All results from a given calculation for C₆₀ (Buckminsterfullerene)

Energy calculated at B2PLYP/6-31G*

	hartrees
Energy at 0K	-2284.020807
Energy at 298.15K
HF Energy	-2281.392717
Nuclear repulsion energy	8328.491937

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 B2PLYP/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	?a	8469i	8039i	8.02
2	?a	8469i	8039i	8.02
3	?a	8469i	8039i	8.02
4	?a	8599i	8162i	0.00
4	?a	8599i	8162i	0.00
4	?a	8599i	8162i	0.00
5	?b	2219	2106	0.00
5	?b	2219	2106	0.00
5	?b	2219	2106	0.00
6	?b	1826	1733	0.00
6	?b	1826	1733	0.00
6	?b	1825	1733	0.00
7	?b	1825	1732	0.00
7	?b	1733	1645	0.00
7	?b	1733	1645	0.00
8	?b	1733	1645	0.00
8	?b	1733	1645	0.00
8	?b	1733	1645	0.00
9	?b	1725	1637	0.00
9	?b	1725	1637	0.00
9	?b	1725	1637	0.00
10	?b	1725	1637	0.00
10	?b	1725	1637	0.00
10	?b	1591	1510	0.00
11	?b	1590	1510	0.00
11	?b	1590	1509	0.00
11	?b	1590	1509	0.00
12	?b	1589	1509	0.00
12	?b	1541	1463	0.00
12	?b	1530	1452	0.00
13	?b	1529	1452	0.00
13	?b	1529	1452	0.00
13	?b	1529	1451	0.00
14	?b	1435	1362	0.00
14	?b	1433	1360	0.00
14	?b	1432	1360	0.00
15	?b	1431	1358	0.00
15	?b	1360	1291	0.00
15	?b	1360	1291	0.00
16	?b	1360	1291	0.00
16	?b	1360	1291	0.00
16	?b	1360	1291	0.00
17	?b	1328	1261	0.00
17	?b	1328	1261	0.00
17	?b	1328	1261	0.00
18	?b	1289	1223	0.00
18	?b	1288	1223	0.00
81	?b	1288	1222	0.00
19	?b	1287	1222	0.00
19	?b	1287	1221	0.00
19	?b	1160	1101	8.66
20	?b	1160	1101	8.66
20	?b	1159	1100	8.66
20	?b	1119	1062	0.00
20	?b	1119	1062	0.00
21	?b	1119	1062	0.00
21	?b	1064	1010	0.00
21	?b	1064	1010	0.00
21	?b	1064	1010	0.00
22	?b	1064	1010	0.00
22	?b	1064	1010	0.00
22	?b	1014	963	0.00
22	?b	953	905	0.00
23	?b	953	905	0.00
23	?b	953	905	0.00
23	?b	939	891	0.00
23	?b	938	890	0.00
24	?b	938	890	0.00
24	?b	937	890	0.00
24	?b	937	889	0.00
24	?b	936	888	0.00
25	?b	935	888	0.00
25	?b	935	888	0.00
25	?b	935	888	0.00
25	?b	934	887	0.00
26	?b	934	887	0.00
26	?b	934	887	0.00
26	?b	929	882	0.00
26	?b	929	882	0.00
27	?b	928	881	0.00
27	?b	928	881	0.00
27	?b	928	881	0.00
27	?b	898	852	0.00
28	?b	898	852	0.00
28	?b	898	852	0.00
28	?b	897	852	0.00
28	?b	875	831	0.00
29	?b	875	830	0.00
29	?b	875	830	0.00
29	?b	874	830	0.00
29	?b	848	805	0.00
30	?b	848	805	0.00
30	?b	848	805	0.00
30	?b	813	772	0.00
30	?b	813	772	0.00
31	?b	813	772	0.00
31	?b	813	772	0.00
31	?b	722	685	0.00
31	?b	721	685	0.00
32	?b	721	685	0.00
32	?b	721	684	0.00
32	?b	646	613	18.68
32	?b	646	613	18.68
32	?b	646	613	18.68
33	?b	618	587	0.00
33	?b	618	587	0.00
33	?b	618	586	0.00
33	?b	600	570	0.00
33	?b	600	570	0.00
34	?b	600	570	0.00
34	?b	562	534	0.00
34	?b	562	533	0.00
34	?b	562	533	0.00
34	?b	561	533	0.00
35	?b	561	533	0.00
35	?b	527	500	0.00
35	?b	513	487	0.00
35	?b	513	487	0.00
35	?b	513	487	0.00
36	?b	513	487	0.00
36	?b	512	486	0.00
36	?b	494	469	0.00
36	?b	494	469	0.00
36	?b	494	469	0.00
37	?b	494	469	0.00
37	?b	493	468	0.00
37	?b	485	460	0.00
37	?b	484	460	0.00
37	?b	484	460	0.00
38	?b	484	459	0.00
38	?b	427	406	0.00
38	?b	427	406	0.00
38	?b	427	406	0.00
38	?b	395	375	0.00
39	?b	395	375	0.00
39	?b	395	375	0.00
39	?b	395	374	0.00
39	?b	394	374	0.00
39	?b	379i	360i	0.00
40	?b	379i	360i	0.00
40	?b	379i	360i	0.00
40	?b	379i	360i	0.00
40	?b	379i	360i	0.00
40	?b	665i	631i	0.00
41	?b	666i	632i	0.00
41	?b	666i	633i	0.00
41	?b	781i	741i	0.00
41	?b	781i	741i	0.00
41	?b	781i	741i	0.00
42	?b	781i	741i	0.00
42	?c	7926	7523	0.00
42	?c	7926	7523	0.00
42	?c	7925	7523	0.00
42	?c	7810	7413	0.00
43	?c	7809	7413	0.00
43	?c	7809	7413	0.00
43	?c	7809	7413	0.00
43	T1u	4884	4636	21.45
43	T1u	4884	4636	21.45
44	T1u	4884	4636	21.45
44	Gu	8366i	7941i	0.00
44	Gu	8366i	7941i	0.00
44	Gu	8366i	7941i	0.00
44	Gu	8366i	7941i	0.00
45	Hu	9283	8812	0.00
45	Hu	9283	8812	0.00
45	Hu	9283	8812	0.00
45	Hu	9283	8811	0.00
45	Hu	9283	8811	0.00
46	Hu	6644i	6306i	0.00
46	Hu	6644i	6306i	0.00
46	Hu	6644i	6306i	0.00
46	Hu	6644i	6306i	0.00
46	Hu	6644i	6306i	0.00

Unscaled Zero Point Vibrational Energy (zpe) 63905.1 cm^-1
Scaled (by 0.9492) Zero Point Vibrational Energy (zpe) 60658.8 cm^-1
See section III.C.1 List or set vibrational scaling factors to change the scale factors used here.
See section III.C.2 Calculate a vibrational scaling factor for a given set of molecules to determine the least squares best scaling factor.

Rotational Constants (cm^-1) from geometry optimized at B2PLYP/6-31G*

A	B	C
0.00279	0.00279	0.00279

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

Geometric Data calculated at B2PLYP/6-31G*

Point Group is I_h

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.235	3.328
C2	-1.174	0.381	3.328
C3	-0.726	-0.999	3.328
C4	0.726	-0.999	3.328
C5	1.174	0.381	3.328
C6	2.306	0.749	2.592
C7	3.031	-0.250	1.829
C8	2.599	-1.580	1.829
C9	1.425	-1.961	2.592
C10	0.699	-2.960	1.829
C11	-0.699	-2.960	1.829
C12	-1.425	-1.961	2.592
C13	-2.599	-1.580	1.829
C14	-3.031	-0.250	1.829
C15	-2.306	0.749	2.592
C16	-2.306	1.984	1.829
C17	-3.031	1.748	0.595
C18	-3.480	0.368	0.595
C19	-3.480	-0.368	-0.595
C20	-3.031	-1.748	-0.595
C21	-2.599	-2.343	0.595
C22	-1.425	-3.196	0.595
C23	-0.726	-3.423	-0.595
C24	0.726	-3.423	-0.595
C25	1.425	-3.196	0.595
C26	2.599	-2.343	0.595
C27	3.031	-1.748	-0.595
C28	3.480	-0.368	-0.595
C29	3.480	0.368	0.595
C30	3.031	1.748	0.595
C31	2.599	2.343	-0.595
C32	2.599	1.580	-1.829
C33	3.031	0.250	-1.829
C34	2.306	-0.749	-2.592
C35	2.306	-1.984	-1.829
C36	1.174	-2.806	-1.829
C37	0.000	-2.424	-2.592
C38	-1.174	-2.806	-1.829
C39	-2.306	-1.984	-1.829
C40	-2.306	-0.749	-2.592
C41	-3.031	0.250	-1.829
C42	-2.599	1.580	-1.829
C43	-2.599	2.343	-0.595
C44	-1.425	3.196	-0.595
C45	-0.699	2.960	-1.829
C46	-1.425	1.961	-2.592
C47	-0.726	0.999	-3.328
C48	-1.174	-0.381	-3.328
C49	0.000	-1.235	-3.328
C50	1.174	-0.381	-3.328
C51	0.726	0.999	-3.328
C52	1.425	1.961	-2.592
C53	0.699	2.960	-1.829
C54	1.425	3.196	-0.595
C55	0.726	3.423	0.595
C56	-0.726	3.423	0.595
C57	-1.174	2.806	1.829
C58	0.000	2.424	2.592
C59	1.174	2.806	1.829
C60	2.306	1.984	1.829

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		1.4513	2.3482	2.3482	1.4513	2.4682	3.6927	4.1134	3.5755	4.5086	4.5086	3.5755	4.1134	3.6927	2.4682	2.8499	4.1134	4.5086	5.4828	5.7852	5.1981	5.3969	6.1323	6.1323	5.3969	5.1981	5.7852	5.4828	4.5086	4.1134	4.8341	5.7852	6.0624	6.6556	6.5013	6.6556	6.9594	6.6556	6.5013	6.6556	6.0624	5.7852	4.8341	4.6112	5.4828	6.1323	6.6989	6.9486	7.0985	6.9486	6.6989	6.1323	5.4828	4.6112	3.5755	3.5755	2.4682	1.3986	2.4682	2.8499
C2	1.4513		1.4513	2.3482	2.3482	3.5755	4.5086	4.5086	3.5755	4.1134	3.6927	2.4682	2.8499	2.4682	1.3986	2.4682	3.5755	3.5755	4.6112	4.8341	4.1134	4.5086	5.4828	5.7852	5.1981	5.3969	6.1323	6.1323	5.3969	5.1981	5.7852	6.5013	6.6556	6.9594	6.6556	6.5013	6.6556	6.0624	5.7852	6.1323	5.4828	5.4828	4.6112	4.8341	5.7852	6.1323	6.6989	6.6989	6.9486	7.0985	6.9486	6.6556	6.0624	5.4828	4.5086	4.1134	2.8499	2.4682	3.6927	4.1134
C3	2.3482	1.4513		1.4513	2.3482	3.5755	4.1134	3.6927	2.4682	2.8499	2.4682	1.3986	2.4682	2.8499	2.4682	3.6927	4.5086	4.1134	4.8341	4.6112	3.5755	3.5755	4.6112	4.8341	4.1134	4.5086	5.4828	5.7852	5.1981	5.3969	6.1323	6.6556	6.5013	6.6556	6.0624	5.7852	6.1323	5.4828	5.4828	6.1323	5.7852	6.0624	5.4828	5.7852	6.5013	6.6556	6.9486	6.6989	6.6989	6.9486	7.0985	6.9594	6.6556	6.1323	5.3969	5.1981	4.1134	3.5755	4.5086	4.5086
C4	2.3482	2.3482	1.4513		1.4513	2.4682	2.8499	2.4682	1.3986	2.4682	2.8499	2.4682	3.6927	4.1134	3.5755	4.5086	5.3969	5.1981	5.7852	5.4828	4.5086	4.1134	4.8341	4.6112	3.5755	3.5755	4.6112	4.8341	4.1134	4.5086	5.4828	6.0624	5.7852	6.1323	5.4828	5.4828	6.1323	5.7852	6.0624	6.6556	6.5013	6.6556	6.1323	6.1323	6.6556	6.9594	7.0985	6.9486	6.6989	6.6989	6.9486	6.6556	6.5013	5.7852	5.1981	5.3969	4.5086	3.5755	4.1134	3.6927
C5	1.4513	2.3482	2.3482	1.4513		1.3986	2.4682	2.8499	2.4682	3.6927	4.1134	3.5755	4.5086	4.5086	3.5755	4.1134	5.1981	5.3969	6.1323	6.1323	5.3969	5.1981	5.7852	5.4828	4.5086	4.1134	4.8341	4.6112	3.5755	3.5755	4.6112	5.4828	5.4828	6.1323	5.7852	6.0624	6.6556	6.5013	6.6556	6.9594	6.6556	6.5013	5.7852	5.4828	6.0624	6.6556	6.9486	7.0985	6.9486	6.6989	6.6989	6.1323	5.7852	4.8341	4.1134	4.5086	3.6927	2.4682	2.8499	2.4682
C6	2.4682	3.5755	3.5755	2.4682	1.3986		1.4513	2.4682	2.8499	4.1134	4.8341	4.6112	5.4828	5.4828	4.6112	4.8341	5.7852	6.1323	6.6989	6.6989	6.1323	5.7852	6.0624	5.4828	4.5086	3.6927	4.1134	3.5755	2.3482	2.3482	3.5755	4.5086	4.5086	5.3969	5.1981	5.7852	6.5013	6.6556	6.9486	7.0985	6.9486	6.6556	6.0624	5.4828	5.7852	6.5013	6.6556	6.9594	6.6556	6.1323	6.1323	5.3969	5.1981	4.1134	3.6927	4.5086	4.1134	2.8499	2.4682	1.4513
C7	3.6927	4.5086	4.1134	2.8499	2.4682	1.4513		1.3986	2.4682	3.5755	4.6112	4.8342	5.7852	6.0624	5.4828	5.7852	6.5013	6.6556	6.9486	6.6989	6.1323	5.4828	5.4828	4.6112	3.5755	2.4682	2.8499	2.4682	1.4513	2.3482	3.5755	4.1134	3.6927	4.5086	4.1134	4.8341	5.7852	6.1323	6.6989	6.9486	7.0985	6.9594	6.6556	6.1323	6.1323	6.6556	6.5013	6.6556	6.0624	5.4828	5.7852	5.1981	5.3969	4.5086	4.5086	5.3969	5.1981	4.1134	3.5755	2.3482
C8	4.1134	4.5086	3.6927	2.4682	2.8499	2.4682	1.3986		1.4513	2.3482	3.5755	4.1134	5.1981	5.7852	5.4828	6.0624	6.6556	6.5013	6.6556	6.1323	5.3969	4.5086	4.5086	3.5755	2.3482	1.4513	2.4682	2.8499	2.4682	3.5755	4.6112	4.8342	4.1134	4.5086	3.6927	4.1134	5.1981	5.3969	6.1323	6.6556	6.9594	7.0985	6.9486	6.6989	6.6989	6.9486	6.6556	6.5013	5.7852	5.4828	6.0624	5.7852	6.1323	5.4828	5.4828	6.1323	5.7852	4.8341	4.6112	3.5755
C9	3.5755	3.5755	2.4682	1.3986	2.4682	2.8499	2.4682	1.4513		1.4513	2.4682	2.8499	4.1134	4.8342	4.6112	5.4828	6.1323	5.7852	6.0624	5.4828	4.5086	3.6927	4.1134	3.5755	2.3482	2.3482	3.5755	4.1134	3.6927	4.5086	5.4828	5.7852	5.1981	5.3969	4.5086	4.5086	5.3969	5.1981	5.7852	6.5013	6.6556	6.9486	6.6989	6.6989	6.9486	7.0985	6.9594	6.6556	6.1323	6.1323	6.6556	6.5013	6.6556	6.0624	5.7852	6.1323	5.4828	4.6112	4.8341	4.1134
C10	4.5086	4.1134	2.8499	2.4682	3.6927	4.1134	3.5755	2.3482	1.4513		1.3986	2.4682	3.5755	4.6112	4.8341	5.7852	6.1323	5.4828	5.4828	4.6112	3.5755	2.4682	2.8499	2.4682	1.4513	2.3482	3.5755	4.5086	4.5086	5.3969	6.1323	6.1323	5.3969	5.1981	4.1134	3.6927	4.5086	4.1134	4.8342	5.7852	6.1323	6.6989	6.6989	6.9486	7.0985	6.9486	6.6556	6.0624	5.4828	5.7852	6.5013	6.6556	6.9594	6.6556	6.5013	6.6556	6.0624	5.4828	5.7852	5.1981
C11	4.5086	3.6927	2.4682	2.8499	4.1134	4.8341	4.6112	3.5755	2.4682	1.3986		1.4513	2.3482	3.5755	4.1134	5.1981	5.3969	4.5086	4.5086	3.5755	2.3482	1.4513	2.4682	2.8499	2.4682	3.5755	4.6112	5.4828	5.4828	6.1323	6.6989	6.6989	6.1323	5.7852	4.8342	4.1134	4.5086	3.6927	4.1134	5.1981	5.3969	6.1323	6.1323	6.6556	6.9594	6.6556	6.5013	5.7852	5.4828	6.0624	6.6556	6.9486	7.0985	6.9486	6.6556	6.5013	5.7852	5.4828	6.0624	5.7852
C12	3.5755	2.4682	1.3986	2.4682	3.5755	4.6112	4.8342	4.1134	2.8499	2.4682	1.4513		1.4513	2.4682	2.8499	4.1134	4.5086	3.6927	4.1134	3.5755	2.3482	2.3482	3.5755	4.1134	3.6927	4.5086	5.4828	6.0624	5.7852	6.1323	6.6989	6.9486	6.6556	6.5013	5.7852	5.1981	5.3969	4.5086	4.5086	5.3969	5.1981	5.7852	5.4828	6.0624	6.6556	6.5013	6.6556	6.1323	6.1323	6.6556	6.9594	7.0985	6.9486	6.6989	6.1323	5.7852	4.8341	4.6112	5.4828	5.4828
C13	4.1134	2.8499	2.4682	3.6927	4.5086	5.4828	5.7852	5.1981	4.1134	3.5755	2.3482	1.4513		1.3986	2.4682	3.5755	3.5755	2.4682	2.8499	2.4682	1.4513	2.3482	3.5755	4.5086	4.5086	5.3969	6.1323	6.6556	6.5013	6.6556	6.9486	7.0985	6.9594	6.6556	6.1323	5.3969	5.1981	4.1134	3.6927	4.5086	4.1134	4.8342	4.6112	5.4828	6.1323	5.7852	6.0624	5.4828	5.7852	6.5013	6.6556	6.9486	6.6989	6.6989	6.1323	5.4828	4.6112	4.8341	5.7852	6.0624
C14	3.6927	2.4682	2.8499	4.1134	4.5086	5.4828	6.0624	5.7852	4.8342	4.6112	3.5755	2.4682	1.3986		1.4513	2.3482	2.3482	1.4513	2.4682	2.8499	2.4682	3.5755	4.6112	5.4828	5.4828	6.1323	6.6989	6.9486	6.6556	6.5013	6.6556	6.9594	7.0985	6.9486	6.6989	6.1323	5.7852	4.8341	4.1134	4.5086	3.6927	4.1134	3.5755	4.5086	5.3969	5.1981	5.7852	5.4828	6.0624	6.6556	6.5013	6.6556	6.1323	6.1323	5.3969	4.5086	3.5755	4.1134	5.1981	5.7852
C15	2.4682	1.3986	2.4682	3.5755	3.5755	4.6112	5.4828	5.4828	4.6112	4.8341	4.1134	2.8499	2.4682	1.4513		1.4513	2.3482	2.3482	3.5755	4.1134	3.6927	4.5086	5.4828	6.0624	5.7852	6.1323	6.6989	6.6989	6.1323	5.7852	6.0624	6.6556	6.9486	7.0985	6.9486	6.6556	6.5013	5.7852	5.1981	5.3969	4.5086	4.5086	3.5755	4.1134	5.1981	5.3969	6.1323	6.1323	6.6556	6.9594	6.6556	6.5013	5.7852	5.4828	4.5086	3.6927	2.4682	2.8499	4.1134	4.8341
C16	2.8499	2.4682	3.6927	4.5086	4.1134	4.8341	5.7852	6.0624	5.4828	5.7852	5.1981	4.1134	3.5755	2.3482	1.4513		1.4513	2.3482	3.5755	4.5086	4.5086	5.3969	6.1323	6.6556	6.5013	6.6556	6.9486	6.6989	6.1323	5.4828	5.4828	6.1323	6.6989	6.9486	7.0985	6.9594	6.6556	6.1323	5.3969	5.1981	4.1134	3.6927	2.4682	2.8499	4.1134	4.5086	5.4828	5.7852	6.5013	6.6556	6.0624	5.7852	4.8342	4.6112	3.5755	2.4682	1.3986	2.4682	3.5755	4.6112
C17	4.1134	3.5755	4.5086	5.3969	5.1981	5.7852	6.5013	6.6556	6.1323	6.1323	5.3969	4.5086	3.5755	2.3482	2.3482	1.4513		1.4513	2.4682	3.6927	4.1134	5.1981	5.7852	6.5013	6.6556	6.9594	7.0985	6.9486	6.6556	6.0624	5.7852	6.1323	6.6989	6.6989	6.9486	6.6556	6.0624	5.4828	4.5086	4.1134	2.8499	2.4682	1.3986	2.4682	3.5755	3.5755	4.6112	4.8341	5.7852	6.1323	5.4828	5.4828	4.6112	4.8342	4.1134	2.8499	2.4682	3.6927	4.5086	5.4828
C18	4.5086	3.5755	4.1134	5.1981	5.3969	6.1323	6.6556	6.5013	5.7852	5.4828	4.5086	3.6927	2.4682	1.4513	2.3482	2.3482	1.4513		1.3986	2.4682	2.8499	4.1134	4.8341	5.7852	6.0624	6.6556	6.9486	7.0985	6.9594	6.6556	6.5013	6.6556	6.9486	6.6989	6.6989	6.1323	5.4828	4.6112	3.5755	3.5755	2.4682	2.8499	2.4682	3.6927	4.5086	4.1134	4.8341	4.6112	5.4828	6.1323	5.7852	6.0624	5.4828	5.7852	5.1981	4.1134	3.5755	4.5086	5.3969	6.1323
C19	5.4828	4.6112	4.8341	5.7852	6.1323	6.6989	6.9486	6.6556	6.0624	5.4828	4.5086	4.1134	2.8499	2.4682	3.5755	3.5755	2.4682	1.3986		1.4513	2.4682	3.6927	4.1134	5.1981	5.7852	6.5013	6.6556	6.9594	7.0985	6.9486	6.6556	6.5013	6.6556	6.1323	6.1323	5.3969	4.5086	3.5755	2.3482	2.3482	1.4513	2.4682	2.8499	4.1134	4.5086	3.6927	4.1134	3.5755	4.5086	5.3969	5.1981	5.7852	5.4828	6.0624	5.7852	4.8341	4.6112	5.4828	6.1323	6.6989
C20	5.7852	4.8341	4.6112	5.4828	6.1323	6.6989	6.6989	6.1323	5.4828	4.6112	3.5755	3.5755	2.4682	2.8499	4.1134	4.5086	3.6927	2.4682	1.4513		1.3986	2.4682	2.8499	4.1134	4.8342	5.7852	6.0624	6.6556	6.9486	7.0985	6.9594	6.6556	6.5013	5.7852	5.4828	4.5086	3.6927	2.4682	1.4513	2.3482	2.3482	3.5755	4.1134	5.1981	5.3969	4.5086	4.5086	3.5755	4.1134	5.1981	5.3969	6.1323	6.1323	6.6556	6.5013	5.7852	5.4828	6.0624	6.6556	6.9486
C21	5.1981	4.1134	3.5755	4.5086	5.3969	6.1323	6.1323	5.3969	4.5086	3.5755	2.3482	2.3482	1.4513	2.4682	3.6927	4.5086	4.1134	2.8499	2.4682	1.3986		1.4513	2.4682	3.6927	4.1134	5.1981	5.7852	6.5013	6.6556	6.9594	7.0985	6.9486	6.6556	6.0624	5.4828	4.5086	4.1134	2.8499	2.4682	3.5755	3.5755	4.6112	4.8341	5.7852	6.1323	5.4828	5.4828	4.6112	4.8341	5.7852	6.1323	6.6989	6.6989	6.9486	6.6556	6.0624	5.4828	5.7852	6.5013	6.6556
C22	5.3969	4.5086	3.5755	4.1134	5.1981	5.7852	5.4828	4.5086	3.6927	2.4682	1.4513	2.3482	2.3482	3.5755	4.5086	5.3969	5.1981	4.1134	3.6927	2.4682	1.4513		1.3986	2.4682	2.8499	4.1134	4.8342	5.7852	6.0624	6.6556	6.9486	6.6989	6.1323	5.4828	4.6112	3.5755	3.5755	2.4682	2.8499	4.1134	4.5086	5.4828	5.7852	6.5013	6.6556	6.0624	5.7852	4.8341	4.6112	5.4828	6.1323	6.6989	6.9486	7.0985	6.9594	6.6556	6.1323	6.1323	6.6556	6.5013
C23	6.1323	5.4828	4.6112	4.8341	5.7852	6.0624	5.4828	4.5086	4.1134	2.8499	2.4682	3.5755	3.5755	4.6112	5.4828	6.1323	5.7852	4.8341	4.1134	2.8499	2.4682	1.3986		1.4513	2.4682	3.6927	4.1134	5.1981	5.7852	6.5013	6.6556	6.1323	5.3969	4.5086	3.5755	2.3482	2.3482	1.4513	2.4682	3.6927	4.5086	5.4828	6.0624	6.6556	6.5013	5.7852	5.1981	4.1134	3.5755	4.5086	5.3969	6.1323	6.6556	6.9594	7.0985	6.9486	6.6989	6.6989	6.9486	6.6556
C24	6.1323	5.7852	4.8341	4.6112	5.4828	5.4828	4.6112	3.5755	3.5755	2.4682	2.8499	4.1134	4.5086	5.4828	6.0624	6.6556	6.5013	5.7852	5.1981	4.1134	3.6927	2.4682	1.4513		1.3986	2.4682	2.8499	4.1134	4.8341	5.7852	6.0624	5.4828	4.5086	3.6927	2.4682	1.4513	2.3482	2.3482	3.5755	4.5086	5.3969	6.1323	6.6556	6.9594	6.6556	6.1323	5.3969	4.5086	3.5755	4.1134	5.1981	5.7852	6.5013	6.6556	6.9486	7.0985	6.9486	6.6989	6.6989	6.1323
C25	5.3969	5.1981	4.1134	3.5755	4.5086	4.5086	3.5755	2.3482	2.3482	1.4513	2.4682	3.6927	4.5086	5.4828	5.7852	6.5013	6.6556	6.0624	5.7852	4.8342	4.1134	2.8499	2.4682	1.3986		1.4513	2.4682	3.6927	4.1134	5.1981	5.7852	5.4828	4.5086	4.1134	2.8499	2.4682	3.5755	3.5755	4.6112	5.4828	6.1323	6.6989	6.9486	7.0985	6.9486	6.6989	6.1323	5.4828	4.6112	4.8341	5.7852	6.0624	6.6556	6.5013	6.6556	6.9594	6.6556	6.1323	6.1323	5.3969
C26	5.1981	5.3969	4.5086	3.5755	4.1134	3.6927	2.4682	1.4513	2.3482	2.3482	3.5755	4.5086	5.3969	6.1323	6.1323	6.6556	6.9594	6.6556	6.5013	5.7852	5.1981	4.1134	3.6927	2.4682	1.4513		1.3986	2.4682	2.8499	4.1134	4.8341	4.6112	3.5755	3.5755	2.4682	2.8499	4.1134	4.5086	5.4828	6.0624	6.6556	6.9486	7.0985	6.9486	6.6989	6.6989	6.1323	5.7852	4.8341	4.6112	5.4828	5.4828	6.1323	5.7852	6.0624	6.6556	6.5013	5.7852	5.4828	4.5086
C27	5.7852	6.1323	5.4828	4.6112	4.8341	4.1134	2.8499	2.4682	3.5755	3.5755	4.6112	5.4828	6.1323	6.6989	6.6989	6.9486	7.0985	6.9486	6.6556	6.0624	5.7852	4.8342	4.1134	2.8499	2.4682	1.3986		1.4513	2.4682	3.6927	4.1134	3.5755	2.3482	2.3482	1.4513	2.4682	3.6927	4.5086	5.4828	5.7852	6.5013	6.6556	6.9594	6.6556	6.1323	6.1323	5.3969	5.1981	4.1134	3.5755	4.5086	4.5086	5.3969	5.1981	5.7852	6.5013	6.6556	6.0624	5.4828	4.5086
C28	5.4828	6.1323	5.7852	4.8341	4.6112	3.5755	2.4682	2.8499	4.1134	4.5086	5.4828	6.0624	6.6556	6.9486	6.6989	6.6989	6.9486	7.0985	6.9594	6.6556	6.5013	5.7852	5.1981	4.1134	3.6927	2.4682	1.4513		1.3986	2.4682	2.8499	2.4682	1.4513	2.3482	2.3482	3.5755	4.5086	5.3969	6.1323	6.1323	6.6556	6.5013	6.6556	6.0624	5.4828	5.7852	5.1981	5.3969	4.5086	3.5755	4.1134	3.6927	4.5086	4.1134	4.8341	5.7852	6.1323	5.4828	4.6112	3.5755
C29	4.5086	5.3969	5.1981	4.1134	3.5755	2.3482	1.4513	2.4682	3.6927	4.5086	5.4828	5.7852	6.5013	6.6556	6.1323	6.1323	6.6556	6.9594	7.0985	6.9486	6.6556	6.0624	5.7852	4.8341	4.1134	2.8499	2.4682	1.3986		1.4513	2.4682	2.8499	2.4682	3.5755	3.5755	4.6112	5.4828	6.1323	6.6989	6.6989	6.9486	6.6556	6.5013	5.7852	5.4828	6.0624	5.7852	6.1323	5.4828	4.6112	4.8341	4.1134	4.5086	3.6927	4.1134	5.1981	5.3969	4.5086	3.5755	2.3482
C30	4.1134	5.1981	5.3969	4.5086	3.5755	2.3482	2.3482	3.5755	4.5086	5.3969	6.1323	6.1323	6.6556	6.5013	5.7852	5.4828	6.0624	6.6556	6.9486	7.0985	6.9594	6.6556	6.5013	5.7852	5.1981	4.1134	3.6927	2.4682	1.4513		1.3986	2.4682	2.8499	4.1134	4.5086	5.4828	6.0624	6.6556	6.9486	6.6989	6.6989	6.1323	5.7852	4.8342	4.6112	5.4828	5.4828	6.1323	5.7852	4.8341	4.6112	3.5755	3.5755	2.4682	2.8499	4.1134	4.5086	3.6927	2.4682	1.4513
C31	4.8341	5.7852	6.1323	5.4828	4.6112	3.5755	3.5755	4.6112	5.4828	6.1323	6.6989	6.6989	6.9486	6.6556	6.0624	5.4828	5.7852	6.5013	6.6556	6.9594	7.0985	6.9486	6.6556	6.0624	5.7852	4.8341	4.1134	2.8499	2.4682	1.3986		1.4513	2.4682	3.6927	4.5086	5.4828	5.7852	6.5013	6.6556	6.1323	6.1323	5.3969	5.1981	4.1134	3.5755	4.5086	4.5086	5.3969	5.1981	4.1134	3.5755	2.3482	2.3482	1.4513	2.4682	3.6927	4.5086	4.1134	2.8499	2.4682
C32	5.7852	6.5013	6.6556	6.0624	5.4828	4.5086	4.1134	4.8342	5.7852	6.1323	6.6989	6.9486	7.0985	6.9594	6.6556	6.1323	6.1323	6.6556	6.5013	6.6556	6.9486	6.6989	6.1323	5.4828	5.4828	4.6112	3.5755	2.4682	2.8499	2.4682	1.4513		1.3986	2.4682	3.5755	4.6112	4.8341	5.7852	6.0624	5.4828	5.7852	5.1981	5.3969	4.5086	3.5755	4.1134	3.6927	4.5086	4.1134	2.8499	2.4682	1.4513	2.3482	2.3482	3.5755	4.5086	5.3969	5.1981	4.1134	3.6927
C33	6.0624	6.6556	6.5013	5.7852	5.4828	4.5086	3.6927	4.1134	5.1981	5.3969	6.1323	6.6556	6.9594	7.0985	6.9486	6.6989	6.6989	6.9486	6.6556	6.5013	6.6556	6.1323	5.3969	4.5086	4.5086	3.5755	2.3482	1.4513	2.4682	2.8499	2.4682	1.3986		1.4513	2.3482	3.5755	4.1134	5.1981	5.7852	5.4828	6.0624	5.7852	6.1323	5.4828	4.6112	4.8342	4.1134	4.5086	3.6927	2.4682	2.8499	2.4682	3.5755	3.5755	4.6112	5.4828	6.1323	5.7852	4.8341	4.1134
C34	6.6556	6.9594	6.6556	6.1323	6.1323	5.3969	4.5086	4.5086	5.3969	5.1981	5.7852	6.5013	6.6556	6.9486	7.0985	6.9486	6.6989	6.6989	6.1323	5.7852	6.0624	5.4828	4.5086	3.6927	4.1134	3.5755	2.3482	2.3482	3.5755	4.1134	3.6927	2.4682	1.4513		1.4513	2.4682	2.8499	4.1134	4.8341	4.6112	5.4828	5.4828	6.1323	5.7852	4.8341	4.6112	3.5755	3.5755	2.4682	1.3986	2.4682	2.8499	4.1134	4.5086	5.4828	6.0624	6.6556	6.5013	5.7852	5.1981
C35	6.5013	6.6556	6.0624	5.4828	5.7852	5.1981	4.1134	3.6927	4.5086	4.1134	4.8342	5.7852	6.1323	6.6989	6.9486	7.0985	6.9486	6.6989	6.1323	5.4828	5.4828	4.6112	3.5755	2.4682	2.8499	2.4682	1.4513	2.3482	3.5755	4.5086	4.5086	3.5755	2.3482	1.4513		1.3986	2.4682	3.5755	4.6112	4.8341	5.7852	6.0624	6.6556	6.5013	5.7852	5.4828	4.5086	4.1134	2.8499	2.4682	3.6927	4.1134	5.1981	5.3969	6.1323	6.6556	6.9594	6.6556	6.1323	5.3969
C36	6.6556	6.5013	5.7852	5.4828	6.0624	5.7852	4.8341	4.1134	4.5086	3.6927	4.1134	5.1981	5.3969	6.1323	6.6556	6.9594	6.6556	6.1323	5.3969	4.5086	4.5086	3.5755	2.3482	1.4513	2.4682	2.8499	2.4682	3.5755	4.6112	5.4828	5.4828	4.6112	3.5755	2.4682	1.3986		1.4513	2.3482	3.5755	4.1134	5.1981	5.7852	6.5013	6.6556	6.0624	5.4828	4.5086	3.6927	2.4682	2.8499	4.1134	4.8341	5.7852	6.1323	6.6989	6.9486	7.0985	6.9486	6.6989	6.1323
C37	6.9594	6.6556	6.1323	6.1323	6.6556	6.5013	5.7852	5.1981	5.3969	4.5086	4.5086	5.3969	5.1981	5.7852	6.5013	6.6556	6.0624	5.4828	4.5086	3.6927	4.1134	3.5755	2.3482	2.3482	3.5755	4.1134	3.6927	4.5086	5.4828	6.0624	5.7852	4.8341	4.1134	2.8499	2.4682	1.4513		1.4513	2.4682	2.8499	4.1134	4.8341	5.7852	6.1323	5.4828	4.6112	3.5755	2.4682	1.3986	2.4682	3.5755	4.6112	5.4828	6.1323	6.6989	6.6989	6.9486	7.0985	6.9486	6.6556
C38	6.6556	6.0624	5.4828	5.7852	6.5013	6.6556	6.1323	5.3969	5.1981	4.1134	3.6927	4.5086	4.1134	4.8341	5.7852	6.1323	5.4828	4.6112	3.5755	2.4682	2.8499	2.4682	1.4513	2.3482	3.5755	4.5086	4.5086	5.3969	6.1323	6.6556	6.5013	5.7852	5.1981	4.1134	3.5755	2.3482	1.4513		1.3986	2.4682	3.5755	4.6112	5.4828	6.1323	5.7852	4.8341	4.1134	2.8499	2.4682	3.6927	4.5086	5.4828	6.0624	6.6556	6.9486	6.6989	6.6989	6.9486	7.0985	6.9594
C39	6.5013	5.7852	5.4828	6.0624	6.6556	6.9486	6.6989	6.1323	5.7852	4.8342	4.1134	4.5086	3.6927	4.1134	5.1981	5.3969	4.5086	3.5755	2.3482	1.4513	2.4682	2.8499	2.4682	3.5755	4.6112	5.4828	5.4828	6.1323	6.6989	6.9486	6.6556	6.0624	5.7852	4.8341	4.6112	3.5755	2.4682	1.3986		1.4513	2.3482	3.5755	4.5086	5.3969	5.1981	4.1134	3.6927	2.4682	2.8499	4.1134	4.5086	5.4828	5.7852	6.5013	6.6556	6.1323	6.1323	6.6556	6.9594	7.0985
C40	6.6556	6.1323	6.1323	6.6556	6.9594	7.0985	6.9486	6.6556	6.5013	5.7852	5.1981	5.3969	4.5086	4.5086	5.3969	5.1981	4.1134	3.5755	2.3482	2.3482	3.5755	4.1134	3.6927	4.5086	5.4828	6.0624	5.7852	6.1323	6.6989	6.6989	6.1323	5.4828	5.4828	4.6112	4.8341	4.1134	2.8499	2.4682	1.4513		1.4513	2.4682	3.6927	4.5086	4.1134	2.8499	2.4682	1.3986	2.4682	3.5755	3.5755	4.6112	4.8341	5.7852	6.0624	5.4828	5.7852	6.5013	6.6556	6.9486
C41	6.0624	5.4828	5.7852	6.5013	6.6556	6.9486	7.0985	6.9594	6.6556	6.1323	5.3969	5.1981	4.1134	3.6927	4.5086	4.1134	2.8499	2.4682	1.4513	2.3482	3.5755	4.5086	4.5086	5.3969	6.1323	6.6556	6.5013	6.6556	6.9486	6.6989	6.1323	5.7852	6.0624	5.4828	5.7852	5.1981	4.1134	3.5755	2.3482	1.4513		1.3986	2.4682	3.5755	3.5755	2.4682	2.8499	2.4682	3.6927	4.5086	4.1134	4.8342	4.6112	5.4828	5.4828	4.6112	4.8341	5.7852	6.1323	6.6989
C42	5.7852	5.4828	6.0624	6.6556	6.5013	6.6556	6.9594	7.0985	6.9486	6.6989	6.1323	5.7852	4.8342	4.1134	4.5086	3.6927	2.4682	2.8499	2.4682	3.5755	4.6112	5.4828	5.4828	6.1323	6.6989	6.9486	6.6556	6.5013	6.6556	6.1323	5.3969	5.1981	5.7852	5.4828	6.0624	5.7852	4.8341	4.6112	3.5755	2.4682	1.3986		1.4513	2.3482	2.3482	1.4513	2.4682	2.8499	4.1134	4.5086	3.6927	4.1134	3.5755	4.5086	4.5086	3.5755	4.1134	5.1981	5.3969	6.1323
C43	4.8341	4.6112	5.4828	6.1323	5.7852	6.0624	6.6556	6.9486	6.6989	6.6989	6.1323	5.4828	4.6112	3.5755	3.5755	2.4682	1.3986	2.4682	2.8499	4.1134	4.8341	5.7852	6.0624	6.6556	6.9486	7.0985	6.9594	6.6556	6.5013	5.7852	5.1981	5.3969	6.1323	6.1323	6.6556	6.5013	5.7852	5.4828	4.5086	3.6927	2.4682	1.4513		1.4513	2.3482	2.3482	3.5755	4.1134	5.1981	5.3969	4.5086	4.5086	3.5755	4.1134	3.6927	2.4682	2.8499	4.1134	4.5086	5.4828
C44	4.6112	4.8341	5.7852	6.1323	5.4828	5.4828	6.1323	6.6989	6.6989	6.9486	6.6556	6.0624	5.4828	4.5086	4.1134	2.8499	2.4682	3.6927	4.1134	5.1981	5.7852	6.5013	6.6556	6.9594	7.0985	6.9486	6.6556	6.0624	5.7852	4.8342	4.1134	4.5086	5.4828	5.7852	6.5013	6.6556	6.1323	6.1323	5.3969	4.5086	3.5755	2.3482	1.4513		1.4513	2.3482	3.5755	4.5086	5.3969	5.1981	4.1134	3.6927	2.4682	2.8499	2.4682	1.3986	2.4682	3.5755	3.5755	4.6112
C45	5.4828	5.7852	6.5013	6.6556	6.0624	5.7852	6.1323	6.6989	6.9486	7.0985	6.9594	6.6556	6.1323	5.3969	5.1981	4.1134	3.5755	4.5086	4.5086	5.3969	6.1323	6.6556	6.5013	6.6556	6.9486	6.6989	6.1323	5.4828	5.4828	4.6112	3.5755	3.5755	4.6112	4.8341	5.7852	6.0624	5.4828	5.7852	5.1981	4.1134	3.5755	2.3482	2.3482	1.4513		1.4513	2.4682	3.6927	4.5086	4.1134	2.8499	2.4682	1.3986	2.4682	2.8499	2.4682	3.6927	4.5086	4.1134	4.8342
C46	6.1323	6.1323	6.6556	6.9594	6.6556	6.5013	6.6556	6.9486	7.0985	6.9486	6.6556	6.5013	5.7852	5.1981	5.3969	4.5086	3.5755	4.1134	3.6927	4.5086	5.4828	6.0624	5.7852	6.1323	6.6989	6.6989	6.1323	5.7852	6.0624	5.4828	4.5086	4.1134	4.8342	4.6112	5.4828	5.4828	4.6112	4.8341	4.1134	2.8499	2.4682	1.4513	2.3482	2.3482	1.4513		1.3986	2.4682	3.5755	3.5755	2.4682	2.8499	2.4682	3.6927	4.1134	3.5755	4.5086	5.3969	5.1981	5.7852
C47	6.6989	6.6989	6.9486	7.0985	6.9486	6.6556	6.5013	6.6556	6.9594	6.6556	6.5013	6.6556	6.0624	5.7852	6.1323	5.4828	4.6112	4.8341	4.1134	4.5086	5.4828	5.7852	5.1981	5.3969	6.1323	6.1323	5.3969	5.1981	5.7852	5.4828	4.5086	3.6927	4.1134	3.5755	4.5086	4.5086	3.5755	4.1134	3.6927	2.4682	2.8499	2.4682	3.5755	3.5755	2.4682	1.3986		1.4513	2.3482	2.3482	1.4513	2.4682	2.8499	4.1134	4.8341	4.6112	5.4828	6.1323	5.7852	6.0624
C48	6.9486	6.6989	6.6989	6.9486	7.0985	6.9594	6.6556	6.5013	6.6556	6.0624	5.7852	6.1323	5.4828	5.4828	6.1323	5.7852	4.8341	4.6112	3.5755	3.5755	4.6112	4.8341	4.1134	4.5086	5.4828	5.7852	5.1981	5.3969	6.1323	6.1323	5.3969	4.5086	4.5086	3.5755	4.1134	3.6927	2.4682	2.8499	2.4682	1.3986	2.4682	2.8499	4.1134	4.5086	3.6927	2.4682	1.4513		1.4513	2.3482	2.3482	3.5755	4.1134	5.1981	5.7852	5.4828	6.0624	6.6556	6.5013	6.6556
C49	7.0985	6.9486	6.6989	6.6989	6.9486	6.6556	6.0624	5.7852	6.1323	5.4828	5.4828	6.1323	5.7852	6.0624	6.6556	6.5013	5.7852	5.4828	4.5086	4.1134	4.8341	4.6112	3.5755	3.5755	4.6112	4.8341	4.1134	4.5086	5.4828	5.7852	5.1981	4.1134	3.6927	2.4682	2.8499	2.4682	1.3986	2.4682	2.8499	2.4682	3.6927	4.1134	5.1981	5.3969	4.5086	3.5755	2.3482	1.4513		1.4513	2.3482	3.5755	4.5086	5.3969	6.1323	6.1323	6.6556	6.9594	6.6556	6.5013
C50	6.9486	7.0985	6.9486	6.6989	6.6989	6.1323	5.4828	5.4828	6.1323	5.7852	6.0624	6.6556	6.5013	6.6556	6.9594	6.6556	6.1323	6.1323	5.3969	5.1981	5.7852	5.4828	4.5086	4.1134	4.8341	4.6112	3.5755	3.5755	4.6112	4.8341	4.1134	2.8499	2.4682	1.3986	2.4682	2.8499	2.4682	3.6927	4.1134	3.5755	4.5086	4.5086	5.3969	5.1981	4.1134	3.5755	2.3482	2.3482	1.4513		1.4513	2.4682	3.6927	4.5086	5.4828	5.7852	6.5013	6.6556	6.0624	5.7852
C51	6.6989	6.9486	7.0985	6.9486	6.6989	6.1323	5.7852	6.0624	6.6556	6.5013	6.6556	6.9594	6.6556	6.5013	6.6556	6.0624	5.4828	5.7852	5.1981	5.3969	6.1323	6.1323	5.3969	5.1981	5.7852	5.4828	4.5086	4.1134	4.8341	4.6112	3.5755	2.4682	2.8499	2.4682	3.6927	4.1134	3.5755	4.5086	4.5086	3.5755	4.1134	3.6927	4.5086	4.1134	2.8499	2.4682	1.4513	2.3482	2.3482	1.4513		1.3986	2.4682	3.5755	4.6112	4.8341	5.7852	6.1323	5.4828	5.4828
C52	6.1323	6.6556	6.9594	6.6556	6.1323	5.3969	5.1981	5.7852	6.5013	6.6556	6.9486	7.0985	6.9486	6.6556	6.5013	5.7852	5.4828	6.0624	5.7852	6.1323	6.6989	6.6989	6.1323	5.7852	6.0624	5.4828	4.5086	3.6927	4.1134	3.5755	2.3482	1.4513	2.4682	2.8499	4.1134	4.8341	4.6112	5.4828	5.4828	4.6112	4.8342	4.1134	4.5086	3.6927	2.4682	2.8499	2.4682	3.5755	3.5755	2.4682	1.3986		1.4513	2.3482	3.5755	4.1134	5.1981	5.3969	4.5086	4.5086
C53	5.4828	6.0624	6.6556	6.5013	5.7852	5.1981	5.3969	6.1323	6.6556	6.9594	7.0985	6.9486	6.6989	6.1323	5.7852	4.8342	4.6112	5.4828	5.4828	6.1323	6.6989	6.9486	6.6556	6.5013	6.6556	6.1323	5.3969	4.5086	4.5086	3.5755	2.3482	2.3482	3.5755	4.1134	5.1981	5.7852	5.4828	6.0624	5.7852	4.8341	4.6112	3.5755	3.5755	2.4682	1.3986	2.4682	2.8499	4.1134	4.5086	3.6927	2.4682	1.4513		1.4513	2.4682	2.8499	4.1134	4.5086	3.6927	4.1134
C54	4.6112	5.4828	6.1323	5.7852	4.8341	4.1134	4.5086	5.4828	6.0624	6.6556	6.9486	6.6989	6.6989	6.1323	5.4828	4.6112	4.8342	5.7852	6.0624	6.6556	6.9486	7.0985	6.9594	6.6556	6.5013	5.7852	5.1981	4.1134	3.6927	2.4682	1.4513	2.3482	3.5755	4.5086	5.3969	6.1323	6.1323	6.6556	6.5013	5.7852	5.4828	4.5086	4.1134	2.8499	2.4682	3.6927	4.1134	5.1981	5.3969	4.5086	3.5755	2.3482	1.4513		1.3986	2.4682	3.5755	3.5755	2.4682	2.8499
C55	3.5755	4.5086	5.3969	5.1981	4.1134	3.6927	4.5086	5.4828	5.7852	6.5013	6.6556	6.1323	6.1323	5.3969	4.5086	3.5755	4.1134	5.1981	5.7852	6.5013	6.6556	6.9594	7.0985	6.9486	6.6556	6.0624	5.7852	4.8341	4.1134	2.8499	2.4682	3.5755	4.6112	5.4828	6.1323	6.6989	6.6989	6.9486	6.6556	6.0624	5.4828	4.5086	3.6927	2.4682	2.8499	4.1134	4.8341	5.7852	6.1323	5.4828	4.6112	3.5755	2.4682	1.3986		1.4513	2.3482	2.3482	1.4513	2.4682
C56	3.5755	4.1134	5.1981	5.3969	4.5086	4.5086	5.3969	6.1323	6.1323	6.6556	6.5013	5.7852	5.4828	4.5086	3.6927	2.4682	2.8499	4.1134	4.8341	5.7852	6.0624	6.6556	6.9486	7.0985	6.9594	6.6556	6.5013	5.7852	5.1981	4.1134	3.6927	4.5086	5.4828	6.0624	6.6556	6.9486	6.6989	6.6989	6.1323	5.4828	4.6112	3.5755	2.4682	1.3986	2.4682	3.5755	4.6112	5.4828	6.1323	5.7852	4.8341	4.1134	2.8499	2.4682	1.4513		1.4513	2.3482	2.3482	3.5755
C57	2.4682	2.8499	4.1134	4.5086	3.6927	4.1134	5.1981	5.7852	5.4828	6.0624	5.7852	4.8341	4.6112	3.5755	2.4682	1.3986	2.4682	3.5755	4.6112	5.4828	5.4828	6.1323	6.6989	6.9486	6.6556	6.5013	6.6556	6.1323	5.3969	4.5086	4.5086	5.3969	6.1323	6.6556	6.9594	7.0985	6.9486	6.6989	6.1323	5.7852	4.8341	4.1134	2.8499	2.4682	3.6927	4.5086	5.4828	6.0624	6.6556	6.5013	5.7852	5.1981	4.1134	3.5755	2.3482	1.4513		1.4513	2.3482	3.5755
C58	1.3986	2.4682	3.5755	3.5755	2.4682	2.8499	4.1134	4.8341	4.6112	5.4828	5.4828	4.6112	4.8341	4.1134	2.8499	2.4682	3.6927	4.5086	5.4828	6.0624	5.7852	6.1323	6.6989	6.6989	6.1323	5.7852	6.0624	5.4828	4.5086	3.6927	4.1134	5.1981	5.7852	6.5013	6.6556	6.9486	7.0985	6.9486	6.6556	6.5013	5.7852	5.1981	4.1134	3.5755	4.5086	5.3969	6.1323	6.6556	6.9594	6.6556	6.1323	5.3969	4.5086	3.5755	2.3482	2.3482	1.4513		1.4513	2.4682
C59	2.4682	3.6927	4.5086	4.1134	2.8499	2.4682	3.5755	4.6112	4.8341	5.7852	6.0624	5.4828	5.7852	5.1981	4.1134	3.5755	4.5086	5.3969	6.1323	6.6556	6.5013	6.6556	6.9486	6.6989	6.1323	5.4828	5.4828	4.6112	3.5755	2.4682	2.8499	4.1134	4.8341	5.7852	6.1323	6.6989	6.9486	7.0985	6.9594	6.6556	6.1323	5.3969	4.5086	3.5755	4.1134	5.1981	5.7852	6.5013	6.6556	6.0624	5.4828	4.5086	3.6927	2.4682	1.4513	2.3482	2.3482	1.4513		1.3986
C60	2.8499	4.1134	4.5086	3.6927	2.4682	1.4513	2.3482	3.5755	4.1134	5.1981	5.7852	5.4828	6.0624	5.7852	4.8341	4.6112	5.4828	6.1323	6.6989	6.9486	6.6556	6.5013	6.6556	6.1323	5.3969	4.5086	4.5086	3.5755	2.3482	1.4513	2.4682	3.6927	4.1134	5.1981	5.3969	6.1323	6.6556	6.9594	7.0985	6.9486	6.6989	6.1323	5.4828	4.6112	4.8342	5.7852	6.0624	6.6556	6.5013	5.7852	5.4828	4.5086	4.1134	2.8499	2.4682	3.5755	3.5755	2.4682	1.3986

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 B2PLYP/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 -327.479 0.000 0.000 y 0.000 -327.477 0.000 z 0.000 0.000 -327.475

Traceless   x y z x -0.003 0.000 0.000 y 0.000 -0.000 0.000 z 0.000 0.000 0.003

Polar 3z2-r2 0.005 x2-y2 -0.002 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	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²> (average value of r²) Ų

<r2>	4739.529
(<r2>)1/2	68.844