All results from a given calculation for C₆₀ (Buckminsterfullerene)

Energy calculated at B3PW91/6-31G*

	hartrees
Energy at 0K	-2285.367283
Energy at 298.15K	-2285.365839
HF Energy	-2285.367283
Nuclear repulsion energy	8347.067041

The energy at 298.15K was derived from the energy at 0K and an integrated heat capacity that used the calculated vibrational frequencies.

Vibrational Frequencies calculated at B3PW91/6-31G*

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	1530	1464	0.00
2	Ag	501	480	0.00
3	Au	961	919	0.00
4	T1g	1317	1260	0.00
4	T1g	1317	1260	0.00
4	T1g	1317	1260	0.00
5	T1g	839	803	0.00
5	T1g	839	803	0.00
5	T1g	839	803	0.00
6	T1g	573	548	0.00
6	T1g	573	548	0.00
6	T1g	573	548	0.00
7	T1u	1487	1423	12.42
7	T1u	1487	1423	12.42
7	T1u	1487	1423	12.42
8	T1u	1232	1178	9.37
8	T1u	1232	1178	9.37
8	T1u	1232	1178	9.37
9	T1u	595	569	11.34
9	T1u	595	569	11.34
9	T1u	595	569	11.34
10	T1u	539	516	28.24
10	T1u	539	516	28.24
10	T1u	539	516	28.24
11	T2g	1392	1332	0.00
11	T2g	1392	1332	0.00
11	T2g	1392	1332	0.00
12	T2g	804	769	0.00
12	T2g	804	769	0.00
12	T2g	804	769	0.00
13	T2g	732	700	0.00
13	T2g	732	700	0.00
13	T2g	732	700	0.00
14	T2g	565	541	0.00
14	T2g	565	541	0.00
14	T2g	565	541	0.00
15	T2u	1584	1515	0.00
15	T2u	1584	1515	0.00
15	T2u	1584	1515	0.00
16	T2u	1224	1171	0.00
16	T2u	1224	1171	0.00
16	T2u	1224	1171	0.00
17	T2u	992	949	0.00
17	T2u	992	949	0.00
17	T2u	992	949	0.00
18	T2u	723	691	0.00
18	T2u	723	691	0.00
81	T2u	723	691	0.00
19	T2u	345	330	0.00
19	T2u	345	330	0.00
19	T2u	345	330	0.00
20	Gg	1557	1490	0.00
20	Gg	1557	1490	0.00
20	Gg	1557	1490	0.00
20	Gg	1557	1490	0.00
21	Gg	1348	1289	0.00
21	Gg	1348	1289	0.00
21	Gg	1348	1289	0.00
21	Gg	1348	1289	0.00
22	Gg	1115	1067	0.00
22	Gg	1115	1067	0.00
22	Gg	1115	1067	0.00
22	Gg	1115	1067	0.00
23	Gg	754	721	0.00
23	Gg	754	721	0.00
23	Gg	754	721	0.00
23	Gg	754	721	0.00
24	Gg	577	552	0.00
24	Gg	577	552	0.00
24	Gg	577	552	0.00
24	Gg	577	552	0.00
25	Gg	491	470	0.00
25	Gg	491	470	0.00
25	Gg	491	470	0.00
25	Gg	491	470	0.00
26	Gu	1488	1423	0.00
26	Gu	1488	1423	0.00
26	Gu	1488	1423	0.00
26	Gu	1488	1423	0.00
27	Gu	1356	1297	0.00
27	Gu	1356	1297	0.00
27	Gu	1356	1297	0.00
27	Gu	1356	1297	0.00
28	Gu	993	950	0.00
28	Gu	993	950	0.00
28	Gu	993	950	0.00
28	Gu	993	950	0.00
29	Gu	765	732	0.00
29	Gu	765	732	0.00
29	Gu	765	732	0.00
29	Gu	765	732	0.00
30	Gu	747	715	0.00
30	Gu	747	715	0.00
30	Gu	747	715	0.00
30	Gu	747	715	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	1634	1564	0.00
32	Hg	1634	1564	0.00
32	Hg	1634	1564	0.00
32	Hg	1634	1564	0.00
32	Hg	1634	1564	0.00
33	Hg	1480	1416	0.00
33	Hg	1480	1416	0.00
33	Hg	1480	1416	0.00
33	Hg	1480	1416	0.00
33	Hg	1480	1416	0.00
34	Hg	1300	1244	0.00
34	Hg	1300	1244	0.00
34	Hg	1300	1244	0.00
34	Hg	1300	1244	0.00
34	Hg	1300	1244	0.00
35	Hg	1138	1089	0.00
35	Hg	1138	1089	0.00
35	Hg	1138	1089	0.00
35	Hg	1138	1089	0.00
35	Hg	1138	1089	0.00
36	Hg	796	762	0.00
36	Hg	796	762	0.00
36	Hg	796	762	0.00
36	Hg	796	762	0.00
36	Hg	796	762	0.00
37	Hg	719	688	0.00
37	Hg	719	688	0.00
37	Hg	719	688	0.00
37	Hg	719	688	0.00
37	Hg	719	688	0.00
38	Hg	439	420	0.00
38	Hg	439	420	0.00
38	Hg	439	420	0.00
38	Hg	439	420	0.00
38	Hg	439	420	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	1626	1555	0.00
40	Hu	1626	1555	0.00
40	Hu	1626	1555	0.00
40	Hu	1626	1555	0.00
40	Hu	1626	1555	0.00
41	Hu	1388	1328	0.00
41	Hu	1388	1328	0.00
41	Hu	1388	1328	0.00
41	Hu	1388	1328	0.00
41	Hu	1388	1328	0.00
42	Hu	1259	1205	0.00
42	Hu	1259	1205	0.00
42	Hu	1259	1205	0.00
42	Hu	1259	1205	0.00
42	Hu	1259	1205	0.00
43	Hu	742	710	0.00
43	Hu	742	710	0.00
43	Hu	742	710	0.00
43	Hu	742	710	0.00
43	Hu	742	710	0.00
44	Hu	678	649	0.00
44	Hu	678	649	0.00
44	Hu	678	649	0.00
44	Hu	678	649	0.00
44	Hu	678	649	0.00
45	Hu	542	519	0.00
45	Hu	542	519	0.00
45	Hu	542	519	0.00
45	Hu	542	519	0.00
45	Hu	542	519	0.00
46	Hu	410	392	0.00
46	Hu	410	392	0.00
46	Hu	410	392	0.00
46	Hu	410	392	0.00
46	Hu	410	392	0.00

Unscaled Zero Point Vibrational Energy (zpe) 83052.8 cm^-1
Scaled (by 0.9567) Zero Point Vibrational Energy (zpe) 79456.6 cm^-1
See section III.C.1 List or set vibrational scaling factors to change the scale factors used here.
See section III.C.2 Calculate a vibrational scaling factor for a given set of molecules to determine the least squares best scaling factor.

Rotational Constants (cm^-1) from geometry optimized at B3PW91/6-31G*

A	B	C
0.00280	0.00280	0.00280

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

Geometric Data calculated at B3PW91/6-31G*

Point Group is I_h

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.233	3.320
C2	-1.172	0.381	3.320
C3	-0.725	-0.997	3.320
C4	0.725	-0.997	3.320
C5	1.172	0.381	3.320
C6	2.300	0.747	2.587
C7	3.024	-0.250	1.825
C8	2.594	-1.575	1.825
C9	1.421	-1.956	2.587
C10	0.697	-2.954	1.825
C11	-0.697	-2.954	1.825
C12	-1.421	-1.956	2.587
C13	-2.594	-1.575	1.825
C14	-3.024	-0.250	1.825
C15	-2.300	0.747	2.587
C16	-2.300	1.980	1.825
C17	-3.024	1.745	0.593
C18	-3.472	0.366	0.593
C19	-3.472	-0.366	-0.593
C20	-3.024	-1.745	-0.593
C21	-2.594	-2.337	0.593
C22	-1.421	-3.189	0.593
C23	-0.725	-3.415	-0.593
C24	0.725	-3.415	-0.593
C25	1.421	-3.189	0.593
C26	2.594	-2.337	0.593
C27	3.024	-1.745	-0.593
C28	3.472	-0.366	-0.593
C29	3.472	0.366	0.593
C30	3.024	1.745	0.593
C31	2.594	2.337	-0.593
C32	2.594	1.575	-1.825
C33	3.024	0.250	-1.825
C34	2.300	-0.747	-2.587
C35	2.300	-1.980	-1.825
C36	1.172	-2.799	-1.825
C37	0.000	-2.418	-2.587
C38	-1.172	-2.799	-1.825
C39	-2.300	-1.980	-1.825
C40	-2.300	-0.747	-2.587
C41	-3.024	0.250	-1.825
C42	-2.594	1.575	-1.825
C43	-2.594	2.337	-0.593
C44	-1.421	3.189	-0.593
C45	-0.697	2.954	-1.825
C46	-1.421	1.956	-2.587
C47	-0.725	0.997	-3.320
C48	-1.172	-0.381	-3.320
C49	0.000	-1.233	-3.320
C50	1.172	-0.381	-3.320
C51	0.725	0.997	-3.320
C52	1.421	1.956	-2.587
C53	0.697	2.954	-1.825
C54	1.421	3.189	-0.593
C55	0.725	3.415	0.593
C56	-0.725	3.415	0.593
C57	-1.172	2.799	1.825
C58	0.000	2.418	2.587
C59	1.172	2.799	1.825
C60	2.300	1.980	1.825

Atom - Atom Distances (Å)

	C1	C2	C3	C4	C5	C6	C7	C8	C9	C10	C11	C12	C13	C14	C15	C16	C17	C18	C19	C20	C21	C22	C23	C24	C25	C26	C27	C28	C29	C30	C31	C32	C33	C34	C35	C36	C37	C38	C39	C40	C41	C42	C43	C44	C45	C46	C47	C48	C49	C50	C51	C52	C53	C54	C55	C56	C57	C58	C59	C60
C1		1.4492	2.3449	2.3449	1.4492	2.4619	3.6849	4.1044	3.5674	4.4994	4.4994	3.5674	4.1044	3.6849	2.4619	2.8426	4.1044	4.4994	5.4699	5.7722	5.1875	5.3861	6.1186	6.1186	5.3861	5.1875	5.7722	5.4699	4.4994	4.1044	4.8223	5.7722	6.0486	6.6410	6.4872	6.6410	6.9443	6.6410	6.4872	6.6410	6.0486	5.7722	4.8223	4.5994	5.4699	6.1186	6.6832	6.9328	7.0827	6.9328	6.6832	6.1186	5.4699	4.5994	3.5674	3.5674	2.4619	1.3933	2.4619	2.8426
C2	1.4492		1.4492	2.3449	2.3449	3.5674	4.4994	4.4994	3.5674	4.1044	3.6849	2.4619	2.8426	2.4619	1.3933	2.4619	3.5674	3.5674	4.5994	4.8223	4.1044	4.4994	5.4699	5.7722	5.1875	5.3861	6.1186	6.1186	5.3861	5.1875	5.7722	6.4872	6.6410	6.9443	6.6410	6.4872	6.6410	6.0486	5.7722	6.1186	5.4699	5.4699	4.5994	4.8223	5.7722	6.1186	6.6832	6.6832	6.9328	7.0827	6.9328	6.6410	6.0486	5.4699	4.4994	4.1044	2.8426	2.4619	3.6849	4.1044
C3	2.3449	1.4492		1.4492	2.3449	3.5674	4.1044	3.6849	2.4619	2.8426	2.4619	1.3933	2.4619	2.8426	2.4619	3.6849	4.4994	4.1044	4.8223	4.5994	3.5674	3.5674	4.5994	4.8223	4.1044	4.4994	5.4699	5.7722	5.1875	5.3861	6.1186	6.6410	6.4872	6.6410	6.0486	5.7722	6.1186	5.4699	5.4699	6.1186	5.7722	6.0486	5.4699	5.7722	6.4872	6.6410	6.9328	6.6832	6.6832	6.9328	7.0827	6.9443	6.6410	6.1186	5.3861	5.1875	4.1044	3.5674	4.4994	4.4994
C4	2.3449	2.3449	1.4492		1.4492	2.4619	2.8426	2.4619	1.3933	2.4619	2.8426	2.4619	3.6849	4.1044	3.5674	4.4994	5.3861	5.1875	5.7722	5.4699	4.4994	4.1044	4.8223	4.5994	3.5674	3.5674	4.5994	4.8223	4.1044	4.4994	5.4699	6.0486	5.7722	6.1186	5.4699	5.4699	6.1186	5.7722	6.0486	6.6410	6.4872	6.6410	6.1186	6.1186	6.6410	6.9443	7.0827	6.9328	6.6832	6.6832	6.9328	6.6410	6.4872	5.7722	5.1875	5.3861	4.4994	3.5674	4.1044	3.6849
C5	1.4492	2.3449	2.3449	1.4492		1.3933	2.4619	2.8426	2.4619	3.6849	4.1044	3.5674	4.4994	4.4994	3.5674	4.1044	5.1875	5.3861	6.1186	6.1186	5.3861	5.1875	5.7722	5.4699	4.4994	4.1044	4.8223	4.5994	3.5674	3.5674	4.5994	5.4699	5.4699	6.1186	5.7722	6.0486	6.6410	6.4872	6.6410	6.9443	6.6410	6.4872	5.7722	5.4699	6.0486	6.6410	6.9328	7.0827	6.9328	6.6832	6.6832	6.1186	5.7722	4.8223	4.1044	4.4994	3.6849	2.4619	2.8426	2.4619
C6	2.4619	3.5674	3.5674	2.4619	1.3933		1.4492	2.4619	2.8426	4.1044	4.8223	4.5994	5.4699	5.4699	4.5994	4.8223	5.7722	6.1186	6.6832	6.6832	6.1186	5.7722	6.0486	5.4699	4.4994	3.6849	4.1044	3.5674	2.3449	2.3449	3.5674	4.4994	4.4994	5.3861	5.1875	5.7722	6.4872	6.6410	6.9328	7.0827	6.9328	6.6410	6.0486	5.4699	5.7722	6.4872	6.6410	6.9443	6.6410	6.1186	6.1186	5.3861	5.1875	4.1044	3.6849	4.4994	4.1044	2.8426	2.4619	1.4492
C7	3.6849	4.4994	4.1044	2.8426	2.4619	1.4492		1.3933	2.4619	3.5674	4.5994	4.8223	5.7722	6.0486	5.4699	5.7722	6.4872	6.6410	6.9328	6.6832	6.1186	5.4699	5.4699	4.5994	3.5674	2.4619	2.8426	2.4619	1.4492	2.3449	3.5674	4.1044	3.6849	4.4994	4.1044	4.8223	5.7722	6.1186	6.6832	6.9328	7.0827	6.9443	6.6410	6.1186	6.1186	6.6410	6.4872	6.6410	6.0486	5.4699	5.7722	5.1875	5.3861	4.4994	4.4994	5.3861	5.1875	4.1044	3.5674	2.3449
C8	4.1044	4.4994	3.6849	2.4619	2.8426	2.4619	1.3933		1.4492	2.3449	3.5674	4.1044	5.1875	5.7722	5.4699	6.0486	6.6410	6.4872	6.6410	6.1186	5.3861	4.4994	4.4994	3.5674	2.3449	1.4492	2.4619	2.8426	2.4619	3.5674	4.5994	4.8223	4.1044	4.4994	3.6849	4.1044	5.1875	5.3861	6.1186	6.6410	6.9443	7.0827	6.9328	6.6832	6.6832	6.9328	6.6410	6.4872	5.7722	5.4699	6.0486	5.7722	6.1186	5.4699	5.4699	6.1186	5.7722	4.8223	4.5994	3.5674
C9	3.5674	3.5674	2.4619	1.3933	2.4619	2.8426	2.4619	1.4492		1.4492	2.4619	2.8426	4.1044	4.8223	4.5994	5.4699	6.1186	5.7722	6.0486	5.4699	4.4994	3.6849	4.1044	3.5674	2.3449	2.3449	3.5674	4.1044	3.6849	4.4994	5.4699	5.7722	5.1875	5.3861	4.4994	4.4994	5.3861	5.1875	5.7722	6.4872	6.6410	6.9328	6.6832	6.6832	6.9328	7.0827	6.9443	6.6410	6.1186	6.1186	6.6410	6.4872	6.6410	6.0486	5.7722	6.1186	5.4699	4.5994	4.8223	4.1044
C10	4.4994	4.1044	2.8426	2.4619	3.6849	4.1044	3.5674	2.3449	1.4492		1.3933	2.4619	3.5674	4.5994	4.8223	5.7722	6.1186	5.4699	5.4699	4.5994	3.5674	2.4619	2.8426	2.4619	1.4492	2.3449	3.5674	4.4994	4.4994	5.3861	6.1186	6.1186	5.3861	5.1875	4.1044	3.6849	4.4994	4.1044	4.8223	5.7722	6.1186	6.6832	6.6832	6.9328	7.0827	6.9328	6.6410	6.0486	5.4699	5.7722	6.4872	6.6410	6.9443	6.6410	6.4872	6.6410	6.0486	5.4699	5.7722	5.1875
C11	4.4994	3.6849	2.4619	2.8426	4.1044	4.8223	4.5994	3.5674	2.4619	1.3933		1.4492	2.3449	3.5674	4.1044	5.1875	5.3861	4.4994	4.4994	3.5674	2.3449	1.4492	2.4619	2.8426	2.4619	3.5674	4.5994	5.4699	5.4699	6.1186	6.6832	6.6832	6.1186	5.7722	4.8223	4.1044	4.4994	3.6849	4.1044	5.1875	5.3861	6.1186	6.1186	6.6410	6.9443	6.6410	6.4872	5.7722	5.4699	6.0486	6.6410	6.9328	7.0827	6.9328	6.6410	6.4872	5.7722	5.4699	6.0486	5.7722
C12	3.5674	2.4619	1.3933	2.4619	3.5674	4.5994	4.8223	4.1044	2.8426	2.4619	1.4492		1.4492	2.4619	2.8426	4.1044	4.4994	3.6849	4.1044	3.5674	2.3449	2.3449	3.5674	4.1044	3.6849	4.4994	5.4699	6.0486	5.7722	6.1186	6.6832	6.9328	6.6410	6.4872	5.7722	5.1875	5.3861	4.4994	4.4994	5.3861	5.1875	5.7722	5.4699	6.0486	6.6410	6.4872	6.6410	6.1186	6.1186	6.6410	6.9443	7.0827	6.9328	6.6832	6.1186	5.7722	4.8223	4.5994	5.4699	5.4699
C13	4.1044	2.8426	2.4619	3.6849	4.4994	5.4699	5.7722	5.1875	4.1044	3.5674	2.3449	1.4492		1.3933	2.4619	3.5674	3.5674	2.4619	2.8426	2.4619	1.4492	2.3449	3.5674	4.4994	4.4994	5.3861	6.1186	6.6410	6.4872	6.6410	6.9328	7.0827	6.9443	6.6410	6.1186	5.3861	5.1875	4.1044	3.6849	4.4994	4.1044	4.8223	4.5994	5.4699	6.1186	5.7722	6.0486	5.4699	5.7722	6.4872	6.6410	6.9328	6.6832	6.6832	6.1186	5.4699	4.5994	4.8223	5.7722	6.0486
C14	3.6849	2.4619	2.8426	4.1044	4.4994	5.4699	6.0486	5.7722	4.8223	4.5994	3.5674	2.4619	1.3933		1.4492	2.3449	2.3449	1.4492	2.4619	2.8426	2.4619	3.5674	4.5994	5.4699	5.4699	6.1186	6.6832	6.9328	6.6410	6.4872	6.6410	6.9443	7.0827	6.9328	6.6832	6.1186	5.7722	4.8223	4.1044	4.4994	3.6849	4.1044	3.5674	4.4994	5.3861	5.1875	5.7722	5.4699	6.0486	6.6410	6.4872	6.6410	6.1186	6.1186	5.3861	4.4994	3.5674	4.1044	5.1875	5.7722
C15	2.4619	1.3933	2.4619	3.5674	3.5674	4.5994	5.4699	5.4699	4.5994	4.8223	4.1044	2.8426	2.4619	1.4492		1.4492	2.3449	2.3449	3.5674	4.1044	3.6849	4.4994	5.4699	6.0486	5.7722	6.1186	6.6832	6.6832	6.1186	5.7722	6.0486	6.6410	6.9328	7.0827	6.9328	6.6410	6.4872	5.7722	5.1875	5.3861	4.4994	4.4994	3.5674	4.1044	5.1875	5.3861	6.1186	6.1186	6.6410	6.9443	6.6410	6.4872	5.7722	5.4699	4.4994	3.6849	2.4619	2.8426	4.1044	4.8223
C16	2.8426	2.4619	3.6849	4.4994	4.1044	4.8223	5.7722	6.0486	5.4699	5.7722	5.1875	4.1044	3.5674	2.3449	1.4492		1.4492	2.3449	3.5674	4.4994	4.4994	5.3861	6.1186	6.6410	6.4872	6.6410	6.9328	6.6832	6.1186	5.4699	5.4699	6.1186	6.6832	6.9328	7.0827	6.9443	6.6410	6.1186	5.3861	5.1875	4.1044	3.6849	2.4619	2.8426	4.1044	4.4994	5.4699	5.7722	6.4872	6.6410	6.0486	5.7722	4.8223	4.5994	3.5674	2.4619	1.3933	2.4619	3.5674	4.5994
C17	4.1044	3.5674	4.4994	5.3861	5.1875	5.7722	6.4872	6.6410	6.1186	6.1186	5.3861	4.4994	3.5674	2.3449	2.3449	1.4492		1.4492	2.4619	3.6849	4.1044	5.1875	5.7722	6.4872	6.6410	6.9443	7.0827	6.9328	6.6410	6.0486	5.7722	6.1186	6.6832	6.6832	6.9328	6.6410	6.0486	5.4699	4.4994	4.1044	2.8426	2.4619	1.3933	2.4619	3.5674	3.5674	4.5994	4.8223	5.7722	6.1186	5.4699	5.4699	4.5994	4.8223	4.1044	2.8426	2.4619	3.6849	4.4994	5.4699
C18	4.4994	3.5674	4.1044	5.1875	5.3861	6.1186	6.6410	6.4872	5.7722	5.4699	4.4994	3.6849	2.4619	1.4492	2.3449	2.3449	1.4492		1.3933	2.4619	2.8426	4.1044	4.8223	5.7722	6.0486	6.6410	6.9328	7.0827	6.9443	6.6410	6.4872	6.6410	6.9328	6.6832	6.6832	6.1186	5.4699	4.5994	3.5674	3.5674	2.4619	2.8426	2.4619	3.6849	4.4994	4.1044	4.8223	4.5994	5.4699	6.1186	5.7722	6.0486	5.4699	5.7722	5.1875	4.1044	3.5674	4.4994	5.3861	6.1186
C19	5.4699	4.5994	4.8223	5.7722	6.1186	6.6832	6.9328	6.6410	6.0486	5.4699	4.4994	4.1044	2.8426	2.4619	3.5674	3.5674	2.4619	1.3933		1.4492	2.4619	3.6849	4.1044	5.1875	5.7722	6.4872	6.6410	6.9443	7.0827	6.9328	6.6410	6.4872	6.6410	6.1186	6.1186	5.3861	4.4994	3.5674	2.3449	2.3449	1.4492	2.4619	2.8426	4.1044	4.4994	3.6849	4.1044	3.5674	4.4994	5.3861	5.1875	5.7722	5.4699	6.0486	5.7722	4.8223	4.5994	5.4699	6.1186	6.6832
C20	5.7722	4.8223	4.5994	5.4699	6.1186	6.6832	6.6832	6.1186	5.4699	4.5994	3.5674	3.5674	2.4619	2.8426	4.1044	4.4994	3.6849	2.4619	1.4492		1.3933	2.4619	2.8426	4.1044	4.8223	5.7722	6.0486	6.6410	6.9328	7.0827	6.9443	6.6410	6.4872	5.7722	5.4699	4.4994	3.6849	2.4619	1.4492	2.3449	2.3449	3.5674	4.1044	5.1875	5.3861	4.4994	4.4994	3.5674	4.1044	5.1875	5.3861	6.1186	6.1186	6.6410	6.4872	5.7722	5.4699	6.0486	6.6410	6.9328
C21	5.1875	4.1044	3.5674	4.4994	5.3861	6.1186	6.1186	5.3861	4.4994	3.5674	2.3449	2.3449	1.4492	2.4619	3.6849	4.4994	4.1044	2.8426	2.4619	1.3933		1.4492	2.4619	3.6849	4.1044	5.1875	5.7722	6.4872	6.6410	6.9443	7.0827	6.9328	6.6410	6.0486	5.4699	4.4994	4.1044	2.8426	2.4619	3.5674	3.5674	4.5994	4.8223	5.7722	6.1186	5.4699	5.4699	4.5994	4.8223	5.7722	6.1186	6.6832	6.6832	6.9328	6.6410	6.0486	5.4699	5.7722	6.4872	6.6410
C22	5.3861	4.4994	3.5674	4.1044	5.1875	5.7722	5.4699	4.4994	3.6849	2.4619	1.4492	2.3449	2.3449	3.5674	4.4994	5.3861	5.1875	4.1044	3.6849	2.4619	1.4492		1.3933	2.4619	2.8426	4.1044	4.8223	5.7722	6.0486	6.6410	6.9328	6.6832	6.1186	5.4699	4.5994	3.5674	3.5674	2.4619	2.8426	4.1044	4.4994	5.4699	5.7722	6.4872	6.6410	6.0486	5.7722	4.8223	4.5994	5.4699	6.1186	6.6832	6.9328	7.0827	6.9443	6.6410	6.1186	6.1186	6.6410	6.4872
C23	6.1186	5.4699	4.5994	4.8223	5.7722	6.0486	5.4699	4.4994	4.1044	2.8426	2.4619	3.5674	3.5674	4.5994	5.4699	6.1186	5.7722	4.8223	4.1044	2.8426	2.4619	1.3933		1.4492	2.4619	3.6849	4.1044	5.1875	5.7722	6.4872	6.6410	6.1186	5.3861	4.4994	3.5674	2.3449	2.3449	1.4492	2.4619	3.6849	4.4994	5.4699	6.0486	6.6410	6.4872	5.7722	5.1875	4.1044	3.5674	4.4994	5.3861	6.1186	6.6410	6.9443	7.0827	6.9328	6.6832	6.6832	6.9328	6.6410
C24	6.1186	5.7722	4.8223	4.5994	5.4699	5.4699	4.5994	3.5674	3.5674	2.4619	2.8426	4.1044	4.4994	5.4699	6.0486	6.6410	6.4872	5.7722	5.1875	4.1044	3.6849	2.4619	1.4492		1.3933	2.4619	2.8426	4.1044	4.8223	5.7722	6.0486	5.4699	4.4994	3.6849	2.4619	1.4492	2.3449	2.3449	3.5674	4.4994	5.3861	6.1186	6.6410	6.9443	6.6410	6.1186	5.3861	4.4994	3.5674	4.1044	5.1875	5.7722	6.4872	6.6410	6.9328	7.0827	6.9328	6.6832	6.6832	6.1186
C25	5.3861	5.1875	4.1044	3.5674	4.4994	4.4994	3.5674	2.3449	2.3449	1.4492	2.4619	3.6849	4.4994	5.4699	5.7722	6.4872	6.6410	6.0486	5.7722	4.8223	4.1044	2.8426	2.4619	1.3933		1.4492	2.4619	3.6849	4.1044	5.1875	5.7722	5.4699	4.4994	4.1044	2.8426	2.4619	3.5674	3.5674	4.5994	5.4699	6.1186	6.6832	6.9328	7.0827	6.9328	6.6832	6.1186	5.4699	4.5994	4.8223	5.7722	6.0486	6.6410	6.4872	6.6410	6.9443	6.6410	6.1186	6.1186	5.3861
C26	5.1875	5.3861	4.4994	3.5674	4.1044	3.6849	2.4619	1.4492	2.3449	2.3449	3.5674	4.4994	5.3861	6.1186	6.1186	6.6410	6.9443	6.6410	6.4872	5.7722	5.1875	4.1044	3.6849	2.4619	1.4492		1.3933	2.4619	2.8426	4.1044	4.8223	4.5994	3.5674	3.5674	2.4619	2.8426	4.1044	4.4994	5.4699	6.0486	6.6410	6.9328	7.0827	6.9328	6.6832	6.6832	6.1186	5.7722	4.8223	4.5994	5.4699	5.4699	6.1186	5.7722	6.0486	6.6410	6.4872	5.7722	5.4699	4.4994
C27	5.7722	6.1186	5.4699	4.5994	4.8223	4.1044	2.8426	2.4619	3.5674	3.5674	4.5994	5.4699	6.1186	6.6832	6.6832	6.9328	7.0827	6.9328	6.6410	6.0486	5.7722	4.8223	4.1044	2.8426	2.4619	1.3933		1.4492	2.4619	3.6849	4.1044	3.5674	2.3449	2.3449	1.4492	2.4619	3.6849	4.4994	5.4699	5.7722	6.4872	6.6410	6.9443	6.6410	6.1186	6.1186	5.3861	5.1875	4.1044	3.5674	4.4994	4.4994	5.3861	5.1875	5.7722	6.4872	6.6410	6.0486	5.4699	4.4994
C28	5.4699	6.1186	5.7722	4.8223	4.5994	3.5674	2.4619	2.8426	4.1044	4.4994	5.4699	6.0486	6.6410	6.9328	6.6832	6.6832	6.9328	7.0827	6.9443	6.6410	6.4872	5.7722	5.1875	4.1044	3.6849	2.4619	1.4492		1.3933	2.4619	2.8426	2.4619	1.4492	2.3449	2.3449	3.5674	4.4994	5.3861	6.1186	6.1186	6.6410	6.4872	6.6410	6.0486	5.4699	5.7722	5.1875	5.3861	4.4994	3.5674	4.1044	3.6849	4.4994	4.1044	4.8223	5.7722	6.1186	5.4699	4.5994	3.5674
C29	4.4994	5.3861	5.1875	4.1044	3.5674	2.3449	1.4492	2.4619	3.6849	4.4994	5.4699	5.7722	6.4872	6.6410	6.1186	6.1186	6.6410	6.9443	7.0827	6.9328	6.6410	6.0486	5.7722	4.8223	4.1044	2.8426	2.4619	1.3933		1.4492	2.4619	2.8426	2.4619	3.5674	3.5674	4.5994	5.4699	6.1186	6.6832	6.6832	6.9328	6.6410	6.4872	5.7722	5.4699	6.0486	5.7722	6.1186	5.4699	4.5994	4.8223	4.1044	4.4994	3.6849	4.1044	5.1875	5.3861	4.4994	3.5674	2.3449
C30	4.1044	5.1875	5.3861	4.4994	3.5674	2.3449	2.3449	3.5674	4.4994	5.3861	6.1186	6.1186	6.6410	6.4872	5.7722	5.4699	6.0486	6.6410	6.9328	7.0827	6.9443	6.6410	6.4872	5.7722	5.1875	4.1044	3.6849	2.4619	1.4492		1.3933	2.4619	2.8426	4.1044	4.4994	5.4699	6.0486	6.6410	6.9328	6.6832	6.6832	6.1186	5.7722	4.8223	4.5994	5.4699	5.4699	6.1186	5.7722	4.8223	4.5994	3.5674	3.5674	2.4619	2.8426	4.1044	4.4994	3.6849	2.4619	1.4492
C31	4.8223	5.7722	6.1186	5.4699	4.5994	3.5674	3.5674	4.5994	5.4699	6.1186	6.6832	6.6832	6.9328	6.6410	6.0486	5.4699	5.7722	6.4872	6.6410	6.9443	7.0827	6.9328	6.6410	6.0486	5.7722	4.8223	4.1044	2.8426	2.4619	1.3933		1.4492	2.4619	3.6849	4.4994	5.4699	5.7722	6.4872	6.6410	6.1186	6.1186	5.3861	5.1875	4.1044	3.5674	4.4994	4.4994	5.3861	5.1875	4.1044	3.5674	2.3449	2.3449	1.4492	2.4619	3.6849	4.4994	4.1044	2.8426	2.4619
C32	5.7722	6.4872	6.6410	6.0486	5.4699	4.4994	4.1044	4.8223	5.7722	6.1186	6.6832	6.9328	7.0827	6.9443	6.6410	6.1186	6.1186	6.6410	6.4872	6.6410	6.9328	6.6832	6.1186	5.4699	5.4699	4.5994	3.5674	2.4619	2.8426	2.4619	1.4492		1.3933	2.4619	3.5674	4.5994	4.8223	5.7722	6.0486	5.4699	5.7722	5.1875	5.3861	4.4994	3.5674	4.1044	3.6849	4.4994	4.1044	2.8426	2.4619	1.4492	2.3449	2.3449	3.5674	4.4994	5.3861	5.1875	4.1044	3.6849
C33	6.0486	6.6410	6.4872	5.7722	5.4699	4.4994	3.6849	4.1044	5.1875	5.3861	6.1186	6.6410	6.9443	7.0827	6.9328	6.6832	6.6832	6.9328	6.6410	6.4872	6.6410	6.1186	5.3861	4.4994	4.4994	3.5674	2.3449	1.4492	2.4619	2.8426	2.4619	1.3933		1.4492	2.3449	3.5674	4.1044	5.1875	5.7722	5.4699	6.0486	5.7722	6.1186	5.4699	4.5994	4.8223	4.1044	4.4994	3.6849	2.4619	2.8426	2.4619	3.5674	3.5674	4.5994	5.4699	6.1186	5.7722	4.8223	4.1044
C34	6.6410	6.9443	6.6410	6.1186	6.1186	5.3861	4.4994	4.4994	5.3861	5.1875	5.7722	6.4872	6.6410	6.9328	7.0827	6.9328	6.6832	6.6832	6.1186	5.7722	6.0486	5.4699	4.4994	3.6849	4.1044	3.5674	2.3449	2.3449	3.5674	4.1044	3.6849	2.4619	1.4492		1.4492	2.4619	2.8426	4.1044	4.8223	4.5994	5.4699	5.4699	6.1186	5.7722	4.8223	4.5994	3.5674	3.5674	2.4619	1.3933	2.4619	2.8426	4.1044	4.4994	5.4699	6.0486	6.6410	6.4872	5.7722	5.1875
C35	6.4872	6.6410	6.0486	5.4699	5.7722	5.1875	4.1044	3.6849	4.4994	4.1044	4.8223	5.7722	6.1186	6.6832	6.9328	7.0827	6.9328	6.6832	6.1186	5.4699	5.4699	4.5994	3.5674	2.4619	2.8426	2.4619	1.4492	2.3449	3.5674	4.4994	4.4994	3.5674	2.3449	1.4492		1.3933	2.4619	3.5674	4.5994	4.8223	5.7722	6.0486	6.6410	6.4872	5.7722	5.4699	4.4994	4.1044	2.8426	2.4619	3.6849	4.1044	5.1875	5.3861	6.1186	6.6410	6.9443	6.6410	6.1186	5.3861
C36	6.6410	6.4872	5.7722	5.4699	6.0486	5.7722	4.8223	4.1044	4.4994	3.6849	4.1044	5.1875	5.3861	6.1186	6.6410	6.9443	6.6410	6.1186	5.3861	4.4994	4.4994	3.5674	2.3449	1.4492	2.4619	2.8426	2.4619	3.5674	4.5994	5.4699	5.4699	4.5994	3.5674	2.4619	1.3933		1.4492	2.3449	3.5674	4.1044	5.1875	5.7722	6.4872	6.6410	6.0486	5.4699	4.4994	3.6849	2.4619	2.8426	4.1044	4.8223	5.7722	6.1186	6.6832	6.9328	7.0827	6.9328	6.6832	6.1186
C37	6.9443	6.6410	6.1186	6.1186	6.6410	6.4872	5.7722	5.1875	5.3861	4.4994	4.4994	5.3861	5.1875	5.7722	6.4872	6.6410	6.0486	5.4699	4.4994	3.6849	4.1044	3.5674	2.3449	2.3449	3.5674	4.1044	3.6849	4.4994	5.4699	6.0486	5.7722	4.8223	4.1044	2.8426	2.4619	1.4492		1.4492	2.4619	2.8426	4.1044	4.8223	5.7722	6.1186	5.4699	4.5994	3.5674	2.4619	1.3933	2.4619	3.5674	4.5994	5.4699	6.1186	6.6832	6.6832	6.9328	7.0827	6.9328	6.6410
C38	6.6410	6.0486	5.4699	5.7722	6.4872	6.6410	6.1186	5.3861	5.1875	4.1044	3.6849	4.4994	4.1044	4.8223	5.7722	6.1186	5.4699	4.5994	3.5674	2.4619	2.8426	2.4619	1.4492	2.3449	3.5674	4.4994	4.4994	5.3861	6.1186	6.6410	6.4872	5.7722	5.1875	4.1044	3.5674	2.3449	1.4492		1.3933	2.4619	3.5674	4.5994	5.4699	6.1186	5.7722	4.8223	4.1044	2.8426	2.4619	3.6849	4.4994	5.4699	6.0486	6.6410	6.9328	6.6832	6.6832	6.9328	7.0827	6.9443
C39	6.4872	5.7722	5.4699	6.0486	6.6410	6.9328	6.6832	6.1186	5.7722	4.8223	4.1044	4.4994	3.6849	4.1044	5.1875	5.3861	4.4994	3.5674	2.3449	1.4492	2.4619	2.8426	2.4619	3.5674	4.5994	5.4699	5.4699	6.1186	6.6832	6.9328	6.6410	6.0486	5.7722	4.8223	4.5994	3.5674	2.4619	1.3933		1.4492	2.3449	3.5674	4.4994	5.3861	5.1875	4.1044	3.6849	2.4619	2.8426	4.1044	4.4994	5.4699	5.7722	6.4872	6.6410	6.1186	6.1186	6.6410	6.9443	7.0827
C40	6.6410	6.1186	6.1186	6.6410	6.9443	7.0827	6.9328	6.6410	6.4872	5.7722	5.1875	5.3861	4.4994	4.4994	5.3861	5.1875	4.1044	3.5674	2.3449	2.3449	3.5674	4.1044	3.6849	4.4994	5.4699	6.0486	5.7722	6.1186	6.6832	6.6832	6.1186	5.4699	5.4699	4.5994	4.8223	4.1044	2.8426	2.4619	1.4492		1.4492	2.4619	3.6849	4.4994	4.1044	2.8426	2.4619	1.3933	2.4619	3.5674	3.5674	4.5994	4.8223	5.7722	6.0486	5.4699	5.7722	6.4872	6.6410	6.9328
C41	6.0486	5.4699	5.7722	6.4872	6.6410	6.9328	7.0827	6.9443	6.6410	6.1186	5.3861	5.1875	4.1044	3.6849	4.4994	4.1044	2.8426	2.4619	1.4492	2.3449	3.5674	4.4994	4.4994	5.3861	6.1186	6.6410	6.4872	6.6410	6.9328	6.6832	6.1186	5.7722	6.0486	5.4699	5.7722	5.1875	4.1044	3.5674	2.3449	1.4492		1.3933	2.4619	3.5674	3.5674	2.4619	2.8426	2.4619	3.6849	4.4994	4.1044	4.8223	4.5994	5.4699	5.4699	4.5994	4.8223	5.7722	6.1186	6.6832
C42	5.7722	5.4699	6.0486	6.6410	6.4872	6.6410	6.9443	7.0827	6.9328	6.6832	6.1186	5.7722	4.8223	4.1044	4.4994	3.6849	2.4619	2.8426	2.4619	3.5674	4.5994	5.4699	5.4699	6.1186	6.6832	6.9328	6.6410	6.4872	6.6410	6.1186	5.3861	5.1875	5.7722	5.4699	6.0486	5.7722	4.8223	4.5994	3.5674	2.4619	1.3933		1.4492	2.3449	2.3449	1.4492	2.4619	2.8426	4.1044	4.4994	3.6849	4.1044	3.5674	4.4994	4.4994	3.5674	4.1044	5.1875	5.3861	6.1186
C43	4.8223	4.5994	5.4699	6.1186	5.7722	6.0486	6.6410	6.9328	6.6832	6.6832	6.1186	5.4699	4.5994	3.5674	3.5674	2.4619	1.3933	2.4619	2.8426	4.1044	4.8223	5.7722	6.0486	6.6410	6.9328	7.0827	6.9443	6.6410	6.4872	5.7722	5.1875	5.3861	6.1186	6.1186	6.6410	6.4872	5.7722	5.4699	4.4994	3.6849	2.4619	1.4492		1.4492	2.3449	2.3449	3.5674	4.1044	5.1875	5.3861	4.4994	4.4994	3.5674	4.1044	3.6849	2.4619	2.8426	4.1044	4.4994	5.4699
C44	4.5994	4.8223	5.7722	6.1186	5.4699	5.4699	6.1186	6.6832	6.6832	6.9328	6.6410	6.0486	5.4699	4.4994	4.1044	2.8426	2.4619	3.6849	4.1044	5.1875	5.7722	6.4872	6.6410	6.9443	7.0827	6.9328	6.6410	6.0486	5.7722	4.8223	4.1044	4.4994	5.4699	5.7722	6.4872	6.6410	6.1186	6.1186	5.3861	4.4994	3.5674	2.3449	1.4492		1.4492	2.3449	3.5674	4.4994	5.3861	5.1875	4.1044	3.6849	2.4619	2.8426	2.4619	1.3933	2.4619	3.5674	3.5674	4.5994
C45	5.4699	5.7722	6.4872	6.6410	6.0486	5.7722	6.1186	6.6832	6.9328	7.0827	6.9443	6.6410	6.1186	5.3861	5.1875	4.1044	3.5674	4.4994	4.4994	5.3861	6.1186	6.6410	6.4872	6.6410	6.9328	6.6832	6.1186	5.4699	5.4699	4.5994	3.5674	3.5674	4.5994	4.8223	5.7722	6.0486	5.4699	5.7722	5.1875	4.1044	3.5674	2.3449	2.3449	1.4492		1.4492	2.4619	3.6849	4.4994	4.1044	2.8426	2.4619	1.3933	2.4619	2.8426	2.4619	3.6849	4.4994	4.1044	4.8223
C46	6.1186	6.1186	6.6410	6.9443	6.6410	6.4872	6.6410	6.9328	7.0827	6.9328	6.6410	6.4872	5.7722	5.1875	5.3861	4.4994	3.5674	4.1044	3.6849	4.4994	5.4699	6.0486	5.7722	6.1186	6.6832	6.6832	6.1186	5.7722	6.0486	5.4699	4.4994	4.1044	4.8223	4.5994	5.4699	5.4699	4.5994	4.8223	4.1044	2.8426	2.4619	1.4492	2.3449	2.3449	1.4492		1.3933	2.4619	3.5674	3.5674	2.4619	2.8426	2.4619	3.6849	4.1044	3.5674	4.4994	5.3861	5.1875	5.7722
C47	6.6832	6.6832	6.9328	7.0827	6.9328	6.6410	6.4872	6.6410	6.9443	6.6410	6.4872	6.6410	6.0486	5.7722	6.1186	5.4699	4.5994	4.8223	4.1044	4.4994	5.4699	5.7722	5.1875	5.3861	6.1186	6.1186	5.3861	5.1875	5.7722	5.4699	4.4994	3.6849	4.1044	3.5674	4.4994	4.4994	3.5674	4.1044	3.6849	2.4619	2.8426	2.4619	3.5674	3.5674	2.4619	1.3933		1.4492	2.3449	2.3449	1.4492	2.4619	2.8426	4.1044	4.8223	4.5994	5.4699	6.1186	5.7722	6.0486
C48	6.9328	6.6832	6.6832	6.9328	7.0827	6.9443	6.6410	6.4872	6.6410	6.0486	5.7722	6.1186	5.4699	5.4699	6.1186	5.7722	4.8223	4.5994	3.5674	3.5674	4.5994	4.8223	4.1044	4.4994	5.4699	5.7722	5.1875	5.3861	6.1186	6.1186	5.3861	4.4994	4.4994	3.5674	4.1044	3.6849	2.4619	2.8426	2.4619	1.3933	2.4619	2.8426	4.1044	4.4994	3.6849	2.4619	1.4492		1.4492	2.3449	2.3449	3.5674	4.1044	5.1875	5.7722	5.4699	6.0486	6.6410	6.4872	6.6410
C49	7.0827	6.9328	6.6832	6.6832	6.9328	6.6410	6.0486	5.7722	6.1186	5.4699	5.4699	6.1186	5.7722	6.0486	6.6410	6.4872	5.7722	5.4699	4.4994	4.1044	4.8223	4.5994	3.5674	3.5674	4.5994	4.8223	4.1044	4.4994	5.4699	5.7722	5.1875	4.1044	3.6849	2.4619	2.8426	2.4619	1.3933	2.4619	2.8426	2.4619	3.6849	4.1044	5.1875	5.3861	4.4994	3.5674	2.3449	1.4492		1.4492	2.3449	3.5674	4.4994	5.3861	6.1186	6.1186	6.6410	6.9443	6.6410	6.4872
C50	6.9328	7.0827	6.9328	6.6832	6.6832	6.1186	5.4699	5.4699	6.1186	5.7722	6.0486	6.6410	6.4872	6.6410	6.9443	6.6410	6.1186	6.1186	5.3861	5.1875	5.7722	5.4699	4.4994	4.1044	4.8223	4.5994	3.5674	3.5674	4.5994	4.8223	4.1044	2.8426	2.4619	1.3933	2.4619	2.8426	2.4619	3.6849	4.1044	3.5674	4.4994	4.4994	5.3861	5.1875	4.1044	3.5674	2.3449	2.3449	1.4492		1.4492	2.4619	3.6849	4.4994	5.4699	5.7722	6.4872	6.6410	6.0486	5.7722
C51	6.6832	6.9328	7.0827	6.9328	6.6832	6.1186	5.7722	6.0486	6.6410	6.4872	6.6410	6.9443	6.6410	6.4872	6.6410	6.0486	5.4699	5.7722	5.1875	5.3861	6.1186	6.1186	5.3861	5.1875	5.7722	5.4699	4.4994	4.1044	4.8223	4.5994	3.5674	2.4619	2.8426	2.4619	3.6849	4.1044	3.5674	4.4994	4.4994	3.5674	4.1044	3.6849	4.4994	4.1044	2.8426	2.4619	1.4492	2.3449	2.3449	1.4492		1.3933	2.4619	3.5674	4.5994	4.8223	5.7722	6.1186	5.4699	5.4699
C52	6.1186	6.6410	6.9443	6.6410	6.1186	5.3861	5.1875	5.7722	6.4872	6.6410	6.9328	7.0827	6.9328	6.6410	6.4872	5.7722	5.4699	6.0486	5.7722	6.1186	6.6832	6.6832	6.1186	5.7722	6.0486	5.4699	4.4994	3.6849	4.1044	3.5674	2.3449	1.4492	2.4619	2.8426	4.1044	4.8223	4.5994	5.4699	5.4699	4.5994	4.8223	4.1044	4.4994	3.6849	2.4619	2.8426	2.4619	3.5674	3.5674	2.4619	1.3933		1.4492	2.3449	3.5674	4.1044	5.1875	5.3861	4.4994	4.4994
C53	5.4699	6.0486	6.6410	6.4872	5.7722	5.1875	5.3861	6.1186	6.6410	6.9443	7.0827	6.9328	6.6832	6.1186	5.7722	4.8223	4.5994	5.4699	5.4699	6.1186	6.6832	6.9328	6.6410	6.4872	6.6410	6.1186	5.3861	4.4994	4.4994	3.5674	2.3449	2.3449	3.5674	4.1044	5.1875	5.7722	5.4699	6.0486	5.7722	4.8223	4.5994	3.5674	3.5674	2.4619	1.3933	2.4619	2.8426	4.1044	4.4994	3.6849	2.4619	1.4492		1.4492	2.4619	2.8426	4.1044	4.4994	3.6849	4.1044
C54	4.5994	5.4699	6.1186	5.7722	4.8223	4.1044	4.4994	5.4699	6.0486	6.6410	6.9328	6.6832	6.6832	6.1186	5.4699	4.5994	4.8223	5.7722	6.0486	6.6410	6.9328	7.0827	6.9443	6.6410	6.4872	5.7722	5.1875	4.1044	3.6849	2.4619	1.4492	2.3449	3.5674	4.4994	5.3861	6.1186	6.1186	6.6410	6.4872	5.7722	5.4699	4.4994	4.1044	2.8426	2.4619	3.6849	4.1044	5.1875	5.3861	4.4994	3.5674	2.3449	1.4492		1.3933	2.4619	3.5674	3.5674	2.4619	2.8426
C55	3.5674	4.4994	5.3861	5.1875	4.1044	3.6849	4.4994	5.4699	5.7722	6.4872	6.6410	6.1186	6.1186	5.3861	4.4994	3.5674	4.1044	5.1875	5.7722	6.4872	6.6410	6.9443	7.0827	6.9328	6.6410	6.0486	5.7722	4.8223	4.1044	2.8426	2.4619	3.5674	4.5994	5.4699	6.1186	6.6832	6.6832	6.9328	6.6410	6.0486	5.4699	4.4994	3.6849	2.4619	2.8426	4.1044	4.8223	5.7722	6.1186	5.4699	4.5994	3.5674	2.4619	1.3933		1.4492	2.3449	2.3449	1.4492	2.4619
C56	3.5674	4.1044	5.1875	5.3861	4.4994	4.4994	5.3861	6.1186	6.1186	6.6410	6.4872	5.7722	5.4699	4.4994	3.6849	2.4619	2.8426	4.1044	4.8223	5.7722	6.0486	6.6410	6.9328	7.0827	6.9443	6.6410	6.4872	5.7722	5.1875	4.1044	3.6849	4.4994	5.4699	6.0486	6.6410	6.9328	6.6832	6.6832	6.1186	5.4699	4.5994	3.5674	2.4619	1.3933	2.4619	3.5674	4.5994	5.4699	6.1186	5.7722	4.8223	4.1044	2.8426	2.4619	1.4492		1.4492	2.3449	2.3449	3.5674
C57	2.4619	2.8426	4.1044	4.4994	3.6849	4.1044	5.1875	5.7722	5.4699	6.0486	5.7722	4.8223	4.5994	3.5674	2.4619	1.3933	2.4619	3.5674	4.5994	5.4699	5.4699	6.1186	6.6832	6.9328	6.6410	6.4872	6.6410	6.1186	5.3861	4.4994	4.4994	5.3861	6.1186	6.6410	6.9443	7.0827	6.9328	6.6832	6.1186	5.7722	4.8223	4.1044	2.8426	2.4619	3.6849	4.4994	5.4699	6.0486	6.6410	6.4872	5.7722	5.1875	4.1044	3.5674	2.3449	1.4492		1.4492	2.3449	3.5674
C58	1.3933	2.4619	3.5674	3.5674	2.4619	2.8426	4.1044	4.8223	4.5994	5.4699	5.4699	4.5994	4.8223	4.1044	2.8426	2.4619	3.6849	4.4994	5.4699	6.0486	5.7722	6.1186	6.6832	6.6832	6.1186	5.7722	6.0486	5.4699	4.4994	3.6849	4.1044	5.1875	5.7722	6.4872	6.6410	6.9328	7.0827	6.9328	6.6410	6.4872	5.7722	5.1875	4.1044	3.5674	4.4994	5.3861	6.1186	6.6410	6.9443	6.6410	6.1186	5.3861	4.4994	3.5674	2.3449	2.3449	1.4492		1.4492	2.4619
C59	2.4619	3.6849	4.4994	4.1044	2.8426	2.4619	3.5674	4.5994	4.8223	5.7722	6.0486	5.4699	5.7722	5.1875	4.1044	3.5674	4.4994	5.3861	6.1186	6.6410	6.4872	6.6410	6.9328	6.6832	6.1186	5.4699	5.4699	4.5994	3.5674	2.4619	2.8426	4.1044	4.8223	5.7722	6.1186	6.6832	6.9328	7.0827	6.9443	6.6410	6.1186	5.3861	4.4994	3.5674	4.1044	5.1875	5.7722	6.4872	6.6410	6.0486	5.4699	4.4994	3.6849	2.4619	1.4492	2.3449	2.3449	1.4492		1.3933
C60	2.8426	4.1044	4.4994	3.6849	2.4619	1.4492	2.3449	3.5674	4.1044	5.1875	5.7722	5.4699	6.0486	5.7722	4.8223	4.5994	5.4699	6.1186	6.6832	6.9328	6.6410	6.4872	6.6410	6.1186	5.3861	4.4994	4.4994	3.5674	2.3449	1.4492	2.4619	3.6849	4.1044	5.1875	5.3861	6.1186	6.6410	6.9443	7.0827	6.9328	6.6832	6.1186	5.4699	4.5994	4.8223	5.7722	6.0486	6.6410	6.4872	5.7722	5.4699	4.4994	4.1044	2.8426	2.4619	3.5674	3.5674	2.4619	1.3933

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	C3	108.000		C1	C2	C15	120.000
C1	C5	C4	108.000		C1	C5	C6	120.000
C1	C58	C57	120.000		C1	C58	C59	120.000
C2	C1	C5	108.000		C2	C1	C58	120.000
C2	C3	C4	108.000		C2	C3	C12	120.000
C2	C15	C14	120.000		C2	C15	C16	120.000
C3	C2	C15	120.000		C3	C4	C5	108.000
C3	C4	C9	120.000		C3	C12	C11	120.000
C3	C12	C13	120.000		C4	C3	C12	120.000
C4	C5	C6	120.000		C4	C9	C8	120.000
C4	C9	C10	120.000		C5	C1	C58	120.000
C5	C4	C9	120.000		C5	C6	C7	120.000
C5	C6	C60	120.000		C6	C7	C8	120.000
C6	C7	C29	108.000		C6	C60	C30	108.000
C6	C60	C59	120.000		C7	C6	C60	108.000
C7	C8	C9	120.000		C7	C8	C26	120.000
C7	C29	C28	120.000		C7	C29	C30	108.000
C8	C7	C29	120.000		C8	C9	C10	108.000
C8	C26	C25	108.000		C8	C26	C27	120.000
C9	C8	C26	108.000		C9	C10	C11	120.000
C9	C10	C25	108.000		C10	C11	C12	120.000
C10	C11	C22	120.000		C10	C25	C24	120.000
C10	C25	C26	108.000		C11	C10	C25	120.000
C11	C12	C13	108.000		C11	C22	C21	108.000
C11	C22	C23	120.000		C12	C11	C22	108.000
C12	C13	C14	120.000		C12	C13	C21	108.000
C13	C14	C15	120.000		C13	C14	C18	120.000
C13	C21	C20	120.000		C13	C21	C22	108.000
C14	C13	C21	120.000		C14	C15	C16	108.000
C14	C18	C17	108.000		C14	C18	C19	120.000
C15	C14	C18	108.000		C15	C16	C17	108.000
C15	C16	C57	120.000		C16	C17	C18	108.000
C16	C17	C43	120.000		C16	C57	C56	120.000
C16	C57	C58	120.000		C17	C16	C57	120.000
C17	C18	C19	120.000		C17	C43	C42	120.000
C17	C43	C44	120.000		C18	C17	C43	120.000
C18	C19	C20	120.000		C18	C19	C41	120.000
C19	C20	C21	120.000		C19	C20	C39	108.000
C19	C41	C40	108.000		C19	C41	C42	120.000
C20	C19	C41	108.000		C20	C21	C22	120.000
C20	C39	C38	120.000		C20	C39	C40	108.000
C21	C20	C39	120.000		C21	C22	C23	120.000
C22	C23	C24	120.000		C22	C23	C38	120.000
C23	C24	C25	120.000		C23	C24	C36	108.000
C23	C38	C37	108.000		C23	C38	C39	120.000
C24	C23	C38	108.000		C24	C25	C26	120.000
C24	C36	C35	120.000		C24	C36	C37	108.000
C25	C24	C36	120.000		C25	C26	C27	120.000
C26	C27	C28	120.000		C26	C27	C35	120.000
C27	C28	C29	120.000		C27	C28	C33	108.000
C27	C35	C34	108.000		C27	C35	C36	120.000
C28	C27	C35	108.000		C28	C29	C30	120.000
C28	C33	C32	120.000		C28	C33	C34	108.000
C29	C28	C33	120.000		C29	C30	C31	120.000
C29	C30	C60	108.000		C30	C31	C32	120.000
C30	C31	C54	120.000		C30	C60	C59	120.000
C31	C30	C60	120.000		C31	C32	C33	120.000
C31	C32	C52	108.000		C31	C54	C53	108.000
C31	C54	C55	120.000		C32	C31	C54	108.000
C32	C33	C34	120.000		C32	C52	C51	120.000
C32	C52	C53	108.000		C33	C32	C52	120.000
C33	C34	C35	108.000		C33	C34	C50	120.000
C34	C35	C36	120.000		C34	C50	C49	120.000
C34	C50	C51	120.000		C35	C34	C50	120.000
C35	C36	C37	120.000		C36	C37	C38	108.000
C36	C37	C49	120.000		C37	C38	C39	120.000
C37	C49	C48	120.000		C37	C49	C50	120.000
C38	C37	C49	120.000		C38	C39	C40	120.000
C39	C40	C41	108.000		C39	C40	C48	120.000
C40	C41	C42	120.000		C40	C48	C47	120.000
C40	C48	C49	120.000		C41	C40	C48	120.000
C41	C42	C43	120.000		C41	C42	C46	120.000
C42	C43	C44	108.000		C42	C46	C45	108.000
C42	C46	C47	120.000		C43	C42	C46	108.000
C43	C44	C45	108.000		C43	C44	C56	120.000
C44	C45	C46	108.000		C44	C45	C53	120.000
C44	C56	C55	120.000		C44	C56	C57	120.000
C45	C44	C56	120.000		C45	C46	C47	120.000
C45	C53	C52	120.000		C45	C53	C54	120.000
C46	C45	C53	120.000		C46	C47	C48	120.000
C46	C47	C51	120.000		C47	C48	C49	108.000
C47	C51	C50	108.000		C47	C51	C52	120.000
C48	C47	C51	108.000		C48	C49	C50	108.000
C49	C50	C51	108.000		C50	C51	C52	120.000
C51	C52	C53	120.000		C52	C53	C54	108.000
C53	C54	C55	120.000		C54	C55	C56	120.000
C54	C55	C59	120.000		C55	C56	C57	108.000
C55	C59	C58	108.000		C55	C59	C60	120.000
C56	C55	C59	108.000		C56	C57	C58	108.000
C57	C58	C59	108.000		C58	C59	C60	120.000

Electronic energy levels

Charges, Dipole, Quadrupole and Polarizability
Charges from optimized geometry at B3PW91/6-31G* 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 -324.357 0.000 0.000 y 0.000 -324.357 0.000 z 0.000 0.000 -324.357

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	69.451	0.000	0.000
y	0.000	69.451	0.000
z	0.000	0.000	69.451

<r²> (average value of r²) Ų

<r2>	4717.373
(<r2>)1/2	68.683