All results from a given calculation for C₆₀ (Buckminsterfullerene)

Energy calculated at B1B95/3-21G

	hartrees
Energy at 0K	-2272.796310
Energy at 298.15K	-2272.794539
HF Energy	-2272.796310
Nuclear repulsion energy	8359.033653

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 B1B95/3-21G

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	1549	1482	0.00
2	Ag	500	479	0.00
3	Au	1015	971	0.00
4	T1g	1306	1250	0.00
4	T1g	1306	1250	0.00
4	T1g	1306	1250	0.00
5	T1g	871	833	0.00
5	T1g	871	833	0.00
5	T1g	871	833	0.00
6	T1g	543	519	0.00
6	T1g	543	519	0.00
6	T1g	543	519	0.00
7	T1u	1501	1436	16.34
7	T1u	1501	1436	16.33
7	T1u	1501	1436	16.34
8	T1u	1209	1156	10.03
8	T1u	1209	1156	10.03
8	T1u	1209	1156	10.04
9	T1u	594	569	5.52
9	T1u	594	569	5.52
9	T1u	594	569	5.52
10	T1u	508	486	29.00
10	T1u	508	486	29.00
10	T1u	508	486	29.00
11	T2g	1371	1311	0.00
11	T2g	1371	1311	0.00
11	T2g	1371	1311	0.00
12	T2g	845	809	0.00
12	T2g	845	809	0.00
12	T2g	845	809	0.00
13	T2g	622	595	0.00
13	T2g	622	595	0.00
13	T2g	622	595	0.00
14	T2g	588	563	0.00
14	T2g	588	563	0.00
14	T2g	588	563	0.00
15	T2u	1604	1534	0.00
15	T2u	1604	1534	0.00
15	T2u	1604	1534	0.00
16	T2u	1198	1146	0.00
16	T2u	1198	1146	0.00
16	T2u	1198	1146	0.00
17	T2u	990	947	0.00
17	T2u	990	947	0.00
17	T2u	990	947	0.00
18	T2u	671	642	0.00
18	T2u	671	642	0.00
81	T2u	671	642	0.00
19	T2u	350	335	0.00
19	T2u	350	335	0.00
19	T2u	350	335	0.00
20	Gg	1563	1495	0.00
20	Gg	1563	1495	0.00
20	Gg	1563	1495	0.00
20	Gg	1563	1495	0.00
21	Gg	1348	1290	0.00
21	Gg	1348	1290	0.00
21	Gg	1348	1290	0.00
21	Gg	1348	1290	0.00
22	Gg	1097	1050	0.00
22	Gg	1097	1050	0.00
22	Gg	1097	1050	0.00
22	Gg	1097	1050	0.00
23	Gg	678	648	0.00
23	Gg	678	648	0.00
23	Gg	678	648	0.00
23	Gg	678	648	0.00
24	Gg	604	578	0.00
24	Gg	604	578	0.00
24	Gg	604	578	0.00
24	Gg	604	578	0.00
25	Gg	486	465	0.00
25	Gg	486	465	0.00
25	Gg	486	465	0.00
25	Gg	486	465	0.00
26	Gu	1480	1416	0.00
26	Gu	1480	1416	0.00
26	Gu	1480	1416	0.00
26	Gu	1480	1416	0.00
27	Gu	1342	1283	0.00
27	Gu	1342	1283	0.00
27	Gu	1342	1283	0.00
27	Gu	1342	1283	0.00
28	Gu	995	952	0.00
28	Gu	995	952	0.00
28	Gu	995	952	0.00
28	Gu	995	952	0.00
29	Gu	801	766	0.00
29	Gu	801	766	0.00
29	Gu	801	766	0.00
29	Gu	801	766	0.00
30	Gu	640	613	0.00
30	Gu	640	613	0.00
30	Gu	640	613	0.00
30	Gu	640	613	0.00
31	Gu	359	343	0.00
31	Gu	359	343	0.00
31	Gu	359	343	0.00
31	Gu	359	343	0.00
32	Hg	1646	1575	0.00
32	Hg	1646	1575	0.00
32	Hg	1646	1575	0.00
32	Hg	1646	1575	0.00
32	Hg	1646	1575	0.00
33	Hg	1482	1418	0.00
33	Hg	1482	1418	0.00
33	Hg	1482	1418	0.00
33	Hg	1482	1418	0.00
33	Hg	1482	1418	0.00
34	Hg	1276	1221	0.00
34	Hg	1276	1221	0.00
34	Hg	1276	1221	0.00
34	Hg	1276	1221	0.00
34	Hg	1276	1221	0.00
35	Hg	1136	1087	0.00
35	Hg	1136	1087	0.00
35	Hg	1136	1087	0.00
35	Hg	1136	1087	0.00
35	Hg	1136	1087	0.00
36	Hg	798	764	0.00
36	Hg	798	764	0.00
36	Hg	798	764	0.00
36	Hg	798	764	0.00
36	Hg	798	764	0.00
37	Hg	670	641	0.00
37	Hg	670	641	0.00
37	Hg	670	641	0.00
37	Hg	670	641	0.00
37	Hg	670	641	0.00
38	Hg	431	412	0.00
38	Hg	431	412	0.00
38	Hg	431	412	0.00
38	Hg	431	412	0.00
38	Hg	431	412	0.00
39	Hg	273	262	0.00
39	Hg	273	262	0.00
39	Hg	273	262	0.00
39	Hg	273	262	0.00
39	Hg	273	262	0.00
40	Hu	1634	1563	0.00
40	Hu	1634	1563	0.00
40	Hu	1634	1563	0.00
40	Hu	1634	1563	0.00
40	Hu	1634	1563	0.00
41	Hu	1373	1313	0.00
41	Hu	1373	1313	0.00
41	Hu	1373	1313	0.00
41	Hu	1373	1313	0.00
41	Hu	1373	1313	0.00
42	Hu	1252	1198	0.00
42	Hu	1252	1198	0.00
42	Hu	1252	1198	0.00
42	Hu	1252	1198	0.00
42	Hu	1252	1198	0.00
43	Hu	720	689	0.00
43	Hu	720	689	0.00
43	Hu	720	689	0.00
43	Hu	720	689	0.00
43	Hu	720	689	0.00
44	Hu	666	637	0.00
44	Hu	666	637	0.00
44	Hu	666	637	0.00
44	Hu	666	637	0.00
44	Hu	666	637	0.00
45	Hu	534	511	0.00
45	Hu	534	511	0.00
45	Hu	534	511	0.00
45	Hu	534	511	0.00
45	Hu	534	511	0.00
46	Hu	425	406	0.00
46	Hu	425	406	0.00
46	Hu	425	406	0.00
46	Hu	425	406	0.00
46	Hu	425	406	0.00

Unscaled Zero Point Vibrational Energy (zpe) 82259.9 cm^-1
Scaled (by 0.9567) Zero Point Vibrational Energy (zpe) 78698.0 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 B1B95/3-21G

A	B	C
0.00281	0.00281	0.00281

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

Geometric Data calculated at B1B95/3-21G

Point Group is I_h

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.235	3.314
C2	-1.174	0.381	3.314
C3	-0.726	-0.999	3.314
C4	0.726	-0.999	3.314
C5	1.174	0.381	3.314
C6	2.294	0.745	2.586
C7	3.019	-0.253	1.823
C8	2.592	-1.570	1.823
C9	1.418	-1.951	2.586
C10	0.692	-2.950	1.823
C11	-0.692	-2.950	1.823
C12	-1.418	-1.951	2.586
C13	-2.592	-1.570	1.823
C14	-3.019	-0.253	1.823
C15	-2.294	0.745	2.586
C16	-2.294	1.980	1.823
C17	-3.019	1.744	0.589
C18	-3.468	0.364	0.589
C19	-3.468	-0.364	-0.589
C20	-3.019	-1.744	-0.589
C21	-2.592	-2.333	0.589
C22	-1.418	-3.186	0.589
C23	-0.726	-3.411	-0.589
C24	0.726	-3.411	-0.589
C25	1.418	-3.186	0.589
C26	2.592	-2.333	0.589
C27	3.019	-1.744	-0.589
C28	3.468	-0.364	-0.589
C29	3.468	0.364	0.589
C30	3.019	1.744	0.589
C31	2.592	2.333	-0.589
C32	2.592	1.570	-1.823
C33	3.019	0.253	-1.823
C34	2.294	-0.745	-2.586
C35	2.294	-1.980	-1.823
C36	1.174	-2.793	-1.823
C37	0.000	-2.412	-2.586
C38	-1.174	-2.793	-1.823
C39	-2.294	-1.980	-1.823
C40	-2.294	-0.745	-2.586
C41	-3.019	0.253	-1.823
C42	-2.592	1.570	-1.823
C43	-2.592	2.333	-0.589
C44	-1.418	3.186	-0.589
C45	-0.692	2.950	-1.823
C46	-1.418	1.951	-2.586
C47	-0.726	0.999	-3.314
C48	-1.174	-0.381	-3.314
C49	0.000	-1.235	-3.314
C50	1.174	-0.381	-3.314
C51	0.726	0.999	-3.314
C52	1.418	1.951	-2.586
C53	0.692	2.950	-1.823
C54	1.418	3.186	-0.589
C55	0.726	3.411	0.589
C56	-0.726	3.411	0.589
C57	-1.174	2.793	1.823
C58	0.000	2.412	2.586
C59	1.174	2.793	1.823
C60	2.294	1.980	1.823

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	2.4556	3.6814	4.0991	3.5620	4.4956	4.4956	3.5620	4.0991	3.6814	2.4556	2.8352	4.0991	4.4956	5.4598	5.7634	5.1835	5.3828	6.1100	6.1100	5.3828	5.1835	5.7634	5.4598	4.4956	4.0991	4.8116	5.7634	6.0388	6.6324	6.4793	6.6324	6.9357	6.6324	6.4793	6.6324	6.0388	5.7634	4.8116	4.5875	5.4598	6.1100	6.6712	6.9219	7.0724	6.9219	6.6712	6.1100	5.4598	4.5875	3.5620	3.5620	2.4556	1.3839	2.4556	2.8352
C2	1.4513		1.4513	2.3482	2.3482	3.5620	4.4956	4.4956	3.5620	4.0991	3.6814	2.4556	2.8352	2.4556	1.3839	2.4556	3.5620	3.5620	4.5875	4.8116	4.0991	4.4956	5.4598	5.7634	5.1835	5.3828	6.1100	6.1100	5.3828	5.1835	5.7634	6.4793	6.6324	6.9357	6.6324	6.4793	6.6324	6.0388	5.7634	6.1100	5.4598	5.4598	4.5875	4.8116	5.7634	6.1100	6.6712	6.6712	6.9219	7.0724	6.9219	6.6324	6.0388	5.4598	4.4956	4.0991	2.8352	2.4556	3.6814	4.0991
C3	2.3482	1.4513		1.4513	2.3482	3.5620	4.0991	3.6814	2.4556	2.8352	2.4556	1.3839	2.4556	2.8352	2.4556	3.6814	4.4956	4.0991	4.8116	4.5875	3.5620	3.5620	4.5875	4.8116	4.0991	4.4956	5.4598	5.7634	5.1835	5.3828	6.1100	6.6324	6.4793	6.6324	6.0388	5.7634	6.1100	5.4598	5.4598	6.1100	5.7634	6.0388	5.4598	5.7634	6.4793	6.6324	6.9219	6.6712	6.6712	6.9219	7.0724	6.9357	6.6324	6.1100	5.3828	5.1835	4.0991	3.5620	4.4956	4.4956
C4	2.3482	2.3482	1.4513		1.4513	2.4556	2.8352	2.4556	1.3839	2.4556	2.8352	2.4556	3.6814	4.0991	3.5620	4.4956	5.3828	5.1835	5.7634	5.4598	4.4956	4.0991	4.8116	4.5875	3.5620	3.5620	4.5875	4.8116	4.0991	4.4956	5.4598	6.0388	5.7634	6.1100	5.4598	5.4598	6.1100	5.7634	6.0388	6.6324	6.4793	6.6324	6.1100	6.1100	6.6324	6.9357	7.0724	6.9219	6.6712	6.6712	6.9219	6.6324	6.4793	5.7634	5.1835	5.3828	4.4956	3.5620	4.0991	3.6814
C5	1.4513	2.3482	2.3482	1.4513		1.3839	2.4556	2.8352	2.4556	3.6814	4.0991	3.5620	4.4956	4.4956	3.5620	4.0991	5.1835	5.3828	6.1100	6.1100	5.3828	5.1835	5.7634	5.4598	4.4956	4.0991	4.8116	4.5875	3.5620	3.5620	4.5875	5.4598	5.4598	6.1100	5.7634	6.0388	6.6324	6.4793	6.6324	6.9357	6.6324	6.4793	5.7634	5.4598	6.0388	6.6324	6.9219	7.0724	6.9219	6.6712	6.6712	6.1100	5.7634	4.8116	4.0991	4.4956	3.6814	2.4556	2.8352	2.4556
C6	2.4556	3.5620	3.5620	2.4556	1.3839		1.4513	2.4556	2.8352	4.0991	4.8116	4.5875	5.4598	5.4598	4.5875	4.8116	5.7634	6.1100	6.6712	6.6712	6.1100	5.7634	6.0388	5.4598	4.4956	3.6814	4.0991	3.5620	2.3482	2.3482	3.5620	4.4956	4.4956	5.3828	5.1835	5.7634	6.4793	6.6324	6.9219	7.0724	6.9219	6.6324	6.0388	5.4598	5.7634	6.4793	6.6324	6.9357	6.6324	6.1100	6.1100	5.3828	5.1835	4.0991	3.6814	4.4956	4.0991	2.8352	2.4556	1.4513
C7	3.6814	4.4956	4.0991	2.8352	2.4556	1.4513		1.3839	2.4556	3.5620	4.5875	4.8116	5.7634	6.0388	5.4598	5.7634	6.4793	6.6324	6.9219	6.6712	6.1100	5.4598	5.4598	4.5875	3.5620	2.4556	2.8352	2.4556	1.4513	2.3482	3.5620	4.0991	3.6814	4.4956	4.0991	4.8116	5.7634	6.1100	6.6712	6.9219	7.0724	6.9357	6.6324	6.1100	6.1100	6.6324	6.4793	6.6324	6.0388	5.4598	5.7634	5.1835	5.3828	4.4956	4.4956	5.3828	5.1835	4.0991	3.5620	2.3482
C8	4.0991	4.4956	3.6814	2.4556	2.8352	2.4556	1.3839		1.4513	2.3482	3.5620	4.0991	5.1835	5.7634	5.4598	6.0388	6.6324	6.4793	6.6324	6.1100	5.3828	4.4956	4.4956	3.5620	2.3482	1.4513	2.4556	2.8352	2.4556	3.5620	4.5875	4.8116	4.0991	4.4956	3.6814	4.0991	5.1835	5.3828	6.1100	6.6324	6.9357	7.0724	6.9219	6.6712	6.6712	6.9219	6.6324	6.4793	5.7634	5.4598	6.0388	5.7634	6.1100	5.4598	5.4598	6.1100	5.7634	4.8116	4.5875	3.5620
C9	3.5620	3.5620	2.4556	1.3839	2.4556	2.8352	2.4556	1.4513		1.4513	2.4556	2.8352	4.0991	4.8116	4.5875	5.4598	6.1100	5.7634	6.0388	5.4598	4.4956	3.6814	4.0991	3.5620	2.3482	2.3482	3.5620	4.0991	3.6814	4.4956	5.4598	5.7634	5.1835	5.3828	4.4956	4.4956	5.3828	5.1835	5.7634	6.4793	6.6324	6.9219	6.6712	6.6712	6.9219	7.0724	6.9357	6.6324	6.1100	6.1100	6.6324	6.4793	6.6324	6.0388	5.7634	6.1100	5.4598	4.5875	4.8116	4.0991
C10	4.4956	4.0991	2.8352	2.4556	3.6814	4.0991	3.5620	2.3482	1.4513		1.3839	2.4556	3.5620	4.5875	4.8116	5.7634	6.1100	5.4598	5.4598	4.5875	3.5620	2.4556	2.8352	2.4556	1.4513	2.3482	3.5620	4.4956	4.4956	5.3828	6.1100	6.1100	5.3828	5.1835	4.0991	3.6814	4.4956	4.0991	4.8116	5.7634	6.1100	6.6712	6.6712	6.9219	7.0724	6.9219	6.6324	6.0388	5.4598	5.7634	6.4793	6.6324	6.9357	6.6324	6.4793	6.6324	6.0388	5.4598	5.7634	5.1835
C11	4.4956	3.6814	2.4556	2.8352	4.0991	4.8116	4.5875	3.5620	2.4556	1.3839		1.4513	2.3482	3.5620	4.0991	5.1835	5.3828	4.4956	4.4956	3.5620	2.3482	1.4513	2.4556	2.8352	2.4556	3.5620	4.5875	5.4598	5.4598	6.1100	6.6712	6.6712	6.1100	5.7634	4.8116	4.0991	4.4956	3.6814	4.0991	5.1835	5.3828	6.1100	6.1100	6.6324	6.9357	6.6324	6.4793	5.7634	5.4598	6.0388	6.6324	6.9219	7.0724	6.9219	6.6324	6.4793	5.7634	5.4598	6.0388	5.7634
C12	3.5620	2.4556	1.3839	2.4556	3.5620	4.5875	4.8116	4.0991	2.8352	2.4556	1.4513		1.4513	2.4556	2.8352	4.0991	4.4956	3.6814	4.0991	3.5620	2.3482	2.3482	3.5620	4.0991	3.6814	4.4956	5.4598	6.0388	5.7634	6.1100	6.6712	6.9219	6.6324	6.4793	5.7634	5.1835	5.3828	4.4956	4.4956	5.3828	5.1835	5.7634	5.4598	6.0388	6.6324	6.4793	6.6324	6.1100	6.1100	6.6324	6.9357	7.0724	6.9219	6.6712	6.1100	5.7634	4.8116	4.5875	5.4598	5.4598
C13	4.0991	2.8352	2.4556	3.6814	4.4956	5.4598	5.7634	5.1835	4.0991	3.5620	2.3482	1.4513		1.3839	2.4556	3.5620	3.5620	2.4556	2.8352	2.4556	1.4513	2.3482	3.5620	4.4956	4.4956	5.3828	6.1100	6.6324	6.4793	6.6324	6.9219	7.0724	6.9357	6.6324	6.1100	5.3828	5.1835	4.0991	3.6814	4.4956	4.0991	4.8116	4.5875	5.4598	6.1100	5.7634	6.0388	5.4598	5.7634	6.4793	6.6324	6.9219	6.6712	6.6712	6.1100	5.4598	4.5875	4.8116	5.7634	6.0388
C14	3.6814	2.4556	2.8352	4.0991	4.4956	5.4598	6.0388	5.7634	4.8116	4.5875	3.5620	2.4556	1.3839		1.4513	2.3482	2.3482	1.4513	2.4556	2.8352	2.4556	3.5620	4.5875	5.4598	5.4598	6.1100	6.6712	6.9219	6.6324	6.4793	6.6324	6.9357	7.0724	6.9219	6.6712	6.1100	5.7634	4.8116	4.0991	4.4956	3.6814	4.0991	3.5620	4.4956	5.3828	5.1835	5.7634	5.4598	6.0388	6.6324	6.4793	6.6324	6.1100	6.1100	5.3828	4.4956	3.5620	4.0991	5.1835	5.7634
C15	2.4556	1.3839	2.4556	3.5620	3.5620	4.5875	5.4598	5.4598	4.5875	4.8116	4.0991	2.8352	2.4556	1.4513		1.4513	2.3482	2.3482	3.5620	4.0991	3.6814	4.4956	5.4598	6.0388	5.7634	6.1100	6.6712	6.6712	6.1100	5.7634	6.0388	6.6324	6.9219	7.0724	6.9219	6.6324	6.4793	5.7634	5.1835	5.3828	4.4956	4.4956	3.5620	4.0991	5.1835	5.3828	6.1100	6.1100	6.6324	6.9357	6.6324	6.4793	5.7634	5.4598	4.4956	3.6814	2.4556	2.8352	4.0991	4.8116
C16	2.8352	2.4556	3.6814	4.4956	4.0991	4.8116	5.7634	6.0388	5.4598	5.7634	5.1835	4.0991	3.5620	2.3482	1.4513		1.4513	2.3482	3.5620	4.4956	4.4956	5.3828	6.1100	6.6324	6.4793	6.6324	6.9219	6.6712	6.1100	5.4598	5.4598	6.1100	6.6712	6.9219	7.0724	6.9357	6.6324	6.1100	5.3828	5.1835	4.0991	3.6814	2.4556	2.8352	4.0991	4.4956	5.4598	5.7634	6.4793	6.6324	6.0388	5.7634	4.8116	4.5875	3.5620	2.4556	1.3839	2.4556	3.5620	4.5875
C17	4.0991	3.5620	4.4956	5.3828	5.1835	5.7634	6.4793	6.6324	6.1100	6.1100	5.3828	4.4956	3.5620	2.3482	2.3482	1.4513		1.4513	2.4556	3.6814	4.0991	5.1835	5.7634	6.4793	6.6324	6.9357	7.0724	6.9219	6.6324	6.0388	5.7634	6.1100	6.6712	6.6712	6.9219	6.6324	6.0388	5.4598	4.4956	4.0991	2.8352	2.4556	1.3839	2.4556	3.5620	3.5620	4.5875	4.8116	5.7634	6.1100	5.4598	5.4598	4.5875	4.8116	4.0991	2.8352	2.4556	3.6814	4.4956	5.4598
C18	4.4956	3.5620	4.0991	5.1835	5.3828	6.1100	6.6324	6.4793	5.7634	5.4598	4.4956	3.6814	2.4556	1.4513	2.3482	2.3482	1.4513		1.3839	2.4556	2.8352	4.0991	4.8116	5.7634	6.0388	6.6324	6.9219	7.0724	6.9357	6.6324	6.4793	6.6324	6.9219	6.6712	6.6712	6.1100	5.4598	4.5875	3.5620	3.5620	2.4556	2.8352	2.4556	3.6814	4.4956	4.0991	4.8116	4.5875	5.4598	6.1100	5.7634	6.0388	5.4598	5.7634	5.1835	4.0991	3.5620	4.4956	5.3828	6.1100
C19	5.4598	4.5875	4.8116	5.7634	6.1100	6.6712	6.9219	6.6324	6.0388	5.4598	4.4956	4.0991	2.8352	2.4556	3.5620	3.5620	2.4556	1.3839		1.4513	2.4556	3.6814	4.0991	5.1835	5.7634	6.4793	6.6324	6.9357	7.0724	6.9219	6.6324	6.4793	6.6324	6.1100	6.1100	5.3828	4.4956	3.5620	2.3482	2.3482	1.4513	2.4556	2.8352	4.0991	4.4956	3.6814	4.0991	3.5620	4.4956	5.3828	5.1835	5.7634	5.4598	6.0388	5.7634	4.8116	4.5875	5.4598	6.1100	6.6712
C20	5.7634	4.8116	4.5875	5.4598	6.1100	6.6712	6.6712	6.1100	5.4598	4.5875	3.5620	3.5620	2.4556	2.8352	4.0991	4.4956	3.6814	2.4556	1.4513		1.3839	2.4556	2.8352	4.0991	4.8116	5.7634	6.0388	6.6324	6.9219	7.0724	6.9357	6.6324	6.4793	5.7634	5.4598	4.4956	3.6814	2.4556	1.4513	2.3482	2.3482	3.5620	4.0991	5.1835	5.3828	4.4956	4.4956	3.5620	4.0991	5.1835	5.3828	6.1100	6.1100	6.6324	6.4793	5.7634	5.4598	6.0388	6.6324	6.9219
C21	5.1835	4.0991	3.5620	4.4956	5.3828	6.1100	6.1100	5.3828	4.4956	3.5620	2.3482	2.3482	1.4513	2.4556	3.6814	4.4956	4.0991	2.8352	2.4556	1.3839		1.4513	2.4556	3.6814	4.0991	5.1835	5.7634	6.4793	6.6324	6.9357	7.0724	6.9219	6.6324	6.0388	5.4598	4.4956	4.0991	2.8352	2.4556	3.5620	3.5620	4.5875	4.8116	5.7634	6.1100	5.4598	5.4598	4.5875	4.8116	5.7634	6.1100	6.6712	6.6712	6.9219	6.6324	6.0388	5.4598	5.7634	6.4793	6.6324
C22	5.3828	4.4956	3.5620	4.0991	5.1835	5.7634	5.4598	4.4956	3.6814	2.4556	1.4513	2.3482	2.3482	3.5620	4.4956	5.3828	5.1835	4.0991	3.6814	2.4556	1.4513		1.3839	2.4556	2.8352	4.0991	4.8116	5.7634	6.0388	6.6324	6.9219	6.6712	6.1100	5.4598	4.5875	3.5620	3.5620	2.4556	2.8352	4.0991	4.4956	5.4598	5.7634	6.4793	6.6324	6.0388	5.7634	4.8116	4.5875	5.4598	6.1100	6.6712	6.9219	7.0724	6.9357	6.6324	6.1100	6.1100	6.6324	6.4793
C23	6.1100	5.4598	4.5875	4.8116	5.7634	6.0388	5.4598	4.4956	4.0991	2.8352	2.4556	3.5620	3.5620	4.5875	5.4598	6.1100	5.7634	4.8116	4.0991	2.8352	2.4556	1.3839		1.4513	2.4556	3.6814	4.0991	5.1835	5.7634	6.4793	6.6324	6.1100	5.3828	4.4956	3.5620	2.3482	2.3482	1.4513	2.4556	3.6814	4.4956	5.4598	6.0388	6.6324	6.4793	5.7634	5.1835	4.0991	3.5620	4.4956	5.3828	6.1100	6.6324	6.9357	7.0724	6.9219	6.6712	6.6712	6.9219	6.6324
C24	6.1100	5.7634	4.8116	4.5875	5.4598	5.4598	4.5875	3.5620	3.5620	2.4556	2.8352	4.0991	4.4956	5.4598	6.0388	6.6324	6.4793	5.7634	5.1835	4.0991	3.6814	2.4556	1.4513		1.3839	2.4556	2.8352	4.0991	4.8116	5.7634	6.0388	5.4598	4.4956	3.6814	2.4556	1.4513	2.3482	2.3482	3.5620	4.4956	5.3828	6.1100	6.6324	6.9357	6.6324	6.1100	5.3828	4.4956	3.5620	4.0991	5.1835	5.7634	6.4793	6.6324	6.9219	7.0724	6.9219	6.6712	6.6712	6.1100
C25	5.3828	5.1835	4.0991	3.5620	4.4956	4.4956	3.5620	2.3482	2.3482	1.4513	2.4556	3.6814	4.4956	5.4598	5.7634	6.4793	6.6324	6.0388	5.7634	4.8116	4.0991	2.8352	2.4556	1.3839		1.4513	2.4556	3.6814	4.0991	5.1835	5.7634	5.4598	4.4956	4.0991	2.8352	2.4556	3.5620	3.5620	4.5875	5.4598	6.1100	6.6712	6.9219	7.0724	6.9219	6.6712	6.1100	5.4598	4.5875	4.8116	5.7634	6.0388	6.6324	6.4793	6.6324	6.9357	6.6324	6.1100	6.1100	5.3828
C26	5.1835	5.3828	4.4956	3.5620	4.0991	3.6814	2.4556	1.4513	2.3482	2.3482	3.5620	4.4956	5.3828	6.1100	6.1100	6.6324	6.9357	6.6324	6.4793	5.7634	5.1835	4.0991	3.6814	2.4556	1.4513		1.3839	2.4556	2.8352	4.0991	4.8116	4.5875	3.5620	3.5620	2.4556	2.8352	4.0991	4.4956	5.4598	6.0388	6.6324	6.9219	7.0724	6.9219	6.6712	6.6712	6.1100	5.7634	4.8116	4.5875	5.4598	5.4598	6.1100	5.7634	6.0388	6.6324	6.4793	5.7634	5.4598	4.4956
C27	5.7634	6.1100	5.4598	4.5875	4.8116	4.0991	2.8352	2.4556	3.5620	3.5620	4.5875	5.4598	6.1100	6.6712	6.6712	6.9219	7.0724	6.9219	6.6324	6.0388	5.7634	4.8116	4.0991	2.8352	2.4556	1.3839		1.4513	2.4556	3.6814	4.0991	3.5620	2.3482	2.3482	1.4513	2.4556	3.6814	4.4956	5.4598	5.7634	6.4793	6.6324	6.9357	6.6324	6.1100	6.1100	5.3828	5.1835	4.0991	3.5620	4.4956	4.4956	5.3828	5.1835	5.7634	6.4793	6.6324	6.0388	5.4598	4.4956
C28	5.4598	6.1100	5.7634	4.8116	4.5875	3.5620	2.4556	2.8352	4.0991	4.4956	5.4598	6.0388	6.6324	6.9219	6.6712	6.6712	6.9219	7.0724	6.9357	6.6324	6.4793	5.7634	5.1835	4.0991	3.6814	2.4556	1.4513		1.3839	2.4556	2.8352	2.4556	1.4513	2.3482	2.3482	3.5620	4.4956	5.3828	6.1100	6.1100	6.6324	6.4793	6.6324	6.0388	5.4598	5.7634	5.1835	5.3828	4.4956	3.5620	4.0991	3.6814	4.4956	4.0991	4.8116	5.7634	6.1100	5.4598	4.5875	3.5620
C29	4.4956	5.3828	5.1835	4.0991	3.5620	2.3482	1.4513	2.4556	3.6814	4.4956	5.4598	5.7634	6.4793	6.6324	6.1100	6.1100	6.6324	6.9357	7.0724	6.9219	6.6324	6.0388	5.7634	4.8116	4.0991	2.8352	2.4556	1.3839		1.4513	2.4556	2.8352	2.4556	3.5620	3.5620	4.5875	5.4598	6.1100	6.6712	6.6712	6.9219	6.6324	6.4793	5.7634	5.4598	6.0388	5.7634	6.1100	5.4598	4.5875	4.8116	4.0991	4.4956	3.6814	4.0991	5.1835	5.3828	4.4956	3.5620	2.3482
C30	4.0991	5.1835	5.3828	4.4956	3.5620	2.3482	2.3482	3.5620	4.4956	5.3828	6.1100	6.1100	6.6324	6.4793	5.7634	5.4598	6.0388	6.6324	6.9219	7.0724	6.9357	6.6324	6.4793	5.7634	5.1835	4.0991	3.6814	2.4556	1.4513		1.3839	2.4556	2.8352	4.0991	4.4956	5.4598	6.0388	6.6324	6.9219	6.6712	6.6712	6.1100	5.7634	4.8116	4.5875	5.4598	5.4598	6.1100	5.7634	4.8116	4.5875	3.5620	3.5620	2.4556	2.8352	4.0991	4.4956	3.6814	2.4556	1.4513
C31	4.8116	5.7634	6.1100	5.4598	4.5875	3.5620	3.5620	4.5875	5.4598	6.1100	6.6712	6.6712	6.9219	6.6324	6.0388	5.4598	5.7634	6.4793	6.6324	6.9357	7.0724	6.9219	6.6324	6.0388	5.7634	4.8116	4.0991	2.8352	2.4556	1.3839		1.4513	2.4556	3.6814	4.4956	5.4598	5.7634	6.4793	6.6324	6.1100	6.1100	5.3828	5.1835	4.0991	3.5620	4.4956	4.4956	5.3828	5.1835	4.0991	3.5620	2.3482	2.3482	1.4513	2.4556	3.6814	4.4956	4.0991	2.8352	2.4556
C32	5.7634	6.4793	6.6324	6.0388	5.4598	4.4956	4.0991	4.8116	5.7634	6.1100	6.6712	6.9219	7.0724	6.9357	6.6324	6.1100	6.1100	6.6324	6.4793	6.6324	6.9219	6.6712	6.1100	5.4598	5.4598	4.5875	3.5620	2.4556	2.8352	2.4556	1.4513		1.3839	2.4556	3.5620	4.5875	4.8116	5.7634	6.0388	5.4598	5.7634	5.1835	5.3828	4.4956	3.5620	4.0991	3.6814	4.4956	4.0991	2.8352	2.4556	1.4513	2.3482	2.3482	3.5620	4.4956	5.3828	5.1835	4.0991	3.6814
C33	6.0388	6.6324	6.4793	5.7634	5.4598	4.4956	3.6814	4.0991	5.1835	5.3828	6.1100	6.6324	6.9357	7.0724	6.9219	6.6712	6.6712	6.9219	6.6324	6.4793	6.6324	6.1100	5.3828	4.4956	4.4956	3.5620	2.3482	1.4513	2.4556	2.8352	2.4556	1.3839		1.4513	2.3482	3.5620	4.0991	5.1835	5.7634	5.4598	6.0388	5.7634	6.1100	5.4598	4.5875	4.8116	4.0991	4.4956	3.6814	2.4556	2.8352	2.4556	3.5620	3.5620	4.5875	5.4598	6.1100	5.7634	4.8116	4.0991
C34	6.6324	6.9357	6.6324	6.1100	6.1100	5.3828	4.4956	4.4956	5.3828	5.1835	5.7634	6.4793	6.6324	6.9219	7.0724	6.9219	6.6712	6.6712	6.1100	5.7634	6.0388	5.4598	4.4956	3.6814	4.0991	3.5620	2.3482	2.3482	3.5620	4.0991	3.6814	2.4556	1.4513		1.4513	2.4556	2.8352	4.0991	4.8116	4.5875	5.4598	5.4598	6.1100	5.7634	4.8116	4.5875	3.5620	3.5620	2.4556	1.3839	2.4556	2.8352	4.0991	4.4956	5.4598	6.0388	6.6324	6.4793	5.7634	5.1835
C35	6.4793	6.6324	6.0388	5.4598	5.7634	5.1835	4.0991	3.6814	4.4956	4.0991	4.8116	5.7634	6.1100	6.6712	6.9219	7.0724	6.9219	6.6712	6.1100	5.4598	5.4598	4.5875	3.5620	2.4556	2.8352	2.4556	1.4513	2.3482	3.5620	4.4956	4.4956	3.5620	2.3482	1.4513		1.3839	2.4556	3.5620	4.5875	4.8116	5.7634	6.0388	6.6324	6.4793	5.7634	5.4598	4.4956	4.0991	2.8352	2.4556	3.6814	4.0991	5.1835	5.3828	6.1100	6.6324	6.9357	6.6324	6.1100	5.3828
C36	6.6324	6.4793	5.7634	5.4598	6.0388	5.7634	4.8116	4.0991	4.4956	3.6814	4.0991	5.1835	5.3828	6.1100	6.6324	6.9357	6.6324	6.1100	5.3828	4.4956	4.4956	3.5620	2.3482	1.4513	2.4556	2.8352	2.4556	3.5620	4.5875	5.4598	5.4598	4.5875	3.5620	2.4556	1.3839		1.4513	2.3482	3.5620	4.0991	5.1835	5.7634	6.4793	6.6324	6.0388	5.4598	4.4956	3.6814	2.4556	2.8352	4.0991	4.8116	5.7634	6.1100	6.6712	6.9219	7.0724	6.9219	6.6712	6.1100
C37	6.9357	6.6324	6.1100	6.1100	6.6324	6.4793	5.7634	5.1835	5.3828	4.4956	4.4956	5.3828	5.1835	5.7634	6.4793	6.6324	6.0388	5.4598	4.4956	3.6814	4.0991	3.5620	2.3482	2.3482	3.5620	4.0991	3.6814	4.4956	5.4598	6.0388	5.7634	4.8116	4.0991	2.8352	2.4556	1.4513		1.4513	2.4556	2.8352	4.0991	4.8116	5.7634	6.1100	5.4598	4.5875	3.5620	2.4556	1.3839	2.4556	3.5620	4.5875	5.4598	6.1100	6.6712	6.6712	6.9219	7.0724	6.9219	6.6324
C38	6.6324	6.0388	5.4598	5.7634	6.4793	6.6324	6.1100	5.3828	5.1835	4.0991	3.6814	4.4956	4.0991	4.8116	5.7634	6.1100	5.4598	4.5875	3.5620	2.4556	2.8352	2.4556	1.4513	2.3482	3.5620	4.4956	4.4956	5.3828	6.1100	6.6324	6.4793	5.7634	5.1835	4.0991	3.5620	2.3482	1.4513		1.3839	2.4556	3.5620	4.5875	5.4598	6.1100	5.7634	4.8116	4.0991	2.8352	2.4556	3.6814	4.4956	5.4598	6.0388	6.6324	6.9219	6.6712	6.6712	6.9219	7.0724	6.9357
C39	6.4793	5.7634	5.4598	6.0388	6.6324	6.9219	6.6712	6.1100	5.7634	4.8116	4.0991	4.4956	3.6814	4.0991	5.1835	5.3828	4.4956	3.5620	2.3482	1.4513	2.4556	2.8352	2.4556	3.5620	4.5875	5.4598	5.4598	6.1100	6.6712	6.9219	6.6324	6.0388	5.7634	4.8116	4.5875	3.5620	2.4556	1.3839		1.4513	2.3482	3.5620	4.4956	5.3828	5.1835	4.0991	3.6814	2.4556	2.8352	4.0991	4.4956	5.4598	5.7634	6.4793	6.6324	6.1100	6.1100	6.6324	6.9357	7.0724
C40	6.6324	6.1100	6.1100	6.6324	6.9357	7.0724	6.9219	6.6324	6.4793	5.7634	5.1835	5.3828	4.4956	4.4956	5.3828	5.1835	4.0991	3.5620	2.3482	2.3482	3.5620	4.0991	3.6814	4.4956	5.4598	6.0388	5.7634	6.1100	6.6712	6.6712	6.1100	5.4598	5.4598	4.5875	4.8116	4.0991	2.8352	2.4556	1.4513		1.4513	2.4556	3.6814	4.4956	4.0991	2.8352	2.4556	1.3839	2.4556	3.5620	3.5620	4.5875	4.8116	5.7634	6.0388	5.4598	5.7634	6.4793	6.6324	6.9219
C41	6.0388	5.4598	5.7634	6.4793	6.6324	6.9219	7.0724	6.9357	6.6324	6.1100	5.3828	5.1835	4.0991	3.6814	4.4956	4.0991	2.8352	2.4556	1.4513	2.3482	3.5620	4.4956	4.4956	5.3828	6.1100	6.6324	6.4793	6.6324	6.9219	6.6712	6.1100	5.7634	6.0388	5.4598	5.7634	5.1835	4.0991	3.5620	2.3482	1.4513		1.3839	2.4556	3.5620	3.5620	2.4556	2.8352	2.4556	3.6814	4.4956	4.0991	4.8116	4.5875	5.4598	5.4598	4.5875	4.8116	5.7634	6.1100	6.6712
C42	5.7634	5.4598	6.0388	6.6324	6.4793	6.6324	6.9357	7.0724	6.9219	6.6712	6.1100	5.7634	4.8116	4.0991	4.4956	3.6814	2.4556	2.8352	2.4556	3.5620	4.5875	5.4598	5.4598	6.1100	6.6712	6.9219	6.6324	6.4793	6.6324	6.1100	5.3828	5.1835	5.7634	5.4598	6.0388	5.7634	4.8116	4.5875	3.5620	2.4556	1.3839		1.4513	2.3482	2.3482	1.4513	2.4556	2.8352	4.0991	4.4956	3.6814	4.0991	3.5620	4.4956	4.4956	3.5620	4.0991	5.1835	5.3828	6.1100
C43	4.8116	4.5875	5.4598	6.1100	5.7634	6.0388	6.6324	6.9219	6.6712	6.6712	6.1100	5.4598	4.5875	3.5620	3.5620	2.4556	1.3839	2.4556	2.8352	4.0991	4.8116	5.7634	6.0388	6.6324	6.9219	7.0724	6.9357	6.6324	6.4793	5.7634	5.1835	5.3828	6.1100	6.1100	6.6324	6.4793	5.7634	5.4598	4.4956	3.6814	2.4556	1.4513		1.4513	2.3482	2.3482	3.5620	4.0991	5.1835	5.3828	4.4956	4.4956	3.5620	4.0991	3.6814	2.4556	2.8352	4.0991	4.4956	5.4598
C44	4.5875	4.8116	5.7634	6.1100	5.4598	5.4598	6.1100	6.6712	6.6712	6.9219	6.6324	6.0388	5.4598	4.4956	4.0991	2.8352	2.4556	3.6814	4.0991	5.1835	5.7634	6.4793	6.6324	6.9357	7.0724	6.9219	6.6324	6.0388	5.7634	4.8116	4.0991	4.4956	5.4598	5.7634	6.4793	6.6324	6.1100	6.1100	5.3828	4.4956	3.5620	2.3482	1.4513		1.4513	2.3482	3.5620	4.4956	5.3828	5.1835	4.0991	3.6814	2.4556	2.8352	2.4556	1.3839	2.4556	3.5620	3.5620	4.5875
C45	5.4598	5.7634	6.4793	6.6324	6.0388	5.7634	6.1100	6.6712	6.9219	7.0724	6.9357	6.6324	6.1100	5.3828	5.1835	4.0991	3.5620	4.4956	4.4956	5.3828	6.1100	6.6324	6.4793	6.6324	6.9219	6.6712	6.1100	5.4598	5.4598	4.5875	3.5620	3.5620	4.5875	4.8116	5.7634	6.0388	5.4598	5.7634	5.1835	4.0991	3.5620	2.3482	2.3482	1.4513		1.4513	2.4556	3.6814	4.4956	4.0991	2.8352	2.4556	1.3839	2.4556	2.8352	2.4556	3.6814	4.4956	4.0991	4.8116
C46	6.1100	6.1100	6.6324	6.9357	6.6324	6.4793	6.6324	6.9219	7.0724	6.9219	6.6324	6.4793	5.7634	5.1835	5.3828	4.4956	3.5620	4.0991	3.6814	4.4956	5.4598	6.0388	5.7634	6.1100	6.6712	6.6712	6.1100	5.7634	6.0388	5.4598	4.4956	4.0991	4.8116	4.5875	5.4598	5.4598	4.5875	4.8116	4.0991	2.8352	2.4556	1.4513	2.3482	2.3482	1.4513		1.3839	2.4556	3.5620	3.5620	2.4556	2.8352	2.4556	3.6814	4.0991	3.5620	4.4956	5.3828	5.1835	5.7634
C47	6.6712	6.6712	6.9219	7.0724	6.9219	6.6324	6.4793	6.6324	6.9357	6.6324	6.4793	6.6324	6.0388	5.7634	6.1100	5.4598	4.5875	4.8116	4.0991	4.4956	5.4598	5.7634	5.1835	5.3828	6.1100	6.1100	5.3828	5.1835	5.7634	5.4598	4.4956	3.6814	4.0991	3.5620	4.4956	4.4956	3.5620	4.0991	3.6814	2.4556	2.8352	2.4556	3.5620	3.5620	2.4556	1.3839		1.4513	2.3482	2.3482	1.4513	2.4556	2.8352	4.0991	4.8116	4.5875	5.4598	6.1100	5.7634	6.0388
C48	6.9219	6.6712	6.6712	6.9219	7.0724	6.9357	6.6324	6.4793	6.6324	6.0388	5.7634	6.1100	5.4598	5.4598	6.1100	5.7634	4.8116	4.5875	3.5620	3.5620	4.5875	4.8116	4.0991	4.4956	5.4598	5.7634	5.1835	5.3828	6.1100	6.1100	5.3828	4.4956	4.4956	3.5620	4.0991	3.6814	2.4556	2.8352	2.4556	1.3839	2.4556	2.8352	4.0991	4.4956	3.6814	2.4556	1.4513		1.4513	2.3482	2.3482	3.5620	4.0991	5.1835	5.7634	5.4598	6.0388	6.6324	6.4793	6.6324
C49	7.0724	6.9219	6.6712	6.6712	6.9219	6.6324	6.0388	5.7634	6.1100	5.4598	5.4598	6.1100	5.7634	6.0388	6.6324	6.4793	5.7634	5.4598	4.4956	4.0991	4.8116	4.5875	3.5620	3.5620	4.5875	4.8116	4.0991	4.4956	5.4598	5.7634	5.1835	4.0991	3.6814	2.4556	2.8352	2.4556	1.3839	2.4556	2.8352	2.4556	3.6814	4.0991	5.1835	5.3828	4.4956	3.5620	2.3482	1.4513		1.4513	2.3482	3.5620	4.4956	5.3828	6.1100	6.1100	6.6324	6.9357	6.6324	6.4793
C50	6.9219	7.0724	6.9219	6.6712	6.6712	6.1100	5.4598	5.4598	6.1100	5.7634	6.0388	6.6324	6.4793	6.6324	6.9357	6.6324	6.1100	6.1100	5.3828	5.1835	5.7634	5.4598	4.4956	4.0991	4.8116	4.5875	3.5620	3.5620	4.5875	4.8116	4.0991	2.8352	2.4556	1.3839	2.4556	2.8352	2.4556	3.6814	4.0991	3.5620	4.4956	4.4956	5.3828	5.1835	4.0991	3.5620	2.3482	2.3482	1.4513		1.4513	2.4556	3.6814	4.4956	5.4598	5.7634	6.4793	6.6324	6.0388	5.7634
C51	6.6712	6.9219	7.0724	6.9219	6.6712	6.1100	5.7634	6.0388	6.6324	6.4793	6.6324	6.9357	6.6324	6.4793	6.6324	6.0388	5.4598	5.7634	5.1835	5.3828	6.1100	6.1100	5.3828	5.1835	5.7634	5.4598	4.4956	4.0991	4.8116	4.5875	3.5620	2.4556	2.8352	2.4556	3.6814	4.0991	3.5620	4.4956	4.4956	3.5620	4.0991	3.6814	4.4956	4.0991	2.8352	2.4556	1.4513	2.3482	2.3482	1.4513		1.3839	2.4556	3.5620	4.5875	4.8116	5.7634	6.1100	5.4598	5.4598
C52	6.1100	6.6324	6.9357	6.6324	6.1100	5.3828	5.1835	5.7634	6.4793	6.6324	6.9219	7.0724	6.9219	6.6324	6.4793	5.7634	5.4598	6.0388	5.7634	6.1100	6.6712	6.6712	6.1100	5.7634	6.0388	5.4598	4.4956	3.6814	4.0991	3.5620	2.3482	1.4513	2.4556	2.8352	4.0991	4.8116	4.5875	5.4598	5.4598	4.5875	4.8116	4.0991	4.4956	3.6814	2.4556	2.8352	2.4556	3.5620	3.5620	2.4556	1.3839		1.4513	2.3482	3.5620	4.0991	5.1835	5.3828	4.4956	4.4956
C53	5.4598	6.0388	6.6324	6.4793	5.7634	5.1835	5.3828	6.1100	6.6324	6.9357	7.0724	6.9219	6.6712	6.1100	5.7634	4.8116	4.5875	5.4598	5.4598	6.1100	6.6712	6.9219	6.6324	6.4793	6.6324	6.1100	5.3828	4.4956	4.4956	3.5620	2.3482	2.3482	3.5620	4.0991	5.1835	5.7634	5.4598	6.0388	5.7634	4.8116	4.5875	3.5620	3.5620	2.4556	1.3839	2.4556	2.8352	4.0991	4.4956	3.6814	2.4556	1.4513		1.4513	2.4556	2.8352	4.0991	4.4956	3.6814	4.0991
C54	4.5875	5.4598	6.1100	5.7634	4.8116	4.0991	4.4956	5.4598	6.0388	6.6324	6.9219	6.6712	6.6712	6.1100	5.4598	4.5875	4.8116	5.7634	6.0388	6.6324	6.9219	7.0724	6.9357	6.6324	6.4793	5.7634	5.1835	4.0991	3.6814	2.4556	1.4513	2.3482	3.5620	4.4956	5.3828	6.1100	6.1100	6.6324	6.4793	5.7634	5.4598	4.4956	4.0991	2.8352	2.4556	3.6814	4.0991	5.1835	5.3828	4.4956	3.5620	2.3482	1.4513		1.3839	2.4556	3.5620	3.5620	2.4556	2.8352
C55	3.5620	4.4956	5.3828	5.1835	4.0991	3.6814	4.4956	5.4598	5.7634	6.4793	6.6324	6.1100	6.1100	5.3828	4.4956	3.5620	4.0991	5.1835	5.7634	6.4793	6.6324	6.9357	7.0724	6.9219	6.6324	6.0388	5.7634	4.8116	4.0991	2.8352	2.4556	3.5620	4.5875	5.4598	6.1100	6.6712	6.6712	6.9219	6.6324	6.0388	5.4598	4.4956	3.6814	2.4556	2.8352	4.0991	4.8116	5.7634	6.1100	5.4598	4.5875	3.5620	2.4556	1.3839		1.4513	2.3482	2.3482	1.4513	2.4556
C56	3.5620	4.0991	5.1835	5.3828	4.4956	4.4956	5.3828	6.1100	6.1100	6.6324	6.4793	5.7634	5.4598	4.4956	3.6814	2.4556	2.8352	4.0991	4.8116	5.7634	6.0388	6.6324	6.9219	7.0724	6.9357	6.6324	6.4793	5.7634	5.1835	4.0991	3.6814	4.4956	5.4598	6.0388	6.6324	6.9219	6.6712	6.6712	6.1100	5.4598	4.5875	3.5620	2.4556	1.3839	2.4556	3.5620	4.5875	5.4598	6.1100	5.7634	4.8116	4.0991	2.8352	2.4556	1.4513		1.4513	2.3482	2.3482	3.5620
C57	2.4556	2.8352	4.0991	4.4956	3.6814	4.0991	5.1835	5.7634	5.4598	6.0388	5.7634	4.8116	4.5875	3.5620	2.4556	1.3839	2.4556	3.5620	4.5875	5.4598	5.4598	6.1100	6.6712	6.9219	6.6324	6.4793	6.6324	6.1100	5.3828	4.4956	4.4956	5.3828	6.1100	6.6324	6.9357	7.0724	6.9219	6.6712	6.1100	5.7634	4.8116	4.0991	2.8352	2.4556	3.6814	4.4956	5.4598	6.0388	6.6324	6.4793	5.7634	5.1835	4.0991	3.5620	2.3482	1.4513		1.4513	2.3482	3.5620
C58	1.3839	2.4556	3.5620	3.5620	2.4556	2.8352	4.0991	4.8116	4.5875	5.4598	5.4598	4.5875	4.8116	4.0991	2.8352	2.4556	3.6814	4.4956	5.4598	6.0388	5.7634	6.1100	6.6712	6.6712	6.1100	5.7634	6.0388	5.4598	4.4956	3.6814	4.0991	5.1835	5.7634	6.4793	6.6324	6.9219	7.0724	6.9219	6.6324	6.4793	5.7634	5.1835	4.0991	3.5620	4.4956	5.3828	6.1100	6.6324	6.9357	6.6324	6.1100	5.3828	4.4956	3.5620	2.3482	2.3482	1.4513		1.4513	2.4556
C59	2.4556	3.6814	4.4956	4.0991	2.8352	2.4556	3.5620	4.5875	4.8116	5.7634	6.0388	5.4598	5.7634	5.1835	4.0991	3.5620	4.4956	5.3828	6.1100	6.6324	6.4793	6.6324	6.9219	6.6712	6.1100	5.4598	5.4598	4.5875	3.5620	2.4556	2.8352	4.0991	4.8116	5.7634	6.1100	6.6712	6.9219	7.0724	6.9357	6.6324	6.1100	5.3828	4.4956	3.5620	4.0991	5.1835	5.7634	6.4793	6.6324	6.0388	5.4598	4.4956	3.6814	2.4556	1.4513	2.3482	2.3482	1.4513		1.3839
C60	2.8352	4.0991	4.4956	3.6814	2.4556	1.4513	2.3482	3.5620	4.0991	5.1835	5.7634	5.4598	6.0388	5.7634	4.8116	4.5875	5.4598	6.1100	6.6712	6.9219	6.6324	6.4793	6.6324	6.1100	5.3828	4.4956	4.4956	3.5620	2.3482	1.4513	2.4556	3.6814	4.0991	5.1835	5.3828	6.1100	6.6324	6.9357	7.0724	6.9219	6.6712	6.1100	5.4598	4.5875	4.8116	5.7634	6.0388	6.6324	6.4793	5.7634	5.4598	4.4956	4.0991	2.8352	2.4556	3.5620	3.5620	2.4556	1.3839

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 B1B95/3-21G 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 -340.270 0.000 0.000 y 0.000 -340.270 0.000 z 0.000 0.000 -340.270

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	63.996	0.000	0.000
y	0.000	63.997	0.000
z	0.000	0.000	63.996

<r²> (average value of r²) Ų

<r2>	4714.266
(<r2>)1/2	68.661