All results from a given calculation for C₆₀ (Buckminsterfullerene)

Energy calculated at B3LYPultrafine/TZVP

	hartrees
Energy at 0K	-2286.769630
Energy at 298.15K	-2286.768809
HF Energy	-2286.769630
Nuclear repulsion energy	8351.256815

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 B3LYPultrafine/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	1608	1549	0.00
2	?a	1608	1549	0.00
3	?a	1608	1549	0.00
4	?a	1608	1549	0.00
4	?a	1608	1549	0.00
4	?a	1527	1471	0.00
5	?a	1527	1471	0.00
5	?a	1527	1471	0.00
5	?a	1527	1471	0.00
6	?a	1490	1435	0.00
6	?a	1439	1387	0.00
6	?a	1439	1387	0.00
7	?a	1439	1387	0.00
7	?a	1439	1387	0.00
7	?a	1439	1387	0.00
8	?a	1358	1308	0.00
8	?a	1358	1308	0.00
8	?a	1358	1308	0.00
9	?a	1330	1282	0.00
9	?a	1330	1282	0.00
9	?a	1330	1282	0.00
10	?a	1330	1282	0.00
10	?a	1294	1247	0.00
10	?a	1294	1247	0.00
11	?a	1294	1247	0.00
11	?a	1262	1216	0.00
11	?a	1262	1215	0.00
12	?a	1262	1215	0.00
12	?a	1262	1215	0.00
12	?a	1261	1215	0.00
13	?a	1125	1084	0.00
13	?a	1125	1084	0.00
13	?a	1125	1084	0.00
14	?a	1125	1084	0.00
14	?a	1125	1084	0.00
14	?a	1083	1044	0.00
15	?a	1083	1044	0.00
15	?a	1083	1044	0.00
15	?a	1083	1044	0.00
16	?a	839	808	0.00
16	?a	839	808	0.00
16	?a	839	808	0.00
17	?a	813	783	0.00
17	?a	812	783	0.00
17	?a	812	783	0.00
18	?a	788	759	0.00
18	?a	788	759	0.00
81	?a	788	759	0.00
19	?a	788	759	0.00
19	?a	788	759	0.00
19	?a	782	754	0.00
20	?a	782	754	0.00
20	?a	782	753	0.00
20	?a	782	753	0.00
20	?a	755	728	0.00
21	?a	755	727	0.00
21	?a	754	727	0.00
21	?a	734	708	0.00
21	?a	734	707	0.00
22	?a	734	707	0.00
22	?a	734	707	0.00
22	?a	733	706	0.00
22	?a	586	565	0.00
23	?a	586	564	0.00
23	?a	585	564	0.00
23	?a	582	560	0.00
23	?a	582	560	0.00
24	?a	582	560	0.00
24	?a	581	560	0.00
24	?a	570	549	0.00
24	?a	570	549	0.00
25	?a	570	549	0.00
25	?a	497	479	0.00
25	?a	495	477	0.00
25	?a	495	477	0.00
26	?a	494	476	0.00
26	?a	494	476	0.00
26	?a	444	427	0.00
26	?a	444	427	0.00
27	?a	443	427	0.00
27	?a	443	427	0.00
27	?a	442	426	0.00
27	?a	268	258	0.00
28	?a	268	258	0.00
28	?a	268	258	0.00
28	?a	268	258	0.00
28	?a	267	258	0.00
29	?b	981	945	0.00
29	?b	981	945	0.00
29	?b	981	945	0.00
29	?b	981	945	0.00
30	?b	975	939	0.00
30	?b	975	939	0.00
30	?b	975	939	0.00
30	?b	944	910	0.00
31	?b	781	753	0.00
31	?b	781	752	0.00
31	?b	780	752	0.00
31	?b	780	752	0.00
32	?b	768	739	0.00
32	?b	767	739	0.00
32	?b	767	739	0.00
32	?b	767	739	0.00
32	?b	760	732	0.00
33	?b	760	732	0.00
33	?b	760	732	0.00
33	?b	759	731	0.00
33	?b	759	731	0.00
33	?b	741	714	0.00
34	?b	741	713	0.00
34	?b	740	713	0.00
34	?b	684	659	0.00
34	?b	684	659	0.00
34	?b	684	659	0.00
35	?b	684	659	0.00
35	?b	683	658	0.00
35	?b	589	567	15.16
35	?b	589	567	15.15
35	?b	589	567	14.94
36	?b	550	530	28.05
36	?b	550	529	28.40
36	?b	549	529	25.54
36	?b	548	528	4.02
36	?b	548	528	0.01
37	?b	548	528	2.66
37	?b	547	527	0.03
37	?b	547	527	0.44
37	?b	411	396	0.00
37	?b	411	396	0.00
38	?b	411	396	0.00
38	?b	411	396	0.00
38	?b	411	396	0.00
38	?b	361	348	0.00
38	?b	361	348	0.00
39	?b	360	347	0.00
39	?b	360	347	0.00
39	?b	348	335	0.00
39	?b	347	335	0.00
39	?b	347	335	0.00
40	?c	1598	1539	0.00
40	?c	1598	1539	0.00
40	?c	1598	1539	0.00
40	?c	1598	1539	0.00
40	?c	1598	1539	0.00
41	?c	1559	1502	0.00
41	?c	1559	1502	0.00
41	?c	1559	1502	0.00
41	?c	1448	1395	0.00
41	?c	1448	1395	0.00
42	?c	1448	1395	0.00
42	?c	1448	1395	0.00
42	?c	1445	1392	16.32
42	?c	1445	1392	16.30
42	?c	1445	1392	16.31
43	?c	1361	1311	0.00
43	?c	1361	1311	0.00
43	?c	1361	1311	0.00
43	?c	1361	1311	0.00
43	?c	1361	1311	0.00
44	?c	1321	1273	0.00
44	?c	1321	1272	0.00
44	?c	1321	1272	0.00
44	?c	1321	1272	0.00
44	?c	1239	1194	0.00
45	?c	1239	1193	0.00
45	?c	1239	1193	0.00
45	?c	1239	1193	0.00
45	?c	1238	1193	0.00
45	?c	1207	1162	8.91
46	?c	1207	1162	8.91
46	?c	1207	1162	8.93
46	?c	1190	1146	0.00
46	?c	1190	1146	0.00
46	?c	1190	1146	0.00

Unscaled Zero Point Vibrational Energy (zpe) 82263.8 cm^-1
Scaled (by 0.9634) Zero Point Vibrational Energy (zpe) 79253.0 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 B3LYPultrafine/TZVP

A	B	C
0.00280	0.00280	0.00280

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

Geometric Data calculated at B3LYPultrafine/TZVP

Point Group is I_h

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.234	3.318
C2	-1.173	0.381	3.318
C3	-0.725	-0.998	3.318
C4	0.725	-0.998	3.318
C5	1.173	0.381	3.318
C6	2.298	0.747	2.587
C7	3.023	-0.251	1.825
C8	2.593	-1.573	1.825
C9	1.420	-1.954	2.587
C10	0.695	-2.952	1.825
C11	-0.695	-2.952	1.825
C12	-1.420	-1.954	2.587
C13	-2.593	-1.573	1.825
C14	-3.023	-0.251	1.825
C15	-2.298	0.747	2.587
C16	-2.298	1.980	1.825
C17	-3.023	1.744	0.591
C18	-3.471	0.365	0.591
C19	-3.471	-0.365	-0.591
C20	-3.023	-1.744	-0.591
C21	-2.593	-2.336	0.591
C22	-1.420	-3.188	0.591
C23	-0.725	-3.414	-0.591
C24	0.725	-3.414	-0.591
C25	1.420	-3.188	0.591
C26	2.593	-2.336	0.591
C27	3.023	-1.744	-0.591
C28	3.471	-0.365	-0.591
C29	3.471	0.365	0.591
C30	3.023	1.744	0.591
C31	2.593	2.336	-0.591
C32	2.593	1.573	-1.825
C33	3.023	0.251	-1.825
C34	2.298	-0.747	-2.587
C35	2.298	-1.980	-1.825
C36	1.173	-2.797	-1.825
C37	0.000	-2.416	-2.587
C38	-1.173	-2.797	-1.825
C39	-2.298	-1.980	-1.825
C40	-2.298	-0.747	-2.587
C41	-3.023	0.251	-1.825
C42	-2.593	1.573	-1.825
C43	-2.593	2.336	-0.591
C44	-1.420	3.188	-0.591
C45	-0.695	2.952	-1.825
C46	-1.420	1.954	-2.587
C47	-0.725	0.998	-3.318
C48	-1.173	-0.381	-3.318
C49	0.000	-1.234	-3.318
C50	1.173	-0.381	-3.318
C51	0.725	0.998	-3.318
C52	1.420	1.954	-2.587
C53	0.695	2.952	-1.825
C54	1.420	3.188	-0.591
C55	0.725	3.414	0.591
C56	-0.725	3.414	0.591
C57	-1.173	2.797	1.825
C58	0.000	2.416	2.587
C59	1.173	2.797	1.825
C60	2.298	1.980	1.825

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		1.4501	2.3463	2.3463	1.4501	2.4596	3.6838	4.1025	3.5655	4.4981	4.4981	3.5655	4.1025	3.6838	2.4596	2.8399	4.1025	4.4981	5.4663	5.7691	5.1862	5.3851	6.1156	6.1156	5.3851	5.1862	5.7691	5.4663	4.4981	4.1025	4.8184	5.7691	6.0451	6.6381	6.4845	6.6381	6.9413	6.6381	6.4845	6.6381	6.0451	5.7691	4.8184	4.5950	5.4663	6.1156	6.6789	6.9290	7.0791	6.9290	6.6789	6.1156	5.4663	4.5950	3.5655	3.5655	2.4596	1.3898	2.4596	2.8399
C2	1.4501		1.4501	2.3463	2.3463	3.5655	4.4981	4.4981	3.5655	4.1025	3.6838	2.4596	2.8399	2.4596	1.3898	2.4596	3.5655	3.5655	4.5950	4.8184	4.1025	4.4981	5.4663	5.7691	5.1862	5.3851	6.1156	6.1156	5.3851	5.1862	5.7691	6.4845	6.6381	6.9413	6.6381	6.4845	6.6381	6.0451	5.7691	6.1156	5.4663	5.4663	4.5950	4.8184	5.7691	6.1156	6.6789	6.6789	6.9290	7.0791	6.9290	6.6381	6.0451	5.4663	4.4981	4.1025	2.8399	2.4596	3.6837	4.1025
C3	2.3463	1.4501		1.4501	2.3463	3.5655	4.1025	3.6838	2.4596	2.8399	2.4596	1.3898	2.4596	2.8399	2.4596	3.6837	4.4981	4.1025	4.8184	4.5950	3.5655	3.5655	4.5950	4.8184	4.1025	4.4981	5.4663	5.7691	5.1862	5.3851	6.1156	6.6381	6.4845	6.6381	6.0451	5.7691	6.1156	5.4663	5.4663	6.1156	5.7691	6.0451	5.4663	5.7691	6.4845	6.6381	6.9290	6.6789	6.6789	6.9290	7.0791	6.9413	6.6381	6.1156	5.3851	5.1862	4.1025	3.5655	4.4981	4.4981
C4	2.3463	2.3463	1.4501		1.4501	2.4596	2.8399	2.4596	1.3898	2.4596	2.8399	2.4596	3.6838	4.1025	3.5655	4.4981	5.3851	5.1862	5.7691	5.4663	4.4981	4.1025	4.8184	4.5950	3.5655	3.5655	4.5950	4.8184	4.1025	4.4981	5.4663	6.0451	5.7691	6.1156	5.4663	5.4663	6.1156	5.7691	6.0451	6.6381	6.4845	6.6381	6.1156	6.1156	6.6381	6.9413	7.0791	6.9290	6.6789	6.6789	6.9290	6.6381	6.4845	5.7691	5.1862	5.3851	4.4981	3.5655	4.1025	3.6837
C5	1.4501	2.3463	2.3463	1.4501		1.3898	2.4596	2.8399	2.4596	3.6838	4.1025	3.5655	4.4981	4.4981	3.5655	4.1025	5.1862	5.3851	6.1156	6.1156	5.3851	5.1862	5.7691	5.4663	4.4981	4.1025	4.8184	4.5950	3.5655	3.5655	4.5950	5.4663	5.4663	6.1156	5.7691	6.0451	6.6381	6.4845	6.6381	6.9413	6.6381	6.4845	5.7691	5.4663	6.0451	6.6381	6.9290	7.0791	6.9290	6.6789	6.6789	6.1156	5.7691	4.8184	4.1025	4.4981	3.6837	2.4596	2.8399	2.4596
C6	2.4596	3.5655	3.5655	2.4596	1.3898		1.4501	2.4596	2.8399	4.1025	4.8184	4.5950	5.4663	5.4663	4.5950	4.8184	5.7691	6.1156	6.6789	6.6789	6.1156	5.7691	6.0451	5.4663	4.4981	3.6837	4.1025	3.5655	2.3463	2.3463	3.5655	4.4981	4.4981	5.3851	5.1862	5.7691	6.4845	6.6381	6.9290	7.0791	6.9290	6.6381	6.0451	5.4663	5.7691	6.4845	6.6381	6.9413	6.6381	6.1156	6.1156	5.3851	5.1862	4.1025	3.6837	4.4981	4.1025	2.8399	2.4596	1.4501
C7	3.6838	4.4981	4.1025	2.8399	2.4596	1.4501		1.3898	2.4596	3.5655	4.5950	4.8184	5.7691	6.0451	5.4663	5.7691	6.4845	6.6381	6.9290	6.6789	6.1156	5.4663	5.4663	4.5950	3.5655	2.4596	2.8399	2.4596	1.4501	2.3463	3.5655	4.1025	3.6837	4.4981	4.1025	4.8184	5.7691	6.1156	6.6789	6.9290	7.0791	6.9413	6.6381	6.1156	6.1156	6.6381	6.4845	6.6381	6.0451	5.4663	5.7691	5.1862	5.3851	4.4981	4.4981	5.3851	5.1862	4.1025	3.5655	2.3463
C8	4.1025	4.4981	3.6838	2.4596	2.8399	2.4596	1.3898		1.4501	2.3463	3.5655	4.1025	5.1862	5.7691	5.4663	6.0451	6.6381	6.4845	6.6381	6.1156	5.3851	4.4981	4.4981	3.5655	2.3463	1.4501	2.4596	2.8399	2.4596	3.5655	4.5950	4.8184	4.1025	4.4981	3.6837	4.1025	5.1862	5.3851	6.1156	6.6381	6.9413	7.0791	6.9290	6.6789	6.6789	6.9290	6.6381	6.4845	5.7691	5.4663	6.0451	5.7691	6.1156	5.4663	5.4663	6.1156	5.7691	4.8184	4.5950	3.5655
C9	3.5655	3.5655	2.4596	1.3898	2.4596	2.8399	2.4596	1.4501		1.4501	2.4596	2.8399	4.1025	4.8184	4.5950	5.4663	6.1156	5.7691	6.0451	5.4663	4.4981	3.6837	4.1025	3.5655	2.3463	2.3463	3.5655	4.1025	3.6838	4.4981	5.4663	5.7691	5.1862	5.3851	4.4981	4.4981	5.3851	5.1862	5.7691	6.4845	6.6381	6.9290	6.6789	6.6789	6.9290	7.0791	6.9413	6.6381	6.1156	6.1156	6.6381	6.4845	6.6381	6.0451	5.7691	6.1156	5.4663	4.5950	4.8184	4.1025
C10	4.4981	4.1025	2.8399	2.4596	3.6838	4.1025	3.5655	2.3463	1.4501		1.3898	2.4596	3.5655	4.5950	4.8184	5.7691	6.1156	5.4663	5.4663	4.5950	3.5655	2.4596	2.8399	2.4596	1.4501	2.3463	3.5655	4.4981	4.4981	5.3851	6.1156	6.1156	5.3851	5.1862	4.1025	3.6837	4.4981	4.1025	4.8184	5.7691	6.1156	6.6789	6.6789	6.9290	7.0791	6.9290	6.6381	6.0451	5.4663	5.7691	6.4845	6.6381	6.9413	6.6381	6.4845	6.6381	6.0451	5.4663	5.7691	5.1862
C11	4.4981	3.6838	2.4596	2.8399	4.1025	4.8184	4.5950	3.5655	2.4596	1.3898		1.4501	2.3463	3.5655	4.1025	5.1862	5.3851	4.4981	4.4981	3.5655	2.3463	1.4501	2.4596	2.8399	2.4596	3.5655	4.5950	5.4663	5.4663	6.1156	6.6789	6.6789	6.1156	5.7691	4.8184	4.1025	4.4981	3.6837	4.1025	5.1862	5.3851	6.1156	6.1156	6.6381	6.9413	6.6381	6.4845	5.7691	5.4663	6.0451	6.6381	6.9290	7.0791	6.9290	6.6381	6.4845	5.7691	5.4663	6.0451	5.7691
C12	3.5655	2.4596	1.3898	2.4596	3.5655	4.5950	4.8184	4.1025	2.8399	2.4596	1.4501		1.4501	2.4596	2.8399	4.1025	4.4981	3.6838	4.1025	3.5655	2.3463	2.3463	3.5655	4.1025	3.6837	4.4981	5.4663	6.0451	5.7691	6.1156	6.6789	6.9290	6.6381	6.4845	5.7691	5.1862	5.3851	4.4981	4.4981	5.3851	5.1862	5.7691	5.4663	6.0451	6.6381	6.4845	6.6381	6.1156	6.1156	6.6381	6.9413	7.0791	6.9290	6.6789	6.1156	5.7691	4.8184	4.5950	5.4663	5.4663
C13	4.1025	2.8399	2.4596	3.6838	4.4981	5.4663	5.7691	5.1862	4.1025	3.5655	2.3463	1.4501		1.3898	2.4596	3.5655	3.5655	2.4596	2.8399	2.4596	1.4501	2.3463	3.5655	4.4981	4.4981	5.3851	6.1156	6.6381	6.4845	6.6381	6.9290	7.0791	6.9413	6.6381	6.1156	5.3851	5.1862	4.1025	3.6837	4.4981	4.1025	4.8184	4.5950	5.4663	6.1156	5.7691	6.0451	5.4663	5.7691	6.4845	6.6381	6.9290	6.6789	6.6789	6.1156	5.4663	4.5950	4.8184	5.7691	6.0451
C14	3.6838	2.4596	2.8399	4.1025	4.4981	5.4663	6.0451	5.7691	4.8184	4.5950	3.5655	2.4596	1.3898		1.4501	2.3463	2.3463	1.4501	2.4596	2.8399	2.4596	3.5655	4.5950	5.4663	5.4663	6.1156	6.6789	6.9290	6.6381	6.4845	6.6381	6.9413	7.0791	6.9290	6.6789	6.1156	5.7691	4.8184	4.1025	4.4981	3.6837	4.1025	3.5655	4.4981	5.3851	5.1862	5.7691	5.4663	6.0451	6.6381	6.4845	6.6381	6.1156	6.1156	5.3851	4.4981	3.5655	4.1025	5.1862	5.7691
C15	2.4596	1.3898	2.4596	3.5655	3.5655	4.5950	5.4663	5.4663	4.5950	4.8184	4.1025	2.8399	2.4596	1.4501		1.4501	2.3463	2.3463	3.5655	4.1025	3.6837	4.4981	5.4663	6.0451	5.7691	6.1156	6.6789	6.6789	6.1156	5.7691	6.0451	6.6381	6.9290	7.0791	6.9290	6.6381	6.4845	5.7691	5.1862	5.3851	4.4981	4.4981	3.5655	4.1025	5.1862	5.3851	6.1156	6.1156	6.6381	6.9413	6.6381	6.4845	5.7691	5.4663	4.4981	3.6837	2.4596	2.8399	4.1025	4.8184
C16	2.8399	2.4596	3.6837	4.4981	4.1025	4.8184	5.7691	6.0451	5.4663	5.7691	5.1862	4.1025	3.5655	2.3463	1.4501		1.4501	2.3463	3.5655	4.4981	4.4981	5.3851	6.1156	6.6381	6.4845	6.6381	6.9290	6.6789	6.1156	5.4663	5.4663	6.1156	6.6789	6.9290	7.0791	6.9413	6.6381	6.1156	5.3851	5.1862	4.1025	3.6837	2.4596	2.8399	4.1025	4.4981	5.4663	5.7691	6.4845	6.6381	6.0451	5.7691	4.8184	4.5950	3.5655	2.4596	1.3898	2.4596	3.5655	4.5950
C17	4.1025	3.5655	4.4981	5.3851	5.1862	5.7691	6.4845	6.6381	6.1156	6.1156	5.3851	4.4981	3.5655	2.3463	2.3463	1.4501		1.4501	2.4596	3.6837	4.1025	5.1862	5.7691	6.4845	6.6381	6.9413	7.0791	6.9290	6.6381	6.0451	5.7691	6.1156	6.6789	6.6789	6.9290	6.6381	6.0451	5.4663	4.4981	4.1025	2.8399	2.4596	1.3898	2.4596	3.5655	3.5655	4.5950	4.8184	5.7691	6.1156	5.4663	5.4663	4.5950	4.8184	4.1025	2.8399	2.4596	3.6838	4.4981	5.4663
C18	4.4981	3.5655	4.1025	5.1862	5.3851	6.1156	6.6381	6.4845	5.7691	5.4663	4.4981	3.6838	2.4596	1.4501	2.3463	2.3463	1.4501		1.3898	2.4596	2.8399	4.1025	4.8184	5.7691	6.0451	6.6381	6.9290	7.0791	6.9413	6.6381	6.4845	6.6381	6.9290	6.6789	6.6789	6.1156	5.4663	4.5950	3.5655	3.5655	2.4596	2.8399	2.4596	3.6837	4.4981	4.1025	4.8184	4.5950	5.4663	6.1156	5.7691	6.0451	5.4663	5.7691	5.1862	4.1025	3.5655	4.4981	5.3851	6.1156
C19	5.4663	4.5950	4.8184	5.7691	6.1156	6.6789	6.9290	6.6381	6.0451	5.4663	4.4981	4.1025	2.8399	2.4596	3.5655	3.5655	2.4596	1.3898		1.4501	2.4596	3.6837	4.1025	5.1862	5.7691	6.4845	6.6381	6.9413	7.0791	6.9290	6.6381	6.4845	6.6381	6.1156	6.1156	5.3851	4.4981	3.5655	2.3463	2.3463	1.4501	2.4596	2.8399	4.1025	4.4981	3.6838	4.1025	3.5655	4.4981	5.3851	5.1862	5.7691	5.4663	6.0451	5.7691	4.8184	4.5950	5.4663	6.1156	6.6789
C20	5.7691	4.8184	4.5950	5.4663	6.1156	6.6789	6.6789	6.1156	5.4663	4.5950	3.5655	3.5655	2.4596	2.8399	4.1025	4.4981	3.6837	2.4596	1.4501		1.3898	2.4596	2.8399	4.1025	4.8184	5.7691	6.0451	6.6381	6.9290	7.0791	6.9413	6.6381	6.4845	5.7691	5.4663	4.4981	3.6838	2.4596	1.4501	2.3463	2.3463	3.5655	4.1025	5.1862	5.3851	4.4981	4.4981	3.5655	4.1025	5.1862	5.3851	6.1156	6.1156	6.6381	6.4845	5.7691	5.4663	6.0451	6.6381	6.9290
C21	5.1862	4.1025	3.5655	4.4981	5.3851	6.1156	6.1156	5.3851	4.4981	3.5655	2.3463	2.3463	1.4501	2.4596	3.6837	4.4981	4.1025	2.8399	2.4596	1.3898		1.4501	2.4596	3.6837	4.1025	5.1862	5.7691	6.4845	6.6381	6.9413	7.0791	6.9290	6.6381	6.0451	5.4663	4.4981	4.1025	2.8399	2.4596	3.5655	3.5655	4.5950	4.8184	5.7691	6.1156	5.4663	5.4663	4.5950	4.8184	5.7691	6.1156	6.6789	6.6789	6.9290	6.6381	6.0451	5.4663	5.7691	6.4845	6.6381
C22	5.3851	4.4981	3.5655	4.1025	5.1862	5.7691	5.4663	4.4981	3.6837	2.4596	1.4501	2.3463	2.3463	3.5655	4.4981	5.3851	5.1862	4.1025	3.6837	2.4596	1.4501		1.3898	2.4596	2.8399	4.1025	4.8184	5.7691	6.0451	6.6381	6.9290	6.6789	6.1156	5.4663	4.5950	3.5655	3.5655	2.4596	2.8399	4.1025	4.4981	5.4663	5.7691	6.4845	6.6381	6.0451	5.7691	4.8184	4.5950	5.4663	6.1156	6.6789	6.9290	7.0791	6.9413	6.6381	6.1156	6.1156	6.6381	6.4845
C23	6.1156	5.4663	4.5950	4.8184	5.7691	6.0451	5.4663	4.4981	4.1025	2.8399	2.4596	3.5655	3.5655	4.5950	5.4663	6.1156	5.7691	4.8184	4.1025	2.8399	2.4596	1.3898		1.4501	2.4596	3.6837	4.1025	5.1862	5.7691	6.4845	6.6381	6.1156	5.3851	4.4981	3.5655	2.3463	2.3463	1.4501	2.4596	3.6837	4.4981	5.4663	6.0451	6.6381	6.4845	5.7691	5.1862	4.1025	3.5655	4.4981	5.3851	6.1156	6.6381	6.9413	7.0791	6.9290	6.6789	6.6789	6.9290	6.6381
C24	6.1156	5.7691	4.8184	4.5950	5.4663	5.4663	4.5950	3.5655	3.5655	2.4596	2.8399	4.1025	4.4981	5.4663	6.0451	6.6381	6.4845	5.7691	5.1862	4.1025	3.6837	2.4596	1.4501		1.3898	2.4596	2.8399	4.1025	4.8184	5.7691	6.0451	5.4663	4.4981	3.6837	2.4596	1.4501	2.3463	2.3463	3.5655	4.4981	5.3851	6.1156	6.6381	6.9413	6.6381	6.1156	5.3851	4.4981	3.5655	4.1025	5.1862	5.7691	6.4845	6.6381	6.9290	7.0791	6.9290	6.6789	6.6789	6.1156
C25	5.3851	5.1862	4.1025	3.5655	4.4981	4.4981	3.5655	2.3463	2.3463	1.4501	2.4596	3.6837	4.4981	5.4663	5.7691	6.4845	6.6381	6.0451	5.7691	4.8184	4.1025	2.8399	2.4596	1.3898		1.4501	2.4596	3.6837	4.1025	5.1862	5.7691	5.4663	4.4981	4.1025	2.8399	2.4596	3.5655	3.5655	4.5950	5.4663	6.1156	6.6789	6.9290	7.0791	6.9290	6.6789	6.1156	5.4663	4.5950	4.8184	5.7691	6.0451	6.6381	6.4845	6.6381	6.9413	6.6381	6.1156	6.1156	5.3851
C26	5.1862	5.3851	4.4981	3.5655	4.1025	3.6837	2.4596	1.4501	2.3463	2.3463	3.5655	4.4981	5.3851	6.1156	6.1156	6.6381	6.9413	6.6381	6.4845	5.7691	5.1862	4.1025	3.6837	2.4596	1.4501		1.3898	2.4596	2.8399	4.1025	4.8184	4.5950	3.5655	3.5655	2.4596	2.8399	4.1025	4.4981	5.4663	6.0451	6.6381	6.9290	7.0791	6.9290	6.6789	6.6789	6.1156	5.7691	4.8184	4.5950	5.4663	5.4663	6.1156	5.7691	6.0451	6.6381	6.4845	5.7691	5.4663	4.4981
C27	5.7691	6.1156	5.4663	4.5950	4.8184	4.1025	2.8399	2.4596	3.5655	3.5655	4.5950	5.4663	6.1156	6.6789	6.6789	6.9290	7.0791	6.9290	6.6381	6.0451	5.7691	4.8184	4.1025	2.8399	2.4596	1.3898		1.4501	2.4596	3.6837	4.1025	3.5655	2.3463	2.3463	1.4501	2.4596	3.6838	4.4981	5.4663	5.7691	6.4845	6.6381	6.9413	6.6381	6.1156	6.1156	5.3851	5.1862	4.1025	3.5655	4.4981	4.4981	5.3851	5.1862	5.7691	6.4845	6.6381	6.0451	5.4663	4.4981
C28	5.4663	6.1156	5.7691	4.8184	4.5950	3.5655	2.4596	2.8399	4.1025	4.4981	5.4663	6.0451	6.6381	6.9290	6.6789	6.6789	6.9290	7.0791	6.9413	6.6381	6.4845	5.7691	5.1862	4.1025	3.6837	2.4596	1.4501		1.3898	2.4596	2.8399	2.4596	1.4501	2.3463	2.3463	3.5655	4.4981	5.3851	6.1156	6.1156	6.6381	6.4845	6.6381	6.0451	5.4663	5.7691	5.1862	5.3851	4.4981	3.5655	4.1025	3.6838	4.4981	4.1025	4.8184	5.7691	6.1156	5.4663	4.5950	3.5655
C29	4.4981	5.3851	5.1862	4.1025	3.5655	2.3463	1.4501	2.4596	3.6838	4.4981	5.4663	5.7691	6.4845	6.6381	6.1156	6.1156	6.6381	6.9413	7.0791	6.9290	6.6381	6.0451	5.7691	4.8184	4.1025	2.8399	2.4596	1.3898		1.4501	2.4596	2.8399	2.4596	3.5655	3.5655	4.5950	5.4663	6.1156	6.6789	6.6789	6.9290	6.6381	6.4845	5.7691	5.4663	6.0451	5.7691	6.1156	5.4663	4.5950	4.8184	4.1025	4.4981	3.6837	4.1025	5.1862	5.3851	4.4981	3.5655	2.3463
C30	4.1025	5.1862	5.3851	4.4981	3.5655	2.3463	2.3463	3.5655	4.4981	5.3851	6.1156	6.1156	6.6381	6.4845	5.7691	5.4663	6.0451	6.6381	6.9290	7.0791	6.9413	6.6381	6.4845	5.7691	5.1862	4.1025	3.6837	2.4596	1.4501		1.3898	2.4596	2.8399	4.1025	4.4981	5.4663	6.0451	6.6381	6.9290	6.6789	6.6789	6.1156	5.7691	4.8184	4.5950	5.4663	5.4663	6.1156	5.7691	4.8184	4.5950	3.5655	3.5655	2.4596	2.8399	4.1025	4.4981	3.6838	2.4596	1.4501
C31	4.8184	5.7691	6.1156	5.4663	4.5950	3.5655	3.5655	4.5950	5.4663	6.1156	6.6789	6.6789	6.9290	6.6381	6.0451	5.4663	5.7691	6.4845	6.6381	6.9413	7.0791	6.9290	6.6381	6.0451	5.7691	4.8184	4.1025	2.8399	2.4596	1.3898		1.4501	2.4596	3.6837	4.4981	5.4663	5.7691	6.4845	6.6381	6.1156	6.1156	5.3851	5.1862	4.1025	3.5655	4.4981	4.4981	5.3851	5.1862	4.1025	3.5655	2.3463	2.3463	1.4501	2.4596	3.6837	4.4981	4.1025	2.8399	2.4596
C32	5.7691	6.4845	6.6381	6.0451	5.4663	4.4981	4.1025	4.8184	5.7691	6.1156	6.6789	6.9290	7.0791	6.9413	6.6381	6.1156	6.1156	6.6381	6.4845	6.6381	6.9290	6.6789	6.1156	5.4663	5.4663	4.5950	3.5655	2.4596	2.8399	2.4596	1.4501		1.3898	2.4596	3.5655	4.5950	4.8184	5.7691	6.0451	5.4663	5.7691	5.1862	5.3851	4.4981	3.5655	4.1025	3.6838	4.4981	4.1025	2.8399	2.4596	1.4501	2.3463	2.3463	3.5655	4.4981	5.3851	5.1862	4.1025	3.6837
C33	6.0451	6.6381	6.4845	5.7691	5.4663	4.4981	3.6837	4.1025	5.1862	5.3851	6.1156	6.6381	6.9413	7.0791	6.9290	6.6789	6.6789	6.9290	6.6381	6.4845	6.6381	6.1156	5.3851	4.4981	4.4981	3.5655	2.3463	1.4501	2.4596	2.8399	2.4596	1.3898		1.4501	2.3463	3.5655	4.1025	5.1862	5.7691	5.4663	6.0451	5.7691	6.1156	5.4663	4.5950	4.8184	4.1025	4.4981	3.6838	2.4596	2.8399	2.4596	3.5655	3.5655	4.5950	5.4663	6.1156	5.7691	4.8184	4.1025
C34	6.6381	6.9413	6.6381	6.1156	6.1156	5.3851	4.4981	4.4981	5.3851	5.1862	5.7691	6.4845	6.6381	6.9290	7.0791	6.9290	6.6789	6.6789	6.1156	5.7691	6.0451	5.4663	4.4981	3.6837	4.1025	3.5655	2.3463	2.3463	3.5655	4.1025	3.6837	2.4596	1.4501		1.4501	2.4596	2.8399	4.1025	4.8184	4.5950	5.4663	5.4663	6.1156	5.7691	4.8184	4.5950	3.5655	3.5655	2.4596	1.3898	2.4596	2.8399	4.1025	4.4981	5.4663	6.0451	6.6381	6.4845	5.7691	5.1862
C35	6.4845	6.6381	6.0451	5.4663	5.7691	5.1862	4.1025	3.6837	4.4981	4.1025	4.8184	5.7691	6.1156	6.6789	6.9290	7.0791	6.9290	6.6789	6.1156	5.4663	5.4663	4.5950	3.5655	2.4596	2.8399	2.4596	1.4501	2.3463	3.5655	4.4981	4.4981	3.5655	2.3463	1.4501		1.3898	2.4596	3.5655	4.5950	4.8184	5.7691	6.0451	6.6381	6.4845	5.7691	5.4663	4.4981	4.1025	2.8399	2.4596	3.6837	4.1025	5.1862	5.3851	6.1156	6.6381	6.9413	6.6381	6.1156	5.3851
C36	6.6381	6.4845	5.7691	5.4663	6.0451	5.7691	4.8184	4.1025	4.4981	3.6837	4.1025	5.1862	5.3851	6.1156	6.6381	6.9413	6.6381	6.1156	5.3851	4.4981	4.4981	3.5655	2.3463	1.4501	2.4596	2.8399	2.4596	3.5655	4.5950	5.4663	5.4663	4.5950	3.5655	2.4596	1.3898		1.4501	2.3463	3.5655	4.1025	5.1862	5.7691	6.4845	6.6381	6.0451	5.4663	4.4981	3.6837	2.4596	2.8399	4.1025	4.8184	5.7691	6.1156	6.6789	6.9290	7.0791	6.9290	6.6789	6.1156
C37	6.9413	6.6381	6.1156	6.1156	6.6381	6.4845	5.7691	5.1862	5.3851	4.4981	4.4981	5.3851	5.1862	5.7691	6.4845	6.6381	6.0451	5.4663	4.4981	3.6838	4.1025	3.5655	2.3463	2.3463	3.5655	4.1025	3.6838	4.4981	5.4663	6.0451	5.7691	4.8184	4.1025	2.8399	2.4596	1.4501		1.4501	2.4596	2.8399	4.1025	4.8184	5.7691	6.1156	5.4663	4.5950	3.5655	2.4596	1.3898	2.4596	3.5655	4.5950	5.4663	6.1156	6.6789	6.6789	6.9290	7.0791	6.9290	6.6381
C38	6.6381	6.0451	5.4663	5.7691	6.4845	6.6381	6.1156	5.3851	5.1862	4.1025	3.6837	4.4981	4.1025	4.8184	5.7691	6.1156	5.4663	4.5950	3.5655	2.4596	2.8399	2.4596	1.4501	2.3463	3.5655	4.4981	4.4981	5.3851	6.1156	6.6381	6.4845	5.7691	5.1862	4.1025	3.5655	2.3463	1.4501		1.3898	2.4596	3.5655	4.5950	5.4663	6.1156	5.7691	4.8184	4.1025	2.8399	2.4596	3.6837	4.4981	5.4663	6.0451	6.6381	6.9290	6.6789	6.6789	6.9290	7.0791	6.9413
C39	6.4845	5.7691	5.4663	6.0451	6.6381	6.9290	6.6789	6.1156	5.7691	4.8184	4.1025	4.4981	3.6837	4.1025	5.1862	5.3851	4.4981	3.5655	2.3463	1.4501	2.4596	2.8399	2.4596	3.5655	4.5950	5.4663	5.4663	6.1156	6.6789	6.9290	6.6381	6.0451	5.7691	4.8184	4.5950	3.5655	2.4596	1.3898		1.4501	2.3463	3.5655	4.4981	5.3851	5.1862	4.1025	3.6837	2.4596	2.8399	4.1025	4.4981	5.4663	5.7691	6.4845	6.6381	6.1156	6.1156	6.6381	6.9413	7.0791
C40	6.6381	6.1156	6.1156	6.6381	6.9413	7.0791	6.9290	6.6381	6.4845	5.7691	5.1862	5.3851	4.4981	4.4981	5.3851	5.1862	4.1025	3.5655	2.3463	2.3463	3.5655	4.1025	3.6837	4.4981	5.4663	6.0451	5.7691	6.1156	6.6789	6.6789	6.1156	5.4663	5.4663	4.5950	4.8184	4.1025	2.8399	2.4596	1.4501		1.4501	2.4596	3.6837	4.4981	4.1025	2.8399	2.4596	1.3898	2.4596	3.5655	3.5655	4.5950	4.8184	5.7691	6.0451	5.4663	5.7691	6.4845	6.6381	6.9290
C41	6.0451	5.4663	5.7691	6.4845	6.6381	6.9290	7.0791	6.9413	6.6381	6.1156	5.3851	5.1862	4.1025	3.6837	4.4981	4.1025	2.8399	2.4596	1.4501	2.3463	3.5655	4.4981	4.4981	5.3851	6.1156	6.6381	6.4845	6.6381	6.9290	6.6789	6.1156	5.7691	6.0451	5.4663	5.7691	5.1862	4.1025	3.5655	2.3463	1.4501		1.3898	2.4596	3.5655	3.5655	2.4596	2.8399	2.4596	3.6838	4.4981	4.1025	4.8184	4.5950	5.4663	5.4663	4.5950	4.8184	5.7691	6.1156	6.6789
C42	5.7691	5.4663	6.0451	6.6381	6.4845	6.6381	6.9413	7.0791	6.9290	6.6789	6.1156	5.7691	4.8184	4.1025	4.4981	3.6837	2.4596	2.8399	2.4596	3.5655	4.5950	5.4663	5.4663	6.1156	6.6789	6.9290	6.6381	6.4845	6.6381	6.1156	5.3851	5.1862	5.7691	5.4663	6.0451	5.7691	4.8184	4.5950	3.5655	2.4596	1.3898		1.4501	2.3463	2.3463	1.4501	2.4596	2.8399	4.1025	4.4981	3.6838	4.1025	3.5655	4.4981	4.4981	3.5655	4.1025	5.1862	5.3851	6.1156
C43	4.8184	4.5950	5.4663	6.1156	5.7691	6.0451	6.6381	6.9290	6.6789	6.6789	6.1156	5.4663	4.5950	3.5655	3.5655	2.4596	1.3898	2.4596	2.8399	4.1025	4.8184	5.7691	6.0451	6.6381	6.9290	7.0791	6.9413	6.6381	6.4845	5.7691	5.1862	5.3851	6.1156	6.1156	6.6381	6.4845	5.7691	5.4663	4.4981	3.6837	2.4596	1.4501		1.4501	2.3463	2.3463	3.5655	4.1025	5.1862	5.3851	4.4981	4.4981	3.5655	4.1025	3.6837	2.4596	2.8399	4.1025	4.4981	5.4663
C44	4.5950	4.8184	5.7691	6.1156	5.4663	5.4663	6.1156	6.6789	6.6789	6.9290	6.6381	6.0451	5.4663	4.4981	4.1025	2.8399	2.4596	3.6837	4.1025	5.1862	5.7691	6.4845	6.6381	6.9413	7.0791	6.9290	6.6381	6.0451	5.7691	4.8184	4.1025	4.4981	5.4663	5.7691	6.4845	6.6381	6.1156	6.1156	5.3851	4.4981	3.5655	2.3463	1.4501		1.4501	2.3463	3.5655	4.4981	5.3851	5.1862	4.1025	3.6837	2.4596	2.8399	2.4596	1.3898	2.4596	3.5655	3.5655	4.5950
C45	5.4663	5.7691	6.4845	6.6381	6.0451	5.7691	6.1156	6.6789	6.9290	7.0791	6.9413	6.6381	6.1156	5.3851	5.1862	4.1025	3.5655	4.4981	4.4981	5.3851	6.1156	6.6381	6.4845	6.6381	6.9290	6.6789	6.1156	5.4663	5.4663	4.5950	3.5655	3.5655	4.5950	4.8184	5.7691	6.0451	5.4663	5.7691	5.1862	4.1025	3.5655	2.3463	2.3463	1.4501		1.4501	2.4596	3.6838	4.4981	4.1025	2.8399	2.4596	1.3898	2.4596	2.8399	2.4596	3.6837	4.4981	4.1025	4.8184
C46	6.1156	6.1156	6.6381	6.9413	6.6381	6.4845	6.6381	6.9290	7.0791	6.9290	6.6381	6.4845	5.7691	5.1862	5.3851	4.4981	3.5655	4.1025	3.6838	4.4981	5.4663	6.0451	5.7691	6.1156	6.6789	6.6789	6.1156	5.7691	6.0451	5.4663	4.4981	4.1025	4.8184	4.5950	5.4663	5.4663	4.5950	4.8184	4.1025	2.8399	2.4596	1.4501	2.3463	2.3463	1.4501		1.3898	2.4596	3.5655	3.5655	2.4596	2.8399	2.4596	3.6837	4.1025	3.5655	4.4981	5.3851	5.1862	5.7691
C47	6.6789	6.6789	6.9290	7.0791	6.9290	6.6381	6.4845	6.6381	6.9413	6.6381	6.4845	6.6381	6.0451	5.7691	6.1156	5.4663	4.5950	4.8184	4.1025	4.4981	5.4663	5.7691	5.1862	5.3851	6.1156	6.1156	5.3851	5.1862	5.7691	5.4663	4.4981	3.6838	4.1025	3.5655	4.4981	4.4981	3.5655	4.1025	3.6837	2.4596	2.8399	2.4596	3.5655	3.5655	2.4596	1.3898		1.4501	2.3463	2.3463	1.4501	2.4596	2.8399	4.1025	4.8184	4.5950	5.4663	6.1156	5.7691	6.0451
C48	6.9290	6.6789	6.6789	6.9290	7.0791	6.9413	6.6381	6.4845	6.6381	6.0451	5.7691	6.1156	5.4663	5.4663	6.1156	5.7691	4.8184	4.5950	3.5655	3.5655	4.5950	4.8184	4.1025	4.4981	5.4663	5.7691	5.1862	5.3851	6.1156	6.1156	5.3851	4.4981	4.4981	3.5655	4.1025	3.6837	2.4596	2.8399	2.4596	1.3898	2.4596	2.8399	4.1025	4.4981	3.6838	2.4596	1.4501		1.4501	2.3463	2.3463	3.5655	4.1025	5.1862	5.7691	5.4663	6.0451	6.6381	6.4845	6.6381
C49	7.0791	6.9290	6.6789	6.6789	6.9290	6.6381	6.0451	5.7691	6.1156	5.4663	5.4663	6.1156	5.7691	6.0451	6.6381	6.4845	5.7691	5.4663	4.4981	4.1025	4.8184	4.5950	3.5655	3.5655	4.5950	4.8184	4.1025	4.4981	5.4663	5.7691	5.1862	4.1025	3.6838	2.4596	2.8399	2.4596	1.3898	2.4596	2.8399	2.4596	3.6838	4.1025	5.1862	5.3851	4.4981	3.5655	2.3463	1.4501		1.4501	2.3463	3.5655	4.4981	5.3851	6.1156	6.1156	6.6381	6.9413	6.6381	6.4845
C50	6.9290	7.0791	6.9290	6.6789	6.6789	6.1156	5.4663	5.4663	6.1156	5.7691	6.0451	6.6381	6.4845	6.6381	6.9413	6.6381	6.1156	6.1156	5.3851	5.1862	5.7691	5.4663	4.4981	4.1025	4.8184	4.5950	3.5655	3.5655	4.5950	4.8184	4.1025	2.8399	2.4596	1.3898	2.4596	2.8399	2.4596	3.6837	4.1025	3.5655	4.4981	4.4981	5.3851	5.1862	4.1025	3.5655	2.3463	2.3463	1.4501		1.4501	2.4596	3.6838	4.4981	5.4663	5.7691	6.4845	6.6381	6.0451	5.7691
C51	6.6789	6.9290	7.0791	6.9290	6.6789	6.1156	5.7691	6.0451	6.6381	6.4845	6.6381	6.9413	6.6381	6.4845	6.6381	6.0451	5.4663	5.7691	5.1862	5.3851	6.1156	6.1156	5.3851	5.1862	5.7691	5.4663	4.4981	4.1025	4.8184	4.5950	3.5655	2.4596	2.8399	2.4596	3.6837	4.1025	3.5655	4.4981	4.4981	3.5655	4.1025	3.6838	4.4981	4.1025	2.8399	2.4596	1.4501	2.3463	2.3463	1.4501		1.3898	2.4596	3.5655	4.5950	4.8184	5.7691	6.1156	5.4663	5.4663
C52	6.1156	6.6381	6.9413	6.6381	6.1156	5.3851	5.1862	5.7691	6.4845	6.6381	6.9290	7.0791	6.9290	6.6381	6.4845	5.7691	5.4663	6.0451	5.7691	6.1156	6.6789	6.6789	6.1156	5.7691	6.0451	5.4663	4.4981	3.6838	4.1025	3.5655	2.3463	1.4501	2.4596	2.8399	4.1025	4.8184	4.5950	5.4663	5.4663	4.5950	4.8184	4.1025	4.4981	3.6837	2.4596	2.8399	2.4596	3.5655	3.5655	2.4596	1.3898		1.4501	2.3463	3.5655	4.1025	5.1862	5.3851	4.4981	4.4981
C53	5.4663	6.0451	6.6381	6.4845	5.7691	5.1862	5.3851	6.1156	6.6381	6.9413	7.0791	6.9290	6.6789	6.1156	5.7691	4.8184	4.5950	5.4663	5.4663	6.1156	6.6789	6.9290	6.6381	6.4845	6.6381	6.1156	5.3851	4.4981	4.4981	3.5655	2.3463	2.3463	3.5655	4.1025	5.1862	5.7691	5.4663	6.0451	5.7691	4.8184	4.5950	3.5655	3.5655	2.4596	1.3898	2.4596	2.8399	4.1025	4.4981	3.6838	2.4596	1.4501		1.4501	2.4596	2.8399	4.1025	4.4981	3.6837	4.1025
C54	4.5950	5.4663	6.1156	5.7691	4.8184	4.1025	4.4981	5.4663	6.0451	6.6381	6.9290	6.6789	6.6789	6.1156	5.4663	4.5950	4.8184	5.7691	6.0451	6.6381	6.9290	7.0791	6.9413	6.6381	6.4845	5.7691	5.1862	4.1025	3.6837	2.4596	1.4501	2.3463	3.5655	4.4981	5.3851	6.1156	6.1156	6.6381	6.4845	5.7691	5.4663	4.4981	4.1025	2.8399	2.4596	3.6837	4.1025	5.1862	5.3851	4.4981	3.5655	2.3463	1.4501		1.3898	2.4596	3.5655	3.5655	2.4596	2.8399
C55	3.5655	4.4981	5.3851	5.1862	4.1025	3.6837	4.4981	5.4663	5.7691	6.4845	6.6381	6.1156	6.1156	5.3851	4.4981	3.5655	4.1025	5.1862	5.7691	6.4845	6.6381	6.9413	7.0791	6.9290	6.6381	6.0451	5.7691	4.8184	4.1025	2.8399	2.4596	3.5655	4.5950	5.4663	6.1156	6.6789	6.6789	6.9290	6.6381	6.0451	5.4663	4.4981	3.6837	2.4596	2.8399	4.1025	4.8184	5.7691	6.1156	5.4663	4.5950	3.5655	2.4596	1.3898		1.4501	2.3463	2.3463	1.4501	2.4596
C56	3.5655	4.1025	5.1862	5.3851	4.4981	4.4981	5.3851	6.1156	6.1156	6.6381	6.4845	5.7691	5.4663	4.4981	3.6837	2.4596	2.8399	4.1025	4.8184	5.7691	6.0451	6.6381	6.9290	7.0791	6.9413	6.6381	6.4845	5.7691	5.1862	4.1025	3.6837	4.4981	5.4663	6.0451	6.6381	6.9290	6.6789	6.6789	6.1156	5.4663	4.5950	3.5655	2.4596	1.3898	2.4596	3.5655	4.5950	5.4663	6.1156	5.7691	4.8184	4.1025	2.8399	2.4596	1.4501		1.4501	2.3463	2.3463	3.5655
C57	2.4596	2.8399	4.1025	4.4981	3.6837	4.1025	5.1862	5.7691	5.4663	6.0451	5.7691	4.8184	4.5950	3.5655	2.4596	1.3898	2.4596	3.5655	4.5950	5.4663	5.4663	6.1156	6.6789	6.9290	6.6381	6.4845	6.6381	6.1156	5.3851	4.4981	4.4981	5.3851	6.1156	6.6381	6.9413	7.0791	6.9290	6.6789	6.1156	5.7691	4.8184	4.1025	2.8399	2.4596	3.6837	4.4981	5.4663	6.0451	6.6381	6.4845	5.7691	5.1862	4.1025	3.5655	2.3463	1.4501		1.4501	2.3463	3.5655
C58	1.3898	2.4596	3.5655	3.5655	2.4596	2.8399	4.1025	4.8184	4.5950	5.4663	5.4663	4.5950	4.8184	4.1025	2.8399	2.4596	3.6838	4.4981	5.4663	6.0451	5.7691	6.1156	6.6789	6.6789	6.1156	5.7691	6.0451	5.4663	4.4981	3.6838	4.1025	5.1862	5.7691	6.4845	6.6381	6.9290	7.0791	6.9290	6.6381	6.4845	5.7691	5.1862	4.1025	3.5655	4.4981	5.3851	6.1156	6.6381	6.9413	6.6381	6.1156	5.3851	4.4981	3.5655	2.3463	2.3463	1.4501		1.4501	2.4596
C59	2.4596	3.6837	4.4981	4.1025	2.8399	2.4596	3.5655	4.5950	4.8184	5.7691	6.0451	5.4663	5.7691	5.1862	4.1025	3.5655	4.4981	5.3851	6.1156	6.6381	6.4845	6.6381	6.9290	6.6789	6.1156	5.4663	5.4663	4.5950	3.5655	2.4596	2.8399	4.1025	4.8184	5.7691	6.1156	6.6789	6.9290	7.0791	6.9413	6.6381	6.1156	5.3851	4.4981	3.5655	4.1025	5.1862	5.7691	6.4845	6.6381	6.0451	5.4663	4.4981	3.6837	2.4596	1.4501	2.3463	2.3463	1.4501		1.3898
C60	2.8399	4.1025	4.4981	3.6837	2.4596	1.4501	2.3463	3.5655	4.1025	5.1862	5.7691	5.4663	6.0451	5.7691	4.8184	4.5950	5.4663	6.1156	6.6789	6.9290	6.6381	6.4845	6.6381	6.1156	5.3851	4.4981	4.4981	3.5655	2.3463	1.4501	2.4596	3.6837	4.1025	5.1862	5.3851	6.1156	6.6381	6.9413	7.0791	6.9290	6.6789	6.1156	5.4663	4.5950	4.8184	5.7691	6.0451	6.6381	6.4845	5.7691	5.4663	4.4981	4.1025	2.8399	2.4596	3.5655	3.5655	2.4596	1.3898

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 B3LYPultrafine/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	0.001
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	0.001
16	C	0.001
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	0.001
24	C	0.001
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	0.001
35	C	0.001
36	C	-0.001
37	C	-0.001
38	C	-0.001
39	C	0.001
40	C	0.001
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	0.001
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	0.001
56	C	0.001
57	C	-0.001
58	C	-0.001
59	C	-0.001
60	C	0.001

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 -335.052 0.000 0.000 y 0.000 -335.053 -0.001 z 0.000 -0.001 -335.053

Traceless   x y z x 0.001 0.000 0.000 y 0.000 -0.001 -0.001 z 0.000 -0.001 -0.001

Polar 3z2-r2 -0.002 x2-y2 0.001 xy 0.000 xz 0.000 yz -0.001

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

	x	y	z
x	78.961	0.000	0.000
y	0.000	78.961	0.000
z	0.000	0.000	78.961

<r²> (average value of r²) Ų

<r2>	4719.468
(<r2>)1/2	68.698