4543	5.7562	5.1740	4.0932	3.5575	4.4876	5.3723	6.1018
C19	5.4543	4.5855	4.8081	5.7562	6.1018	6.6643	6.9135	6.6230	6.0317	5.4543	4.4876	4.0932	2.8340	2.4545	3.5575	3.5575	2.4545	1.3878		1.4462	2.4545	3.6752	4.0932	5.1740	5.7562	6.4697	6.6230	6.9255	7.0631	6.9135	6.6230	6.4697	6.6230	6.1018	6.1018	5.3723	4.4876	3.5575	2.3400	2.3400	1.4462	2.4545	2.8340	4.0932	4.4876	3.6752	4.0932	3.5575	4.4876	5.3723	5.1740	5.7562	5.4543	6.0317	5.7562	4.8081	4.5855	5.4543	6.1018	6.6643
C20	5.7562	4.8081	4.5855	5.4543	6.1018	6.6643	6.6643	6.1018	5.4543	4.5855	3.5575	3.5575	2.4545	2.8340	4.0932	4.4876	3.6752	2.4545	1.4462		1.3878	2.4545	2.8340	4.0932	4.8081	5.7562	6.0317	6.6230	6.9135	7.0631	6.9255	6.6230	6.4697	5.7562	5.4543	4.4876	3.6752	2.4545	1.4462	2.3400	2.3400	3.5575	4.0932	5.1740	5.3723	4.4876	4.4876	3.5575	4.0932	5.1740	5.3723	6.1018	6.1018	6.6230	6.4697	5.7562	5.4543	6.0317	6.6230	6.9135
C21	5.1740	4.0932	3.5575	4.4876	5.3723	6.1018	6.1018	5.3723	4.4876	3.5575	2.3400	2.3400	1.4462	2.4545	3.6752	4.4876	4.0932	2.8340	2.4545	1.3878		1.4462	2.4545	3.6752	4.0932	5.1740	5.7562	6.4697	6.6230	6.9255	7.0631	6.9135	6.6230	6.0317	5.4543	4.4876	4.0932	2.8340	2.4545	3.5575	3.5575	4.5855	4.8081	5.7562	6.1018	5.4543	5.4543	4.5855	4.8081	5.7562	6.1018	6.6643	6.6643	6.9135	6.6230	6.0317	5.4543	5.7562	6.4697	6.6230
C22	5.3723	4.4876	3.5575	4.0932	5.1740	5.7562	5.4543	4.4876	3.6752	2.4545	1.4462	2.3400	2.3400	3.5575	4.4876	5.3723	5.1740	4.0932	3.6752	2.4545	1.4462		1.3878	2.4545	2.8340	4.0932	4.8081	5.7562	6.0317	6.6230	6.9135	6.6643	6.1018	5.4543	4.5855	3.5575	3.5575	2.4545	2.8340	4.0932	4.4876	5.4543	5.7562	6.4697	6.6230	6.0317	5.7562	4.8081	4.5855	5.4543	6.1018	6.6643	6.9135	7.0631	6.9255	6.6230	6.1018	6.1018	6.6230	6.4697
C23	6.1018	5.4543	4.5855	4.8081	5.7562	6.0317	5.4543	4.4876	4.0932	2.8340	2.4545	3.5575	3.5575	4.5855	5.4543	6.1018	5.7562	4.8081	4.0932	2.8340	2.4545	1.3878		1.4462	2.4545	3.6752	4.0932	5.1740	5.7562	6.4697	6.6230	6.1018	5.3723	4.4876	3.5575	2.3400	2.3400	1.4462	2.4545	3.6752	4.4876	5.4543	6.0317	6.6230	6.4697	5.7562	5.1740	4.0932	3.5575	4.4876	5.3723	6.1018	6.6230	6.9255	7.0631	6.9135	6.6643	6.6643	6.9135	6.6230
C24	6.1018	5.7562	4.8081	4.5855	5.4543	5.4543	4.5855	3.5575	3.5575	2.4545	2.8340	4.0932	4.4876	5.4543	6.0317	6.6230	6.4697	5.7562	5.1740	4.0932	3.6752	2.4545	1.4462		1.3878	2.4545	2.8340	4.0932	4.8081	5.7562	6.0317	5.4543	4.4876	3.6752	2.4545	1.4462	2.3400	2.3400	3.5575	4.4876	5.3723	6.1018	6.6230	6.9255	6.6230	6.1018	5.3723	4.4876	3.5575	4.0932	5.1740	5.7562	6.4697	6.6230	6.9135	7.0631	6.9135	6.6643	6.6643	6.1018
C25	5.3723	5.1740	4.0932	3.5575	4.4876	4.4876	3.5575	2.3400	2.3400	1.4462	2.4545	3.6752	4.4876	5.4543	5.7562	6.4697	6.6230	6.0317	5.7562	4.8081	4.0932	2.8340	2.4545	1.3878		1.4462	2.4545	3.6752	4.0932	5.1740	5.7562	5.4543	4.4876	4.0932	2.8340	2.4545	3.5575	3.5575	4.5855	5.4543	6.1018	6.6643	6.9135	7.0631	6.9135	6.6643	6.1018	5.4543	4.5855	4.8081	5.7562	6.0317	6.6230	6.4697	6.6230	6.9255	6.6230	6.1018	6.1018	5.3723
C26	5.1740	5.3723	4.4876	3.5575	4.0932	3.6752	2.4545	1.4462	2.3400	2.3400	3.5575	4.4876	5.3723	6.1018	6.1018	6.6230	6.9255	6.6230	6.4697	5.7562	5.1740	4.0932	3.6752	2.4545	1.4462		1.3878	2.4545	2.8340	4.0932	4.8081	4.5855	3.5575	3.5575	2.4545	2.8340	4.0932	4.4876	5.4543	6.0317	6.6230	6.9135	7.0631	6.9135	6.6643	6.6643	6.1018	5.7562	4.8081	4.5855	5.4543	5.4543	6.1018	5.7562	6.0317	6.6230	6.4697	5.7562	5.4543	4.4876
C27	5.7562	6.1018	5.4543	4.5855	4.8081	4.0932	2.8340	2.4545	3.5575	3.5575	4.5855	5.4543	6.1018	6.6643	6.6643	6.9135	7.0631	6.9135	6.6230	6.0317	5.7562	4.8081	4.0932	2.8340	2.4545	1.3878		1.4462	2.4545	3.6752	4.0932	3.5575	2.3400	2.3400	1.4462	2.4545	3.6752	4.4876	5.4543	5.7562	6.4697	6.6230	6.9255	6.6230	6.1018	6.1018	5.3723	5.1740	4.0932	3.5575	4.4876	4.4876	5.3723	5.1740	5.7562	6.4697	6.6230	6.0317	5.4543	4.4876
C28	5.4543	6.1018	5.7562	4.8081	4.5855	3.5575	2.4545	2.8340	4.0932	4.4876	5.4543	6.0317	6.6230	6.9135	6.6643	6.6643	6.9135	7.0631	6.9255	6.6230	6.4697	5.7562	5.1740	4.0932	3.6752	2.4545	1.4462		1.3878	2.4545	2.8340	2.4545	1.4462	2.3400	2.3400	3.5575	4.4876	5.3723	6.1018	6.1018	6.6230	6.4697	6.6230	6.0317	5.4543	5.7562	5.1740	5.3723	4.4876	3.5575	4.0932	3.6752	4.4876	4.0932	4.8081	5.7562	6.1018	5.4543	4.5855	3.5575
C29	4.4876	5.3723	5.1740	4.0932	3.5575	2.3400	1.4462	2.4545	3.6752	4.4876	5.4543	5.7562	6.4697	6.6230	6.1018	6.1018	6.6230	6.9255	7.0631	6.9135	6.6230	6.0317	5.7562	4.8081	4.0932	2.8340	2.4545	1.3878		1.4462	2.4545	2.8340	2.4545	3.5575	3.5575	4.5855	5.4543	6.1018	6.6643	6.6643	6.9135	6.6230	6.4697	5.7562	5.4543	6.0317	5.7562	6.1018	5.4543	4.5855	4.8081	4.0932	4.4876	3.6752	4.0932	5.1740	5.3723	4.4876	3.5575	2.3400
C30	4.0932	5.1740	5.3723	4.4876	3.5575	2.3400	2.3400	3.5575	4.4876	5.3723	6.1018	6.1018	6.6230	6.4697	5.7562	5.4543	6.0317	6.6230	6.9135	7.0631	6.9255	6.6230	6.4697	5.7562	5.1740	4.0932	3.6752	2.4545	1.4462		1.3878	2.4545	2.8340	4.0932	4.4876	5.4543	6.0317	6.6230	6.9135	6.6643	6.6643	6.1018	5.7562	4.8081	4.5855	5.4543	5.4543	6.1018	5.7562	4.8081	4.5855	3.5575	3.5575	2.4545	2.8340	4.0932	4.4876	3.6752	2.4545	1.4462
C31	4.8081	5.7562	6.1018	5.4543	4.5855	3.5575	3.5575	4.5855	5.4543	6.1018	6.6643	6.6643	6.9135	6.6230	6.0317	5.4543	5.7562	6.4697	6.6230	6.9255	7.0631	6.9135	6.6230	6.0317	5.7562	4.8081	4.0932	2.8340	2.4545	1.3878		1.4462	2.4545	3.6752	4.4876	5.4543	5.7562	6.4697	6.6230	6.1018	6.1018	5.3723	5.1740	4.0932	3.5575	4.4876	4.4876	5.3723	5.1740	4.0932	3.5575	2.3400	2.3400	1.4462	2.4545	3.6752	4.4876	4.0932	2.8340	2.4545
C32	5.7562	6.4697	6.6230	6.0317	5.4543	4.4876	4.0932	4.8081	5.7562	6.1018	6.6643	6.9135	7.0631	6.9255	6.6230	6.1018	6.1018	6.6230	6.4697	6.6230	6.9135	6.6643	6.1018	5.4543	5.4543	4.5855	3.5575	2.4545	2.8340	2.4545	1.4462		1.3878	2.4545	3.5575	4.5855	4.8081	5.7562	6.0317	5.4543	5.7562	5.1740	5.3723	4.4876	3.5575	4.0932	3.6752	4.4876	4.0932	2.8340	2.4545	1.4462	2.3400	2.3400	3.5575	4.4876	5.3723	5.1740	4.0932	3.6752
C33	6.0317	6.6230	6.4697	5.7562	5.4543	4.4876	3.6752	4.0932	5.1740	5.3723	6.1018	6.6230	6.9255	7.0631	6.9135	6.6643	6.6643	6.9135	6.6230	6.4697	6.6230	6.1018	5.3723	4.4876	4.4876	3.5575	2.3400	1.4462	2.4545	2.8340	2.4545	1.3878		1.4462	2.3400	3.5575	4.0932	5.1740	5.7562	5.4543	6.0317	5.7562	6.1018	5.4543	4.5855	4.8081	4.0932	4.4876	3.6752	2.4545	2.8340	2.4545	3.5575	3.5575	4.5855	5.4543	6.1018	5.7562	4.8081	4.0932
C34	6.6230	6.9255	6.6230	6.1018	6.1018	5.3723	4.4876	4.4876	5.3723	5.1740	5.7562	6.4697	6.6230	6.9135	7.0631	6.9135	6.6643	6.6643	6.1018	5.7562	6.0317	5.4543	4.4876	3.6752	4.0932	3.5575	2.3400	2.3400	3.5575	4.0932	3.6752	2.4545	1.4462		1.4462	2.4545	2.8340	4.0932	4.8081	4.5855	5.4543	5.4543	6.1018	5.7562	4.8081	4.5855	3.5575	3.5575	2.4545	1.3878	2.4545	2.8340	4.0932	4.4876	5.4543	6.0317	6.6230	6.4697	5.7562	5.1740
C35	6.4697	6.6230	6.0317	5.4543	5.7562	5.1740	4.0932	3.6752	4.4876	4.0932	4.8081	5.7562	6.1018	6.6643	6.9135	7.0631	6.9135	6.6643	6.1018	5.4543	5.4543	4.5855	3.5575	2.4545	2.8340	2.4545	1.4462	2.3400	3.5575	4.4876	4.4876	3.5575	2.3400	1.4462		1.3878	2.4545	3.5575	4.5855	4.8081	5.7562	6.0317	6.6230	6.4697	5.7562	5.4543	4.4876	4.0932	2.8340	2.4545	3.6752	4.0932	5.1740	5.3723	6.1018	6.6230	6.9255	6.6230	6.1018	5.3723
C36	6.6230	6.4697	5.7562	5.4543	6.0317	5.7562	4.8081	4.0932	4.4876	3.6752	4.0932	5.1740	5.3723	6.1018	6.6230	6.9255	6.6230	6.1018	5.3723	4.4876	4.4876	3.5575	2.3400	1.4462	2.4545	2.8340	2.4545	3.5575	4.5855	5.4543	5.4543	4.5855	3.5575	2.4545	1.3878		1.4462	2.3400	3.5575	4.0932	5.1740	5.7562	6.4697	6.6230	6.0317	5.4543	4.4876	3.6752	2.4545	2.8340	4.0932	4.8081	5.7562	6.1018	6.6643	6.9135	7.0631	6.9135	6.6643	6.1018
C37	6.9255	6.6230	6.1018	6.1018	6.6230	6.4697	5.7562	5.1740	5.3723	4.4876	4.4876	5.3723	5.1740	5.7562	6.4697	6.6230	6.0317	5.4543	4.4876	3.6752	4.0932	3.5575	2.3400	2.3400	3.5575	4.0932	3.6752	4.4876	5.4543	6.0317	5.7562	4.8081	4.0932	2.8340	2.4545	1.4462		1.4462	2.4545	2.8340	4.0932	4.8081	5.7562	6.1018	5.4543	4.5855	3.5575	2.4545	1.3878	2.4545	3.5575	4.5855	5.4543	6.1018	6.6643	6.6643	6.9135	7.0631	6.9135	6.6230
C38	6.6230	6.0317	5.4543	5.7562	6.4697	6.6230	6.1018	5.3723	5.1740	4.0932	3.6752	4.4876	4.0932	4.8081	5.7562	6.1018	5.4543	4.5855	3.5575	2.4545	2.8340	2.4545	1.4462	2.3400	3.5575	4.4876	4.4876	5.3723	6.1018	6.6230	6.4697	5.7562	5.1740	4.0932	3.5575	2.3400	1.4462		1.3878	2.4545	3.5575	4.5855	5.4543	6.1018	5.7562	4.8081	4.0932	2.8340	2.4545	3.6752	4.4876	5.4543	6.0317	6.6230	6.9135	6.6643	6.6643	6.9135	7.0631	6.9255
C39	6.4697	5.7562	5.4543	6.0317	6.6230	6.9135	6.6643	6.1018	5.7562	4.8081	4.0932	4.4876	3.6752	4.0932	5.1740	5.3723	4.4876	3.5575	2.3400	1.4462	2.4545	2.8340	2.4545	3.5575	4.5855	5.4543	5.4543	6.1018	6.6643	6.9135	6.6230	6.0317	5.7562	4.8081	4.5855	3.5575	2.4545	1.3878		1.4462	2.3400	3.5575	4.4876	5.3723	5.1740	4.0932	3.6752	2.4545	2.8340	4.0932	4.4876	5.4543	5.7562	6.4697	6.6230	6.1018	6.1018	6.6230	6.9255	7.0631
C40	6.6230	6.1018	6.1018	6.6230	6.9255	7.0631	6.9135	6.6230	6.4697	5.7562	5.1740	5.3723	4.4876	4.4876	5.3723	5.1740	4.0932	3.5575	2.3400	2.3400	3.5575	4.0932	3.6752	4.4876	5.4543	6.0317	5.7562	6.1018	6.6643	6.6643	6.1018	5.4543	5.4543	4.5855	4.8081	4.0932	2.8340	2.4545	1.4462		1.4462	2.4545	3.6752	4.4876	4.0932	2.8340	2.4545	1.3878	2.4545	3.5575	3.5575	4.5855	4.8081	5.7562	6.0317	5.4543	5.7562	6.4697	6.6230	6.9135
C41	6.0317	5.4543	5.7562	6.4697	6.6230	6.9135	7.0631	6.9255	6.6230	6.1018	5.3723	5.1740	4.0932	3.6752	4.4876	4.0932	2.8340	2.4545	1.4462	2.3400	3.5575	4.4876	4.4876	5.3723	6.1018	6.6230	6.4697	6.6230	6.9135	6.6643	6.1018	5.7562	6.0317	5.4543	5.7562	5.1740	4.0932	3.5575	2.3400	1.4462		1.3878	2.4545	3.5575	3.5575	2.4545	2.8340	2.4545	3.6752	4.4876	4.0932	4.8081	4.5855	5.4543	5.4543	4.5855	4.8081	5.7562	6.1018	6.6643
C42	5.7562	5.4543	6.0317	6.6230	6.4697	6.6230	6.9255	7.0631	6.9135	6.6643	6.1018	5.7562	4.8081	4.0932	4.4876	3.6752	2.4545	2.8340	2.4545	3.5575	4.5855	5.4543	5.4543	6.1018	6.6643	6.9135	6.6230	6.4697	6.6230	6.1018	5.3723	5.1740	5.7562	5.4543	6.0317	5.7562	4.8081	4.5855	3.5575	2.4545	1.3878		1.4462	2.3400	2.3400	1.4462	2.4545	2.8340	4.0932	4.4876	3.6752	4.0932	3.5575	4.4876	4.4876	3.5575	4.0932	5.1740	5.3723	6.1018
C43	4.8081	4.5855	5.4543	6.1018	5.7562	6.0317	6.6230	6.9135	6.6643	6.6643	6.1018	5.4543	4.5855	3.5575	3.5575	2.4545	1.3878	2.4545	2.8340	4.0932	4.8081	5.7562	6.0317	6.6230	6.9135	7.0631	6.9255	6.6230	6.4697	5.7562	5.1740	5.3723	6.1018	6.1018	6.6230	6.4697	5.7562	5.4543	4.4876	3.6752	2.4545	1.4462		1.4462	2.3400	2.3400	3.5575	4.0932	5.1740	5.3723	4.4876	4.4876	3.5575	4.0932	3.6752	2.4545	2.8340	4.0932	4.4876	5.4543
C44	4.5855	4.8081	5.7562	6.1018	5.4543	5.4543	6.1018	6.6643	6.6643	6.9135	6.6230	6.0317	5.4543	4.4876	4.0932	2.8340	2.4545	3.6752	4.0932	5.1740	5.7562	6.4697	6.6230	6.9255	7.0631	6.9135	6.6230	6.0317	5.7562	4.8081	4.0932	4.4876	5.4543	5.7562	6.4697	6.6230	6.1018	6.1018	5.3723	4.4876	3.5575	2.3400	1.4462		1.4462	2.3400	3.5575	4.4876	5.3723	5.1740	4.0932	3.6752	2.4545	2.8340	2.4545	1.3878	2.4545	3.5575	3.5575	4.5855
C45	5.4543	5.7562	6.4697	6.6230	6.0317	5.7562	6.1018	6.6643	6.9135	7.0631	6.9255	6.6230	6.1018	5.3723	5.1740	4.0932	3.5575	4.4876	4.4876	5.3723	6.1018	6.6230	6.4697	6.6230	6.9135	6.6643	6.1018	5.4543	5.4543	4.5855	3.5575	3.5575	4.5855	4.8081	5.7562	6.0317	5.4543	5.7562	5.1740	4.0932	3.5575	2.3400	2.3400	1.4462		1.4462	2.4545	3.6752	4.4876	4.0932	2.8340	2.4545	1.3878	2.4545	2.8340	2.4545	3.6752	4.4876	4.0932	4.8081
C46	6.1018	6.1018	6.6230	6.9255	6.6230	6.4697	6.6230	6.9135	7.0631	6.9135	6.6230	6.4697	5.7562	5.1740	5.3723	4.4876	3.5575	4.0932	3.6752	4.4876	5.4543	6.0317	5.7562	6.1018	6.6643	6.6643	6.1018	5.7562	6.0317	5.4543	4.4876	4.0932	4.8081	4.5855	5.4543	5.4543	4.5855	4.8081	4.0932	2.8340	2.4545	1.4462	2.3400	2.3400	1.4462		1.3878	2.4545	3.5575	3.5575	2.4545	2.8340	2.4545	3.6752	4.0932	3.5575	4.4876	5.3723	5.1740	5.7562
C47	6.6643	6.6643	6.9135	7.0631	6.9135	6.6230	6.4697	6.6230	6.9255	6.6230	6.4697	6.6230	6.0317	5.7562	6.1018	5.4543	4.5855	4.8081	4.0932	4.4876	5.4543	5.7562	5.1740	5.3723	6.1018	6.1018	5.3723	5.1740	5.7562	5.4543	4.4876	3.6752	4.0932	3.5575	4.4876	4.4876	3.5575	4.0932	3.6752	2.4545	2.8340	2.4545	3.5575	3.5575	2.4545	1.3878		1.4462	2.3400	2.3400	1.4462	2.4545	2.8340	4.0932	4.8081	4.5855	5.4543	6.1018	5.7562	6.0317
C48	6.9135	6.6643	6.6643	6.9135	7.0631	6.9255	6.6230	6.4697	6.6230	6.0317	5.7562	6.1018	5.4543	5.4543	6.1018	5.7562	4.8081	4.5855	3.5575	3.5575	4.5855	4.8081	4.0932	4.4876	5.4543	5.7562	5.1740	5.3723	6.1018	6.1018	5.3723	4.4876	4.4876	3.5575	4.0932	3.6752	2.4545	2.8340	2.4545	1.3878	2.4545	2.8340	4.0932	4.4876	3.6752	2.4545	1.4462		1.4462	2.3400	2.3400	3.5575	4.0932	5.1740	5.7562	5.4543	6.0317	6.6230	6.4697	6.6230
C49	7.0631	6.9135	6.6643	6.6643	6.9135	6.6230	6.0317	5.7562	6.1018	5.4543	5.4543	6.1018	5.7562	6.0317	6.6230	6.4697	5.7562	5.4543	4.4876	4.0932	4.8081	4.5855	3.5575	3.5575	4.5855	4.8081	4.0932	4.4876	5.4543	5.7562	5.1740	4.0932	3.6752	2.4545	2.8340	2.4545	1.3878	2.4545	2.8340	2.4545	3.6752	4.0932	5.1740	5.3723	4.4876	3.5575	2.3400	1.4462		1.4462	2.3400	3.5575	4.4876	5.3723	6.1018	6.1018	6.6230	6.9255	6.6230	6.4697
C50	6.9135	7.0631	6.9135	6.6643	6.6643	6.1018	5.4543	5.4543	6.1018	5.7562	6.0317	6.6230	6.4697	6.6230	6.9255	6.6230	6.1018	6.1018	5.3723	5.1740	5.7562	5.4543	4.4876	4.0932	4.8081	4.5855	3.5575	3.5575	4.5855	4.8081	4.0932	2.8340	2.4545	1.3878	2.4545	2.8340	2.4545	3.6752	4.0932	3.5575	4.4876	4.4876	5.3723	5.1740	4.0932	3.5575	2.3400	2.3400	1.4462		1.4462	2.4545	3.6752	4.4876	5.4543	5.7562	6.4697	6.6230	6.0317	5.7562
C51	6.6643	6.9135	7.0631	6.9135	6.6643	6.1018	5.7562	6.0317	6.6230	6.4697	6.6230	6.9255	6.6230	6.4697	6.6230	6.0317	5.4543	5.7562	5.1740	5.3723	6.1018	6.1018	5.3723	5.1740	5.7562	5.4543	4.4876	4.0932	4.8081	4.5855	3.5575	2.4545	2.8340	2.4545	3.6752	4.0932	3.5575	4.4876	4.4876	3.5575	4.0932	3.6752	4.4876	4.0932	2.8340	2.4545	1.4462	2.3400	2.3400	1.4462		1.3878	2.4545	3.5575	4.5855	4.8081	5.7562	6.1018	5.4543	5.4543
C52	6.1018	6.6230	6.9255	6.6230	6.1018	5.3723	5.1740	5.7562	6.4697	6.6230	6.9135	7.0631	6.9135	6.6230	6.4697	5.7562	5.4543	6.0317	5.7562	6.1018	6.6643	6.6643	6.1018	5.7562	6.0317	5.4543	4.4876	3.6752	4.0932	3.5575	2.3400	1.4462	2.4545	2.8340	4.0932	4.8081	4.5855	5.4543	5.4543	4.5855	4.8081	4.0932	4.4876	3.6752	2.4545	2.8340	2.4545	3.5575	3.5575	2.4545	1.3878		1.4462	2.3400	3.5575	4.0932	5.1740	5.3723	4.4876	4.4876
C53	5.4543	6.0317	6.6230	6.4697	5.7562	5.1740	5.3723	6.1018	6.6230	6.9255	7.0631	6.9135	6.6643	6.1018	5.7562	4.8081	4.5855	5.4543	5.4543	6.1018	6.6643	6.9135	6.6230	6.4697	6.6230	6.1018	5.3723	4.4876	4.4876	3.5575	2.3400	2.3400	3.5575	4.0932	5.1740	5.7562	5.4543	6.0317	5.7562	4.8081	4.5855	3.5575	3.5575	2.4545	1.3878	2.4545	2.8340	4.0932	4.4876	3.6752	2.4545	1.4462		1.4462	2.4545	2.8340	4.0932	4.4876	3.6752	4.0932
C54	4.5855	5.4543	6.1018	5.7562	4.8081	4.0932	4.4876	5.4543	6.0317	6.6230	6.9135	6.6643	6.6643	6.1018	5.4543	4.5855	4.8081	5.7562	6.0317	6.6230	6.9135	7.0631	6.9255	6.6230	6.4697	5.7562	5.1740	4.0932	3.6752	2.4545	1.4462	2.3400	3.5575	4.4876	5.3723	6.1018	6.1018	6.6230	6.4697	5.7562	5.4543	4.4876	4.0932	2.8340	2.4545	3.6752	4.0932	5.1740	5.3723	4.4876	3.5575	2.3400	1.4462		1.3878	2.4545	3.5575	3.5575	2.4545	2.8340
C55	3.5575	4.4876	5.3723	5.1740	4.0932	3.6752	4.4876	5.4543	5.7562	6.4697	6.6230	6.1018	6.1018	5.3723	4.4876	3.5575	4.0932	5.1740	5.7562	6.4697	6.6230	6.9255	7.0631	6.9135	6.6230	6.0317	5.7562	4.8081	4.0932	2.8340	2.4545	3.5575	4.5855	5.4543	6.1018	6.6643	6.6643	6.9135	6.6230	6.0317	5.4543	4.4876	3.6752	2.4545	2.8340	4.0932	4.8081	5.7562	6.1018	5.4543	4.5855	3.5575	2.4545	1.3878		1.4462	2.3400	2.3400	1.4462	2.4545
C56	3.5575	4.0932	5.1740	5.3723	4.4876	4.4876	5.3723	6.1018	6.1018	6.6230	6.4697	5.7562	5.4543	4.4876	3.6752	2.4545	2.8340	4.0932	4.8081	5.7562	6.0317	6.6230	6.9135	7.0631	6.9255	6.6230	6.4697	5.7562	5.1740	4.0932	3.6752	4.4876	5.4543	6.0317	6.6230	6.9135	6.6643	6.6643	6.1018	5.4543	4.5855	3.5575	2.4545	1.3878	2.4545	3.5575	4.5855	5.4543	6.1018	5.7562	4.8081	4.0932	2.8340	2.4545	1.4462		1.4462	2.3400	2.3400	3.5575
C57	2.4545	2.8340	4.0932	4.4876	3.6752	4.0932	5.1740	5.7562	5.4543	6.0317	5.7562	4.8081	4.5855	3.5575	2.4545	1.3878	2.4545	3.5575	4.5855	5.4543	5.4543	6.1018	6.6643	6.9135	6.6230	6.4697	6.6230	6.1018	5.3723	4.4876	4.4876	5.3723	6.1018	6.6230	6.9255	7.0631	6.9135	6.6643	6.1018	5.7562	4.8081	4.0932	2.8340	2.4545	3.6752	4.4876	5.4543	6.0317	6.6230	6.4697	5.7562	5.1740	4.0932	3.5575	2.3400	1.4462		1.4462	2.3400	3.5575
C58	1.3878	2.4545	3.5575	3.5575	2.4545	2.8340	4.0932	4.8081	4.5855	5.4543	5.4543	4.5855	4.8081	4.0932	2.8340	2.4545	3.6752	4.4876	5.4543	6.0317	5.7562	6.1018	6.6643	6.6643	6.1018	5.7562	6.0317	5.4543	4.4876	3.6752	4.0932	5.1740	5.7562	6.4697	6.6230	6.9135	7.0631	6.9135	6.6230	6.4697	5.7562	5.1740	4.0932	3.5575	4.4876	5.3723	6.1018	6.6230	6.9255	6.6230	6.1018	5.3723	4.4876	3.5575	2.3400	2.3400	1.4462		1.4462	2.4545
C59	2.4545	3.6752	4.4876	4.0932	2.8340	2.4545	3.5575	4.5855	4.8081	5.7562	6.0317	5.4543	5.7562	5.1740	4.0932	3.5575	4.4876	5.3723	6.1018	6.6230	6.4697	6.6230	6.9135	6.6643	6.1018	5.4543	5.4543	4.5855	3.5575	2.4545	2.8340	4.0932	4.8081	5.7562	6.1018	6.6643	6.9135	7.0631	6.9255	6.6230	6.1018	5.3723	4.4876	3.5575	4.0932	5.1740	5.7562	6.4697	6.6230	6.0317	5.4543	4.4876	3.6752	2.4545	1.4462	2.3400	2.3400	1.4462		1.3878
C60	2.8340	4.0932	4.4876	3.6752	2.4545	1.4462	2.3400	3.5575	4.0932	5.1740	5.7562	5.4543	6.0317	5.7562	4.8081	4.5855	5.4543	6.1018	6.6643	6.9135	6.6230	6.4697	6.6230	6.1018	5.3723	4.4876	4.4876	3.5575	2.3400	1.4462	2.4545	3.6752	4.0932	5.1740	5.3723	6.1018	6.6230	6.9255	7.0631	6.9135	6.6643	6.1018	5.4543	4.5855	4.8081	5.7562	6.0317	6.6230	6.4697	5.7562	5.4543	4.4876	4.0932	2.8340	2.4545	3.5575	3.5575	2.4545	1.3878

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 B3PW91/TZVP Charges (e)

Number	Element	Mulliken	CHELPG	AIM	ESP
1	C	-0.001
2	C	-0.001
3	C	0.001
4	C	0.001
5	C	-0.001
6	C	0.000
7	C	-0.001
8	C	0.002
9	C	-0.000
10	C	-0.000
11	C	-0.000
12	C	-0.000
13	C	0.002
14	C	-0.001
15	C	0.000
16	C	0.002
17	C	-0.001
18	C	-0.000
19	C	-0.000
20	C	-0.001
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	-0.001
28	C	-0.000
29	C	-0.000
30	C	-0.001
31	C	-0.000
32	C	0.002
33	C	-0.001
34	C	0.000
35	C	0.002
36	C	-0.001
37	C	-0.001
38	C	-0.001
39	C	0.002
40	C	0.000
41	C	-0.001
42	C	0.002
43	C	-0.000
44	C	-0.000
45	C	-0.000
46	C	-0.000
47	C	0.001
48	C	-0.001
49	C	-0.001
50	C	-0.001
51	C	0.001
52	C	-0.000
53	C	-0.000
54	C	-0.000
55	C	0.000
56	C	0.000
57	C	-0.001
58	C	-0.001
59	C	-0.001
60	C	0.002

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 -331.597 0.000 0.000 y 0.000 -331.596 0.004 z 0.000 0.004 -331.599

Traceless   x y z x 0.000 0.000 0.000 y 0.000 0.002 0.004 z 0.000 0.004 -0.003

Polar 3z2-r2 -0.006 x2-y2 -0.001 xy 0.000 xz 0.000 yz 0.004

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

	x	y	z
x	78.319	0.000	0.000
y	0.000	78.323	0.002
z	0.000	0.002	78.321

<r²> (average value of r²) Ų

<r2>	4697.023
(<r2>)1/2	68.535