All results from a given calculation for C₆₀ (Buckminsterfullerene)

Energy calculated at B1B95/6-31G**

	hartrees
Energy at 0K	-2285.494081
Energy at 298.15K	-2285.492964
HF Energy	-2285.494081
Nuclear repulsion energy	8379.164094

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 B1B95/6-31G**

Mode Number	Symmetry	Frequency (cm-1)	Scaled Frequency (cm-1)	IR Intensities (km mol-1)	Raman Act (Å4/u)	Dep P	Dep U
1	Ag	1557	1487	0.00
2	Ag	507	484	0.00
3	Au	959	915	0.00
4	T1g	1338	1278	0.00
4	T1g	1338	1278	0.00
4	T1g	1338	1278	0.00
5	T1g	840	802	0.00
5	T1g	840	802	0.00
5	T1g	840	802	0.00
6	T1g	572	546	0.00
6	T1g	572	546	0.00
6	T1g	572	546	0.00
7	T1u	1514	1446	13.43
7	T1u	1514	1446	13.43
7	T1u	1514	1446	13.43
8	T1u	1255	1198	10.07
8	T1u	1255	1198	10.08
8	T1u	1255	1198	10.07
9	T1u	602	575	10.58
9	T1u	602	575	10.58
9	T1u	602	575	10.58
10	T1u	538	513	29.39
10	T1u	538	513	29.39
10	T1u	538	513	29.39
11	T2g	1419	1355	0.00
11	T2g	1419	1355	0.00
11	T2g	1419	1355	0.00
12	T2g	810	773	0.00
12	T2g	810	773	0.00
12	T2g	810	773	0.00
13	T2g	724	691	0.00
13	T2g	724	691	0.00
13	T2g	724	691	0.00
14	T2g	565	539	0.00
14	T2g	565	539	0.00
14	T2g	565	539	0.00
15	T2u	1610	1537	0.00
15	T2u	1610	1537	0.00
15	T2u	1610	1537	0.00
16	T2u	1242	1186	0.00
16	T2u	1242	1186	0.00
16	T2u	1242	1186	0.00
17	T2u	1004	959	0.00
17	T2u	1004	959	0.00
17	T2u	1004	959	0.00
18	T2u	722	689	0.00
18	T2u	722	689	0.00
81	T2u	722	689	0.00
19	T2u	345	329	0.00
19	T2u	345	329	0.00
19	T2u	345	329	0.00
20	Gg	1585	1514	0.00
20	Gg	1585	1514	0.00
20	Gg	1585	1514	0.00
20	Gg	1585	1514	0.00
21	Gg	1366	1304	0.00
21	Gg	1366	1304	0.00
21	Gg	1366	1304	0.00
21	Gg	1366	1304	0.00
22	Gg	1130	1079	0.00
22	Gg	1130	1079	0.00
22	Gg	1130	1079	0.00
22	Gg	1130	1079	0.00
23	Gg	753	719	0.00
23	Gg	753	719	0.00
23	Gg	753	719	0.00
23	Gg	753	719	0.00
24	Gg	581	555	0.00
24	Gg	581	555	0.00
24	Gg	581	555	0.00
24	Gg	581	555	0.00
25	Gg	493	470	0.00
25	Gg	493	470	0.00
25	Gg	493	470	0.00
25	Gg	493	470	0.00
26	Gu	1517	1448	0.00
26	Gu	1517	1448	0.00
26	Gu	1517	1448	0.00
26	Gu	1517	1448	0.00
27	Gu	1383	1320	0.00
27	Gu	1383	1320	0.00
27	Gu	1383	1320	0.00
27	Gu	1383	1320	0.00
28	Gu	1006	960	0.00
28	Gu	1006	960	0.00
28	Gu	1006	960	0.00
28	Gu	1006	960	0.00
29	Gu	770	735	0.00
29	Gu	770	735	0.00
29	Gu	770	735	0.00
29	Gu	770	735	0.00
30	Gu	742	709	0.00
30	Gu	742	709	0.00
30	Gu	742	709	0.00
30	Gu	742	709	0.00
31	Gu	358	342	0.00
31	Gu	358	342	0.00
31	Gu	358	342	0.00
31	Gu	358	342	0.00
32	Hg	1663	1587	0.00
32	Hg	1663	1587	0.00
32	Hg	1663	1587	0.00
32	Hg	1663	1587	0.00
32	Hg	1663	1587	0.00
33	Hg	1508	1440	0.00
33	Hg	1508	1440	0.00
33	Hg	1508	1440	0.00
33	Hg	1508	1440	0.00
33	Hg	1508	1440	0.00
34	Hg	1329	1269	0.00
34	Hg	1329	1269	0.00
34	Hg	1329	1269	0.00
34	Hg	1329	1269	0.00
34	Hg	1329	1269	0.00
35	Hg	1155	1103	0.00
35	Hg	1155	1103	0.00
35	Hg	1155	1103	0.00
35	Hg	1155	1103	0.00
35	Hg	1155	1103	0.00
36	Hg	806	769	0.00
36	Hg	806	769	0.00
36	Hg	806	769	0.00
36	Hg	806	769	0.00
36	Hg	806	769	0.00
37	Hg	718	686	0.00
37	Hg	718	686	0.00
37	Hg	718	686	0.00
37	Hg	718	686	0.00
37	Hg	718	686	0.00
38	Hg	438	418	0.00
38	Hg	438	418	0.00
38	Hg	438	418	0.00
38	Hg	438	418	0.00
38	Hg	438	418	0.00
39	Hg	267	255	0.00
39	Hg	267	255	0.00
39	Hg	267	255	0.00
39	Hg	267	255	0.00
39	Hg	267	255	0.00
40	Hu	1655	1580	0.00
40	Hu	1655	1580	0.00
40	Hu	1655	1580	0.00
40	Hu	1655	1580	0.00
40	Hu	1655	1580	0.00
41	Hu	1412	1349	0.00
41	Hu	1412	1349	0.00
41	Hu	1412	1349	0.00
41	Hu	1412	1349	0.00
41	Hu	1412	1349	0.00
42	Hu	1280	1222	0.00
42	Hu	1280	1222	0.00
42	Hu	1280	1222	0.00
42	Hu	1280	1222	0.00
42	Hu	1280	1222	0.00
43	Hu	742	708	0.00
43	Hu	742	708	0.00
43	Hu	742	708	0.00
43	Hu	742	708	0.00
43	Hu	742	708	0.00
44	Hu	678	647	0.00
44	Hu	678	647	0.00
44	Hu	678	647	0.00
44	Hu	678	647	0.00
44	Hu	678	647	0.00
45	Hu	544	519	0.00
45	Hu	544	519	0.00
45	Hu	544	519	0.00
45	Hu	544	519	0.00
45	Hu	544	519	0.00
46	Hu	413	395	0.00
46	Hu	413	395	0.00
46	Hu	413	395	0.00
46	Hu	413	395	0.00
46	Hu	413	395	0.00

Unscaled Zero Point Vibrational Energy (zpe) 84036.8 cm^-1
Scaled (by 0.9548) Zero Point Vibrational Energy (zpe) 80238.4 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 B1B95/6-31G**

A	B	C
0.00282	0.00282	0.00282

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

Geometric Data calculated at B1B95/6-31G**

Point Group is I_h

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.228	3.307
C2	-1.168	0.379	3.307
C3	-0.722	-0.994	3.307
C4	0.722	-0.994	3.307
C5	1.168	0.379	3.307
C6	2.291	0.744	2.577
C7	3.013	-0.249	1.818
C8	2.584	-1.569	1.818
C9	1.416	-1.949	2.577
C10	0.694	-2.942	1.818
C11	-0.694	-2.942	1.818
C12	-1.416	-1.949	2.577
C13	-2.584	-1.569	1.818
C14	-3.013	-0.249	1.818
C15	-2.291	0.744	2.577
C16	-2.291	1.972	1.818
C17	-3.013	1.738	0.590
C18	-3.459	0.365	0.590
C19	-3.459	-0.365	-0.590
C20	-3.013	-1.738	-0.590
C21	-2.584	-2.328	0.590
C22	-1.416	-3.177	0.590
C23	-0.722	-3.402	-0.590
C24	0.722	-3.402	-0.590
C25	1.416	-3.177	0.590
C26	2.584	-2.328	0.590
C27	3.013	-1.738	-0.590
C28	3.459	-0.365	-0.590
C29	3.459	0.365	0.590
C30	3.013	1.738	0.590
C31	2.584	2.328	-0.590
C32	2.584	1.569	-1.818
C33	3.013	0.249	-1.818
C34	2.291	-0.744	-2.577
C35	2.291	-1.972	-1.818
C36	1.168	-2.788	-1.818
C37	0.000	-2.409	-2.577
C38	-1.168	-2.788	-1.818
C39	-2.291	-1.972	-1.818
C40	-2.291	-0.744	-2.577
C41	-3.013	0.249	-1.818
C42	-2.584	1.569	-1.818
C43	-2.584	2.328	-0.590
C44	-1.416	3.177	-0.590
C45	-0.694	2.942	-1.818
C46	-1.416	1.949	-2.577
C47	-0.722	0.994	-3.307
C48	-1.168	-0.379	-3.307
C49	0.000	-1.228	-3.307
C50	1.168	-0.379	-3.307
C51	0.722	0.994	-3.307
C52	1.416	1.949	-2.577
C53	0.694	2.942	-1.818
C54	1.416	3.177	-0.590
C55	0.722	3.402	0.590
C56	-0.722	3.402	0.590
C57	-1.168	2.788	1.818
C58	0.000	2.409	2.577
C59	1.168	2.788	1.818
C60	2.291	1.972	1.818

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		1.4437	2.3359	2.3359	1.4437	2.4525	3.6708	4.0887	3.5538	4.4821	4.4821	3.5538	4.0887	3.6708	2.4525	2.8317	4.0887	4.4821	5.4490	5.7501	5.1676	5.3655	6.0952	6.0952	5.3655	5.1676	5.7501	5.4490	4.4821	4.0887	4.8038	5.7501	6.0254	6.6156	6.4624	6.6156	6.9177	6.6156	6.4624	6.6156	6.0254	5.7501	4.8038	4.5818	5.4490	6.0952	6.6576	6.9063	7.0555	6.9063	6.6576	6.0952	5.4490	4.5818	3.5538	3.5538	2.4525	1.3880	2.4525	2.8317
C2	1.4437		1.4437	2.3359	2.3359	3.5538	4.4821	4.4821	3.5538	4.0887	3.6708	2.4525	2.8317	2.4525	1.3880	2.4525	3.5538	3.5538	4.5818	4.8038	4.0887	4.4821	5.4490	5.7501	5.1676	5.3655	6.0952	6.0952	5.3655	5.1676	5.7501	6.4624	6.6156	6.9177	6.6156	6.4624	6.6156	6.0254	5.7501	6.0952	5.4490	5.4490	4.5818	4.8038	5.7501	6.0952	6.6576	6.6576	6.9063	7.0555	6.9063	6.6156	6.0254	5.4490	4.4821	4.0887	2.8317	2.4525	3.6708	4.0887
C3	2.3359	1.4437		1.4437	2.3359	3.5538	4.0887	3.6708	2.4525	2.8317	2.4525	1.3880	2.4525	2.8317	2.4525	3.6708	4.4821	4.0887	4.8038	4.5818	3.5538	3.5538	4.5818	4.8038	4.0887	4.4821	5.4490	5.7501	5.1676	5.3655	6.0952	6.6156	6.4624	6.6156	6.0254	5.7501	6.0952	5.4490	5.4490	6.0952	5.7501	6.0254	5.4490	5.7501	6.4624	6.6156	6.9063	6.6576	6.6576	6.9063	7.0555	6.9177	6.6156	6.0952	5.3655	5.1676	4.0887	3.5538	4.4821	4.4821
C4	2.3359	2.3359	1.4437		1.4437	2.4525	2.8317	2.4525	1.3880	2.4525	2.8317	2.4525	3.6708	4.0887	3.5538	4.4821	5.3655	5.1676	5.7501	5.4490	4.4821	4.0887	4.8038	4.5818	3.5538	3.5538	4.5818	4.8038	4.0887	4.4821	5.4490	6.0254	5.7501	6.0952	5.4490	5.4490	6.0952	5.7501	6.0254	6.6156	6.4624	6.6156	6.0952	6.0952	6.6156	6.9177	7.0555	6.9063	6.6576	6.6576	6.9063	6.6156	6.4624	5.7501	5.1676	5.3655	4.4821	3.5538	4.0887	3.6708
C5	1.4437	2.3359	2.3359	1.4437		1.3880	2.4525	2.8317	2.4525	3.6708	4.0887	3.5538	4.4821	4.4821	3.5538	4.0887	5.1676	5.3655	6.0952	6.0952	5.3655	5.1676	5.7501	5.4490	4.4821	4.0887	4.8038	4.5818	3.5538	3.5538	4.5818	5.4490	5.4490	6.0952	5.7501	6.0254	6.6156	6.4624	6.6156	6.9177	6.6156	6.4624	5.7501	5.4490	6.0254	6.6156	6.9063	7.0555	6.9063	6.6576	6.6576	6.0952	5.7501	4.8038	4.0887	4.4821	3.6708	2.4525	2.8317	2.4525
C6	2.4525	3.5538	3.5538	2.4525	1.3880		1.4437	2.4525	2.8317	4.0887	4.8038	4.5818	5.4490	5.4490	4.5818	4.8038	5.7501	6.0952	6.6576	6.6576	6.0952	5.7501	6.0254	5.4490	4.4821	3.6708	4.0887	3.5538	2.3359	2.3359	3.5538	4.4821	4.4821	5.3655	5.1676	5.7501	6.4624	6.6156	6.9063	7.0555	6.9063	6.6156	6.0254	5.4490	5.7501	6.4624	6.6156	6.9177	6.6156	6.0952	6.0952	5.3655	5.1676	4.0887	3.6708	4.4821	4.0887	2.8317	2.4525	1.4437
C7	3.6708	4.4821	4.0887	2.8317	2.4525	1.4437		1.3880	2.4525	3.5538	4.5818	4.8038	5.7501	6.0254	5.4490	5.7501	6.4624	6.6156	6.9063	6.6576	6.0952	5.4490	5.4490	4.5818	3.5538	2.4525	2.8317	2.4525	1.4437	2.3359	3.5538	4.0887	3.6708	4.4821	4.0887	4.8038	5.7501	6.0952	6.6576	6.9063	7.0555	6.9177	6.6156	6.0952	6.0952	6.6156	6.4624	6.6156	6.0254	5.4490	5.7501	5.1676	5.3655	4.4821	4.4821	5.3655	5.1676	4.0887	3.5538	2.3359
C8	4.0887	4.4821	3.6708	2.4525	2.8317	2.4525	1.3880		1.4437	2.3359	3.5538	4.0887	5.1676	5.7501	5.4490	6.0254	6.6156	6.4624	6.6156	6.0952	5.3655	4.4821	4.4821	3.5538	2.3359	1.4437	2.4525	2.8317	2.4525	3.5538	4.5818	4.8038	4.0887	4.4821	3.6708	4.0887	5.1676	5.3655	6.0952	6.6156	6.9177	7.0555	6.9063	6.6576	6.6576	6.9063	6.6156	6.4624	5.7501	5.4490	6.0254	5.7501	6.0952	5.4490	5.4490	6.0952	5.7501	4.8038	4.5818	3.5538
C9	3.5538	3.5538	2.4525	1.3880	2.4525	2.8317	2.4525	1.4437		1.4437	2.4525	2.8317	4.0887	4.8038	4.5818	5.4490	6.0952	5.7501	6.0254	5.4490	4.4821	3.6708	4.0887	3.5538	2.3359	2.3359	3.5538	4.0887	3.6708	4.4821	5.4490	5.7501	5.1676	5.3655	4.4821	4.4821	5.3655	5.1676	5.7501	6.4624	6.6156	6.9063	6.6576	6.6576	6.9063	7.0555	6.9177	6.6156	6.0952	6.0952	6.6156	6.4624	6.6156	6.0254	5.7501	6.0952	5.4490	4.5818	4.8038	4.0887
C10	4.4821	4.0887	2.8317	2.4525	3.6708	4.0887	3.5538	2.3359	1.4437		1.3880	2.4525	3.5538	4.5818	4.8038	5.7501	6.0952	5.4490	5.4490	4.5818	3.5538	2.4525	2.8317	2.4525	1.4437	2.3359	3.5538	4.4821	4.4821	5.3655	6.0952	6.0952	5.3655	5.1676	4.0887	3.6708	4.4821	4.0887	4.8038	5.7501	6.0952	6.6576	6.6576	6.9063	7.0555	6.9063	6.6156	6.0254	5.4490	5.7501	6.4624	6.6156	6.9177	6.6156	6.4624	6.6156	6.0254	5.4490	5.7501	5.1676
C11	4.4821	3.6708	2.4525	2.8317	4.0887	4.8038	4.5818	3.5538	2.4525	1.3880		1.4437	2.3359	3.5538	4.0887	5.1676	5.3655	4.4821	4.4821	3.5538	2.3359	1.4437	2.4525	2.8317	2.4525	3.5538	4.5818	5.4490	5.4490	6.0952	6.6576	6.6576	6.0952	5.7501	4.8038	4.0887	4.4821	3.6708	4.0887	5.1676	5.3655	6.0952	6.0952	6.6156	6.9177	6.6156	6.4624	5.7501	5.4490	6.0254	6.6156	6.9063	7.0555	6.9063	6.6156	6.4624	5.7501	5.4490	6.0254	5.7501
C12	3.5538	2.4525	1.3880	2.4525	3.5538	4.5818	4.8038	4.0887	2.8317	2.4525	1.4437		1.4437	2.4525	2.8317	4.0887	4.4821	3.6708	4.0887	3.5538	2.3359	2.3359	3.5538	4.0887	3.6708	4.4821	5.4490	6.0254	5.7501	6.0952	6.6576	6.9063	6.6156	6.4624	5.7501	5.1676	5.3655	4.4821	4.4821	5.3655	5.1676	5.7501	5.4490	6.0254	6.6156	6.4624	6.6156	6.0952	6.0952	6.6156	6.9177	7.0555	6.9063	6.6576	6.0952	5.7501	4.8038	4.5818	5.4490	5.4490
C13	4.0887	2.8317	2.4525	3.6708	4.4821	5.4490	5.7501	5.1676	4.0887	3.5538	2.3359	1.4437		1.3880	2.4525	3.5538	3.5538	2.4525	2.8317	2.4525	1.4437	2.3359	3.5538	4.4821	4.4821	5.3655	6.0952	6.6156	6.4624	6.6156	6.9063	7.0555	6.9177	6.6156	6.0952	5.3655	5.1676	4.0887	3.6708	4.4821	4.0887	4.8038	4.5818	5.4490	6.0952	5.7501	6.0254	5.4490	5.7501	6.4624	6.6156	6.9063	6.6576	6.6576	6.0952	5.4490	4.5818	4.8038	5.7501	6.0254
C14	3.6708	2.4525	2.8317	4.0887	4.4821	5.4490	6.0254	5.7501	4.8038	4.5818	3.5538	2.4525	1.3880		1.4437	2.3359	2.3359	1.4437	2.4525	2.8317	2.4525	3.5538	4.5818	5.4490	5.4490	6.0952	6.6576	6.9063	6.6156	6.4624	6.6156	6.9177	7.0555	6.9063	6.6576	6.0952	5.7501	4.8038	4.0887	4.4821	3.6708	4.0887	3.5538	4.4821	5.3655	5.1676	5.7501	5.4490	6.0254	6.6156	6.4624	6.6156	6.0952	6.0952	5.3655	4.4821	3.5538	4.0887	5.1676	5.7501
C15	2.4525	1.3880	2.4525	3.5538	3.5538	4.5818	5.4490	5.4490	4.5818	4.8038	4.0887	2.8317	2.4525	1.4437		1.4437	2.3359	2.3359	3.5538	4.0887	3.6708	4.4821	5.4490	6.0254	5.7501	6.0952	6.6576	6.6576	6.0952	5.7501	6.0254	6.6156	6.9063	7.0555	6.9063	6.6156	6.4624	5.7501	5.1676	5.3655	4.4821	4.4821	3.5538	4.0887	5.1676	5.3655	6.0952	6.0952	6.6156	6.9177	6.6156	6.4624	5.7501	5.4490	4.4821	3.6708	2.4525	2.8317	4.0887	4.8038
C16	2.8317	2.4525	3.6708	4.4821	4.0887	4.8038	5.7501	6.0254	5.4490	5.7501	5.1676	4.0887	3.5538	2.3359	1.4437		1.4437	2.3359	3.5538	4.4821	4.4821	5.3655	6.0952	6.6156	6.4624	6.6156	6.9063	6.6576	6.0952	5.4490	5.4490	6.0952	6.6576	6.9063	7.0555	6.9177	6.6156	6.0952	5.3655	5.1676	4.0887	3.6708	2.4525	2.8317	4.0887	4.4821	5.4490	5.7501	6.4624	6.6156	6.0254	5.7501	4.8038	4.5818	3.5538	2.4525	1.3880	2.4525	3.5538	4.5818
C17	4.0887	3.5538	4.4821	5.3655	5.1676	5.7501	6.4624	6.6156	6.0952	6.0952	5.3655	4.4821	3.5538	2.3359	2.3359	1.4437		1.4437	2.4525	3.6708	4.0887	5.1676	5.7501	6.4624	6.6156	6.9177	7.0555	6.9063	6.6156	6.0254	5.7501	6.0952	6.6576	6.6576	6.9063	6.6156	6.0254	5.4490	4.4821	4.0887	2.8317	2.4525	1.3880	2.4525	3.5538	3.5538	4.5818	4.8038	5.7501	6.0952	5.4490	5.4490	4.5818	4.8038	4.0887	2.8317	2.4525	3.6708	4.4821	5.4490
C18	4.4821	3.5538	4.0887	5.1676	5.3655	6.0952	6.6156	6.4624	5.7501	5.4490	4.4821	3.6708	2.4525	1.4437	2.3359	2.3359	1.4437		1.3880	2.4525	2.8317	4.0887	4.8038	5.7501	6.0254	6.6156	6.9063	7.0555	6.9177	6.6156	6.4624	6.6156	6.9063	6.6576	6.6576	6.0952	5.4490	4.5818	3.5538	3.5538	2.4525	2.8317	2.4525	3.6708	4.4821	4.0887	4.8038	4.5818	5.4490	6.0952	5.7501	6.0254	5.4490	5.7501	5.1676	4.0887	3.5538	4.4821	5.3655	6.0952
C19	5.4490	4.5818	4.8038	5.7501	6.0952	6.6576	6.9063	6.6156	6.0254	5.4490	4.4821	4.0887	2.8317	2.4525	3.5538	3.5538	2.4525	1.3880		1.4437	2.4525	3.6708	4.0887	5.1676	5.7501	6.4624	6.6156	6.9177	7.0555	6.9063	6.6156	6.4624	6.6156	6.0952	6.0952	5.3655	4.4821	3.5538	2.3359	2.3359	1.4437	2.4525	2.8317	4.0887	4.4821	3.6708	4.0887	3.5538	4.4821	5.3655	5.1676	5.7501	5.4490	6.0254	5.7501	4.8038	4.5818	5.4490	6.0952	6.6576
C20	5.7501	4.8038	4.5818	5.4490	6.0952	6.6576	6.6576	6.0952	5.4490	4.5818	3.5538	3.5538	2.4525	2.8317	4.0887	4.4821	3.6708	2.4525	1.4437		1.3880	2.4525	2.8317	4.0887	4.8038	5.7501	6.0254	6.6156	6.9063	7.0555	6.9177	6.6156	6.4624	5.7501	5.4490	4.4821	3.6708	2.4525	1.4437	2.3359	2.3359	3.5538	4.0887	5.1676	5.3655	4.4821	4.4821	3.5538	4.0887	5.1676	5.3655	6.0952	6.0952	6.6156	6.4624	5.7501	5.4490	6.0254	6.6156	6.9063
C21	5.1676	4.0887	3.5538	4.4821	5.3655	6.0952	6.0952	5.3655	4.4821	3.5538	2.3359	2.3359	1.4437	2.4525	3.6708	4.4821	4.0887	2.8317	2.4525	1.3880		1.4437	2.4525	3.6708	4.0887	5.1676	5.7501	6.4624	6.6156	6.9177	7.0555	6.9063	6.6156	6.0254	5.4490	4.4821	4.0887	2.8317	2.4525	3.5538	3.5538	4.5818	4.8038	5.7501	6.0952	5.4490	5.4490	4.5818	4.8038	5.7501	6.0952	6.6576	6.6576	6.9063	6.6156	6.0254	5.4490	5.7501	6.4624	6.6156
C22	5.3655	4.4821	3.5538	4.0887	5.1676	5.7501	5.4490	4.4821	3.6708	2.4525	1.4437	2.3359	2.3359	3.5538	4.4821	5.3655	5.1676	4.0887	3.6708	2.4525	1.4437		1.3880	2.4525	2.8317	4.0887	4.8038	5.7501	6.0254	6.6156	6.9063	6.6576	6.0952	5.4490	4.5818	3.5538	3.5538	2.4525	2.8317	4.0887	4.4821	5.4490	5.7501	6.4624	6.6156	6.0254	5.7501	4.8038	4.5818	5.4490	6.0952	6.6576	6.9063	7.0555	6.9177	6.6156	6.0952	6.0952	6.6156	6.4624
C23	6.0952	5.4490	4.5818	4.8038	5.7501	6.0254	5.4490	4.4821	4.0887	2.8317	2.4525	3.5538	3.5538	4.5818	5.4490	6.0952	5.7501	4.8038	4.0887	2.8317	2.4525	1.3880		1.4437	2.4525	3.6708	4.0887	5.1676	5.7501	6.4624	6.6156	6.0952	5.3655	4.4821	3.5538	2.3359	2.3359	1.4437	2.4525	3.6708	4.4821	5.4490	6.0254	6.6156	6.4624	5.7501	5.1676	4.0887	3.5538	4.4821	5.3655	6.0952	6.6156	6.9177	7.0555	6.9063	6.6576	6.6576	6.9063	6.6156
C24	6.0952	5.7501	4.8038	4.5818	5.4490	5.4490	4.5818	3.5538	3.5538	2.4525	2.8317	4.0887	4.4821	5.4490	6.0254	6.6156	6.4624	5.7501	5.1676	4.0887	3.6708	2.4525	1.4437		1.3880	2.4525	2.8317	4.0887	4.8038	5.7501	6.0254	5.4490	4.4821	3.6708	2.4525	1.4437	2.3359	2.3359	3.5538	4.4821	5.3655	6.0952	6.6156	6.9177	6.6156	6.0952	5.3655	4.4821	3.5538	4.0887	5.1676	5.7501	6.4624	6.6156	6.9063	7.0555	6.9063	6.6576	6.6576	6.0952
C25	5.3655	5.1676	4.0887	3.5538	4.4821	4.4821	3.5538	2.3359	2.3359	1.4437	2.4525	3.6708	4.4821	5.4490	5.7501	6.4624	6.6156	6.0254	5.7501	4.8038	4.0887	2.8317	2.4525	1.3880		1.4437	2.4525	3.6708	4.0887	5.1676	5.7501	5.4490	4.4821	4.0887	2.8317	2.4525	3.5538	3.5538	4.5818	5.4490	6.0952	6.6576	6.9063	7.0555	6.9063	6.6576	6.0952	5.4490	4.5818	4.8038	5.7501	6.0254	6.6156	6.4624	6.6156	6.9177	6.6156	6.0952	6.0952	5.3655
C26	5.1676	5.3655	4.4821	3.5538	4.0887	3.6708	2.4525	1.4437	2.3359	2.3359	3.5538	4.4821	5.3655	6.0952	6.0952	6.6156	6.9177	6.6156	6.4624	5.7501	5.1676	4.0887	3.6708	2.4525	1.4437		1.3880	2.4525	2.8317	4.0887	4.8038	4.5818	3.5538	3.5538	2.4525	2.8317	4.0887	4.4821	5.4490	6.0254	6.6156	6.9063	7.0555	6.9063	6.6576	6.6576	6.0952	5.7501	4.8038	4.5818	5.4490	5.4490	6.0952	5.7501	6.0254	6.6156	6.4624	5.7501	5.4490	4.4821
C27	5.7501	6.0952	5.4490	4.5818	4.8038	4.0887	2.8317	2.4525	3.5538	3.5538	4.5818	5.4490	6.0952	6.6576	6.6576	6.9063	7.0555	6.9063	6.6156	6.0254	5.7501	4.8038	4.0887	2.8317	2.4525	1.3880		1.4437	2.4525	3.6708	4.0887	3.5538	2.3359	2.3359	1.4437	2.4525	3.6708	4.4821	5.4490	5.7501	6.4624	6.6156	6.9177	6.6156	6.0952	6.0952	5.3655	5.1676	4.0887	3.5538	4.4821	4.4821	5.3655	5.1676	5.7501	6.4624	6.6156	6.0254	5.4490	4.4821
C28	5.4490	6.0952	5.7501	4.8038	4.5818	3.5538	2.4525	2.8317	4.0887	4.4821	5.4490	6.0254	6.6156	6.9063	6.6576	6.6576	6.9063	7.0555	6.9177	6.6156	6.4624	5.7501	5.1676	4.0887	3.6708	2.4525	1.4437		1.3880	2.4525	2.8317	2.4525	1.4437	2.3359	2.3359	3.5538	4.4821	5.3655	6.0952	6.0952	6.6156	6.4624	6.6156	6.0254	5.4490	5.7501	5.1676	5.3655	4.4821	3.5538	4.0887	3.6708	4.4821	4.0887	4.8038	5.7501	6.0952	5.4490	4.5818	3.5538
C29	4.4821	5.3655	5.1676	4.0887	3.5538	2.3359	1.4437	2.4525	3.6708	4.4821	5.4490	5.7501	6.4624	6.6156	6.0952	6.0952	6.6156	6.9177	7.0555	6.9063	6.6156	6.0254	5.7501	4.8038	4.0887	2.8317	2.4525	1.3880		1.4437	2.4525	2.8317	2.4525	3.5538	3.5538	4.5818	5.4490	6.0952	6.6576	6.6576	6.9063	6.6156	6.4624	5.7501	5.4490	6.0254	5.7501	6.0952	5.4490	4.5818	4.8038	4.0887	4.4821	3.6708	4.0887	5.1676	5.3655	4.4821	3.5538	2.3359
C30	4.0887	5.1676	5.3655	4.4821	3.5538	2.3359	2.3359	3.5538	4.4821	5.3655	6.0952	6.0952	6.6156	6.4624	5.7501	5.4490	6.0254	6.6156	6.9063	7.0555	6.9177	6.6156	6.4624	5.7501	5.1676	4.0887	3.6708	2.4525	1.4437		1.3880	2.4525	2.8317	4.0887	4.4821	5.4490	6.0254	6.6156	6.9063	6.6576	6.6576	6.0952	5.7501	4.8038	4.5818	5.4490	5.4490	6.0952	5.7501	4.8038	4.5818	3.5538	3.5538	2.4525	2.8317	4.0887	4.4821	3.6708	2.4525	1.4437
C31	4.8038	5.7501	6.0952	5.4490	4.5818	3.5538	3.5538	4.5818	5.4490	6.0952	6.6576	6.6576	6.9063	6.6156	6.0254	5.4490	5.7501	6.4624	6.6156	6.9177	7.0555	6.9063	6.6156	6.0254	5.7501	4.8038	4.0887	2.8317	2.4525	1.3880		1.4437	2.4525	3.6708	4.4821	5.4490	5.7501	6.4624	6.6156	6.0952	6.0952	5.3655	5.1676	4.0887	3.5538	4.4821	4.4821	5.3655	5.1676	4.0887	3.5538	2.3359	2.3359	1.4437	2.4525	3.6708	4.4821	4.0887	2.8317	2.4525
C32	5.7501	6.4624	6.6156	6.0254	5.4490	4.4821	4.0887	4.8038	5.7501	6.0952	6.6576	6.9063	7.0555	6.9177	6.6156	6.0952	6.0952	6.6156	6.4624	6.6156	6.9063	6.6576	6.0952	5.4490	5.4490	4.5818	3.5538	2.4525	2.8317	2.4525	1.4437		1.3880	2.4525	3.5538	4.5818	4.8038	5.7501	6.0254	5.4490	5.7501	5.1676	5.3655	4.4821	3.5538	4.0887	3.6708	4.4821	4.0887	2.8317	2.4525	1.4437	2.3359	2.3359	3.5538	4.4821	5.3655	5.1676	4.0887	3.6708
C33	6.0254	6.6156	6.4624	5.7501	5.4490	4.4821	3.6708	4.0887	5.1676	5.3655	6.0952	6.6156	6.9177	7.0555	6.9063	6.6576	6.6576	6.9063	6.6156	6.4624	6.6156	6.0952	5.3655	4.4821	4.4821	3.5538	2.3359	1.4437	2.4525	2.8317	2.4525	1.3880		1.4437	2.3359	3.5538	4.0887	5.1676	5.7501	5.4490	6.0254	5.7501	6.0952	5.4490	4.5818	4.8038	4.0887	4.4821	3.6708	2.4525	2.8317	2.4525	3.5538	3.5538	4.5818	5.4490	6.0952	5.7501	4.8038	4.0887
C34	6.6156	6.9177	6.6156	6.0952	6.0952	5.3655	4.4821	4.4821	5.3655	5.1676	5.7501	6.4624	6.6156	6.9063	7.0555	6.9063	6.6576	6.6576	6.0952	5.7501	6.0254	5.4490	4.4821	3.6708	4.0887	3.5538	2.3359	2.3359	3.5538	4.0887	3.6708	2.4525	1.4437		1.4437	2.4525	2.8317	4.0887	4.8038	4.5818	5.4490	5.4490	6.0952	5.7501	4.8038	4.5818	3.5538	3.5538	2.4525	1.3880	2.4525	2.8317	4.0887	4.4821	5.4490	6.0254	6.6156	6.4624	5.7501	5.1676
C35	6.4624	6.6156	6.0254	5.4490	5.7501	5.1676	4.0887	3.6708	4.4821	4.0887	4.8038	5.7501	6.0952	6.6576	6.9063	7.0555	6.9063	6.6576	6.0952	5.4490	5.4490	4.5818	3.5538	2.4525	2.8317	2.4525	1.4437	2.3359	3.5538	4.4821	4.4821	3.5538	2.3359	1.4437		1.3880	2.4525	3.5538	4.5818	4.8038	5.7501	6.0254	6.6156	6.4624	5.7501	5.4490	4.4821	4.0887	2.8317	2.4525	3.6708	4.0887	5.1676	5.3655	6.0952	6.6156	6.9177	6.6156	6.0952	5.3655
C36	6.6156	6.4624	5.7501	5.4490	6.0254	5.7501	4.8038	4.0887	4.4821	3.6708	4.0887	5.1676	5.3655	6.0952	6.6156	6.9177	6.6156	6.0952	5.3655	4.4821	4.4821	3.5538	2.3359	1.4437	2.4525	2.8317	2.4525	3.5538	4.5818	5.4490	5.4490	4.5818	3.5538	2.4525	1.3880		1.4437	2.3359	3.5538	4.0887	5.1676	5.7501	6.4624	6.6156	6.0254	5.4490	4.4821	3.6708	2.4525	2.8317	4.0887	4.8038	5.7501	6.0952	6.6576	6.9063	7.0555	6.9063	6.6576	6.0952
C37	6.9177	6.6156	6.0952	6.0952	6.6156	6.4624	5.7501	5.1676	5.3655	4.4821	4.4821	5.3655	5.1676	5.7501	6.4624	6.6156	6.0254	5.4490	4.4821	3.6708	4.0887	3.5538	2.3359	2.3359	3.5538	4.0887	3.6708	4.4821	5.4490	6.0254	5.7501	4.8038	4.0887	2.8317	2.4525	1.4437		1.4437	2.4525	2.8317	4.0887	4.8038	5.7501	6.0952	5.4490	4.5818	3.5538	2.4525	1.3880	2.4525	3.5538	4.5818	5.4490	6.0952	6.6576	6.6576	6.9063	7.0555	6.9063	6.6156
C38	6.6156	6.0254	5.4490	5.7501	6.4624	6.6156	6.0952	5.3655	5.1676	4.0887	3.6708	4.4821	4.0887	4.8038	5.7501	6.0952	5.4490	4.5818	3.5538	2.4525	2.8317	2.4525	1.4437	2.3359	3.5538	4.4821	4.4821	5.3655	6.0952	6.6156	6.4624	5.7501	5.1676	4.0887	3.5538	2.3359	1.4437		1.3880	2.4525	3.5538	4.5818	5.4490	6.0952	5.7501	4.8038	4.0887	2.8317	2.4525	3.6708	4.4821	5.4490	6.0254	6.6156	6.9063	6.6576	6.6576	6.9063	7.0555	6.9177
C39	6.4624	5.7501	5.4490	6.0254	6.6156	6.9063	6.6576	6.0952	5.7501	4.8038	4.0887	4.4821	3.6708	4.0887	5.1676	5.3655	4.4821	3.5538	2.3359	1.4437	2.4525	2.8317	2.4525	3.5538	4.5818	5.4490	5.4490	6.0952	6.6576	6.9063	6.6156	6.0254	5.7501	4.8038	4.5818	3.5538	2.4525	1.3880		1.4437	2.3359	3.5538	4.4821	5.3655	5.1676	4.0887	3.6708	2.4525	2.8317	4.0887	4.4821	5.4490	5.7501	6.4624	6.6156	6.0952	6.0952	6.6156	6.9177	7.0555
C40	6.6156	6.0952	6.0952	6.6156	6.9177	7.0555	6.9063	6.6156	6.4624	5.7501	5.1676	5.3655	4.4821	4.4821	5.3655	5.1676	4.0887	3.5538	2.3359	2.3359	3.5538	4.0887	3.6708	4.4821	5.4490	6.0254	5.7501	6.0952	6.6576	6.6576	6.0952	5.4490	5.4490	4.5818	4.8038	4.0887	2.8317	2.4525	1.4437		1.4437	2.4525	3.6708	4.4821	4.0887	2.8317	2.4525	1.3880	2.4525	3.5538	3.5538	4.5818	4.8038	5.7501	6.0254	5.4490	5.7501	6.4624	6.6156	6.9063
C41	6.0254	5.4490	5.7501	6.4624	6.6156	6.9063	7.0555	6.9177	6.6156	6.0952	5.3655	5.1676	4.0887	3.6708	4.4821	4.0887	2.8317	2.4525	1.4437	2.3359	3.5538	4.4821	4.4821	5.3655	6.0952	6.6156	6.4624	6.6156	6.9063	6.6576	6.0952	5.7501	6.0254	5.4490	5.7501	5.1676	4.0887	3.5538	2.3359	1.4437		1.3880	2.4525	3.5538	3.5538	2.4525	2.8317	2.4525	3.6708	4.4821	4.0887	4.8038	4.5818	5.4490	5.4490	4.5818	4.8038	5.7501	6.0952	6.6576
C42	5.7501	5.4490	6.0254	6.6156	6.4624	6.6156	6.9177	7.0555	6.9063	6.6576	6.0952	5.7501	4.8038	4.0887	4.4821	3.6708	2.4525	2.8317	2.4525	3.5538	4.5818	5.4490	5.4490	6.0952	6.6576	6.9063	6.6156	6.4624	6.6156	6.0952	5.3655	5.1676	5.7501	5.4490	6.0254	5.7501	4.8038	4.5818	3.5538	2.4525	1.3880		1.4437	2.3359	2.3359	1.4437	2.4525	2.8317	4.0887	4.4821	3.6708	4.0887	3.5538	4.4821	4.4821	3.5538	4.0887	5.1676	5.3655	6.0952
C43	4.8038	4.5818	5.4490	6.0952	5.7501	6.0254	6.6156	6.9063	6.6576	6.6576	6.0952	5.4490	4.5818	3.5538	3.5538	2.4525	1.3880	2.4525	2.8317	4.0887	4.8038	5.7501	6.0254	6.6156	6.9063	7.0555	6.9177	6.6156	6.4624	5.7501	5.1676	5.3655	6.0952	6.0952	6.6156	6.4624	5.7501	5.4490	4.4821	3.6708	2.4525	1.4437		1.4437	2.3359	2.3359	3.5538	4.0887	5.1676	5.3655	4.4821	4.4821	3.5538	4.0887	3.6708	2.4525	2.8317	4.0887	4.4821	5.4490
C44	4.5818	4.8038	5.7501	6.0952	5.4490	5.4490	6.0952	6.6576	6.6576	6.9063	6.6156	6.0254	5.4490	4.4821	4.0887	2.8317	2.4525	3.6708	4.0887	5.1676	5.7501	6.4624	6.6156	6.9177	7.0555	6.9063	6.6156	6.0254	5.7501	4.8038	4.0887	4.4821	5.4490	5.7501	6.4624	6.6156	6.0952	6.0952	5.3655	4.4821	3.5538	2.3359	1.4437		1.4437	2.3359	3.5538	4.4821	5.3655	5.1676	4.0887	3.6708	2.4525	2.8317	2.4525	1.3880	2.4525	3.5538	3.5538	4.5818
C45	5.4490	5.7501	6.4624	6.6156	6.0254	5.7501	6.0952	6.6576	6.9063	7.0555	6.9177	6.6156	6.0952	5.3655	5.1676	4.0887	3.5538	4.4821	4.4821	5.3655	6.0952	6.6156	6.4624	6.6156	6.9063	6.6576	6.0952	5.4490	5.4490	4.5818	3.5538	3.5538	4.5818	4.8038	5.7501	6.0254	5.4490	5.7501	5.1676	4.0887	3.5538	2.3359	2.3359	1.4437		1.4437	2.4525	3.6708	4.4821	4.0887	2.8317	2.4525	1.3880	2.4525	2.8317	2.4525	3.6708	4.4821	4.0887	4.8038
C46	6.0952	6.0952	6.6156	6.9177	6.6156	6.4624	6.6156	6.9063	7.0555	6.9063	6.6156	6.4624	5.7501	5.1676	5.3655	4.4821	3.5538	4.0887	3.6708	4.4821	5.4490	6.0254	5.7501	6.0952	6.6576	6.6576	6.0952	5.7501	6.0254	5.4490	4.4821	4.0887	4.8038	4.5818	5.4490	5.4490	4.5818	4.8038	4.0887	2.8317	2.4525	1.4437	2.3359	2.3359	1.4437		1.3880	2.4525	3.5538	3.5538	2.4525	2.8317	2.4525	3.6708	4.0887	3.5538	4.4821	5.3655	5.1676	5.7501
C47	6.6576	6.6576	6.9063	7.0555	6.9063	6.6156	6.4624	6.6156	6.9177	6.6156	6.4624	6.6156	6.0254	5.7501	6.0952	5.4490	4.5818	4.8038	4.0887	4.4821	5.4490	5.7501	5.1676	5.3655	6.0952	6.0952	5.3655	5.1676	5.7501	5.4490	4.4821	3.6708	4.0887	3.5538	4.4821	4.4821	3.5538	4.0887	3.6708	2.4525	2.8317	2.4525	3.5538	3.5538	2.4525	1.3880		1.4437	2.3359	2.3359	1.4437	2.4525	2.8317	4.0887	4.8038	4.5818	5.4490	6.0952	5.7501	6.0254
C48	6.9063	6.6576	6.6576	6.9063	7.0555	6.9177	6.6156	6.4624	6.6156	6.0254	5.7501	6.0952	5.4490	5.4490	6.0952	5.7501	4.8038	4.5818	3.5538	3.5538	4.5818	4.8038	4.0887	4.4821	5.4490	5.7501	5.1676	5.3655	6.0952	6.0952	5.3655	4.4821	4.4821	3.5538	4.0887	3.6708	2.4525	2.8317	2.4525	1.3880	2.4525	2.8317	4.0887	4.4821	3.6708	2.4525	1.4437		1.4437	2.3359	2.3359	3.5538	4.0887	5.1676	5.7501	5.4490	6.0254	6.6156	6.4624	6.6156
C49	7.0555	6.9063	6.6576	6.6576	6.9063	6.6156	6.0254	5.7501	6.0952	5.4490	5.4490	6.0952	5.7501	6.0254	6.6156	6.4624	5.7501	5.4490	4.4821	4.0887	4.8038	4.5818	3.5538	3.5538	4.5818	4.8038	4.0887	4.4821	5.4490	5.7501	5.1676	4.0887	3.6708	2.4525	2.8317	2.4525	1.3880	2.4525	2.8317	2.4525	3.6708	4.0887	5.1676	5.3655	4.4821	3.5538	2.3359	1.4437		1.4437	2.3359	3.5538	4.4821	5.3655	6.0952	6.0952	6.6156	6.9177	6.6156	6.4624
C50	6.9063	7.0555	6.9063	6.6576	6.6576	6.0952	5.4490	5.4490	6.0952	5.7501	6.0254	6.6156	6.4624	6.6156	6.9177	6.6156	6.0952	6.0952	5.3655	5.1676	5.7501	5.4490	4.4821	4.0887	4.8038	4.5818	3.5538	3.5538	4.5818	4.8038	4.0887	2.8317	2.4525	1.3880	2.4525	2.8317	2.4525	3.6708	4.0887	3.5538	4.4821	4.4821	5.3655	5.1676	4.0887	3.5538	2.3359	2.3359	1.4437		1.4437	2.4525	3.6708	4.4821	5.4490	5.7501	6.4624	6.6156	6.0254	5.7501
C51	6.6576	6.9063	7.0555	6.9063	6.6576	6.0952	5.7501	6.0254	6.6156	6.4624	6.6156	6.9177	6.6156	6.4624	6.6156	6.0254	5.4490	5.7501	5.1676	5.3655	6.0952	6.0952	5.3655	5.1676	5.7501	5.4490	4.4821	4.0887	4.8038	4.5818	3.5538	2.4525	2.8317	2.4525	3.6708	4.0887	3.5538	4.4821	4.4821	3.5538	4.0887	3.6708	4.4821	4.0887	2.8317	2.4525	1.4437	2.3359	2.3359	1.4437		1.3880	2.4525	3.5538	4.5818	4.8038	5.7501	6.0952	5.4490	5.4490
C52	6.0952	6.6156	6.9177	6.6156	6.0952	5.3655	5.1676	5.7501	6.4624	6.6156	6.9063	7.0555	6.9063	6.6156	6.4624	5.7501	5.4490	6.0254	5.7501	6.0952	6.6576	6.6576	6.0952	5.7501	6.0254	5.4490	4.4821	3.6708	4.0887	3.5538	2.3359	1.4437	2.4525	2.8317	4.0887	4.8038	4.5818	5.4490	5.4490	4.5818	4.8038	4.0887	4.4821	3.6708	2.4525	2.8317	2.4525	3.5538	3.5538	2.4525	1.3880		1.4437	2.3359	3.5538	4.0887	5.1676	5.3655	4.4821	4.4821
C53	5.4490	6.0254	6.6156	6.4624	5.7501	5.1676	5.3655	6.0952	6.6156	6.9177	7.0555	6.9063	6.6576	6.0952	5.7501	4.8038	4.5818	5.4490	5.4490	6.0952	6.6576	6.9063	6.6156	6.4624	6.6156	6.0952	5.3655	4.4821	4.4821	3.5538	2.3359	2.3359	3.5538	4.0887	5.1676	5.7501	5.4490	6.0254	5.7501	4.8038	4.5818	3.5538	3.5538	2.4525	1.3880	2.4525	2.8317	4.0887	4.4821	3.6708	2.4525	1.4437		1.4437	2.4525	2.8317	4.0887	4.4821	3.6708	4.0887
C54	4.5818	5.4490	6.0952	5.7501	4.8038	4.0887	4.4821	5.4490	6.0254	6.6156	6.9063	6.6576	6.6576	6.0952	5.4490	4.5818	4.8038	5.7501	6.0254	6.6156	6.9063	7.0555	6.9177	6.6156	6.4624	5.7501	5.1676	4.0887	3.6708	2.4525	1.4437	2.3359	3.5538	4.4821	5.3655	6.0952	6.0952	6.6156	6.4624	5.7501	5.4490	4.4821	4.0887	2.8317	2.4525	3.6708	4.0887	5.1676	5.3655	4.4821	3.5538	2.3359	1.4437		1.3880	2.4525	3.5538	3.5538	2.4525	2.8317
C55	3.5538	4.4821	5.3655	5.1676	4.0887	3.6708	4.4821	5.4490	5.7501	6.4624	6.6156	6.0952	6.0952	5.3655	4.4821	3.5538	4.0887	5.1676	5.7501	6.4624	6.6156	6.9177	7.0555	6.9063	6.6156	6.0254	5.7501	4.8038	4.0887	2.8317	2.4525	3.5538	4.5818	5.4490	6.0952	6.6576	6.6576	6.9063	6.6156	6.0254	5.4490	4.4821	3.6708	2.4525	2.8317	4.0887	4.8038	5.7501	6.0952	5.4490	4.5818	3.5538	2.4525	1.3880		1.4437	2.3359	2.3359	1.4437	2.4525
C56	3.5538	4.0887	5.1676	5.3655	4.4821	4.4821	5.3655	6.0952	6.0952	6.6156	6.4624	5.7501	5.4490	4.4821	3.6708	2.4525	2.8317	4.0887	4.8038	5.7501	6.0254	6.6156	6.9063	7.0555	6.9177	6.6156	6.4624	5.7501	5.1676	4.0887	3.6708	4.4821	5.4490	6.0254	6.6156	6.9063	6.6576	6.6576	6.0952	5.4490	4.5818	3.5538	2.4525	1.3880	2.4525	3.5538	4.5818	5.4490	6.0952	5.7501	4.8038	4.0887	2.8317	2.4525	1.4437		1.4437	2.3359	2.3359	3.5538
C57	2.4525	2.8317	4.0887	4.4821	3.6708	4.0887	5.1676	5.7501	5.4490	6.0254	5.7501	4.8038	4.5818	3.5538	2.4525	1.3880	2.4525	3.5538	4.5818	5.4490	5.4490	6.0952	6.6576	6.9063	6.6156	6.4624	6.6156	6.0952	5.3655	4.4821	4.4821	5.3655	6.0952	6.6156	6.9177	7.0555	6.9063	6.6576	6.0952	5.7501	4.8038	4.0887	2.8317	2.4525	3.6708	4.4821	5.4490	6.0254	6.6156	6.4624	5.7501	5.1676	4.0887	3.5538	2.3359	1.4437		1.4437	2.3359	3.5538
C58	1.3880	2.4525	3.5538	3.5538	2.4525	2.8317	4.0887	4.8038	4.5818	5.4490	5.4490	4.5818	4.8038	4.0887	2.8317	2.4525	3.6708	4.4821	5.4490	6.0254	5.7501	6.0952	6.6576	6.6576	6.0952	5.7501	6.0254	5.4490	4.4821	3.6708	4.0887	5.1676	5.7501	6.4624	6.6156	6.9063	7.0555	6.9063	6.6156	6.4624	5.7501	5.1676	4.0887	3.5538	4.4821	5.3655	6.0952	6.6156	6.9177	6.6156	6.0952	5.3655	4.4821	3.5538	2.3359	2.3359	1.4437		1.4437	2.4525
C59	2.4525	3.6708	4.4821	4.0887	2.8317	2.4525	3.5538	4.5818	4.8038	5.7501	6.0254	5.4490	5.7501	5.1676	4.0887	3.5538	4.4821	5.3655	6.0952	6.6156	6.4624	6.6156	6.9063	6.6576	6.0952	5.4490	5.4490	4.5818	3.5538	2.4525	2.8317	4.0887	4.8038	5.7501	6.0952	6.6576	6.9063	7.0555	6.9177	6.6156	6.0952	5.3655	4.4821	3.5538	4.0887	5.1676	5.7501	6.4624	6.6156	6.0254	5.4490	4.4821	3.6708	2.4525	1.4437	2.3359	2.3359	1.4437		1.3880
C60	2.8317	4.0887	4.4821	3.6708	2.4525	1.4437	2.3359	3.5538	4.0887	5.1676	5.7501	5.4490	6.0254	5.7501	4.8038	4.5818	5.4490	6.0952	6.6576	6.9063	6.6156	6.4624	6.6156	6.0952	5.3655	4.4821	4.4821	3.5538	2.3359	1.4437	2.4525	3.6708	4.0887	5.1676	5.3655	6.0952	6.6156	6.9177	7.0555	6.9063	6.6576	6.0952	5.4490	4.5818	4.8038	5.7501	6.0254	6.6156	6.4624	5.7501	5.4490	4.4821	4.0887	2.8317	2.4525	3.5538	3.5538	2.4525	1.3880

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 B1B95/6-31G** 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 -323.346 0.000 0.000 y 0.000 -323.346 0.000 z 0.000 0.000 -323.346

Traceless   x y z x 0.000 0.000 0.000 y 0.000 0.000 0.000 z 0.000 0.000 0.000

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

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

	x	y	z
x	68.443	0.000	0.000
y	0.000	68.444	0.000
z	0.000	0.000	68.443

<r²> (average value of r²) Ų

<r2>	4682.220
(<r2>)1/2	68.427