All results from a given calculation for C₆₀ (Buckminsterfullerene)

Energy calculated at PBEPBE/6-31G

	hartrees
Energy at 0K	-2283.065843
Energy at 298.15K	-2283.063922
HF Energy	-2283.065843
Nuclear repulsion energy	8265.944191

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 PBEPBE/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	1508	1487	0.00
2	Ag	487	480	0.00
3	Au	952	939	0.00
4	T1g	1274	1257	0.00
4	T1g	1274	1257	0.00
4	T1g	1274	1257	0.00
5	T1g	829	817	0.00
5	T1g	829	817	0.00
5	T1g	829	817	0.00
6	T1g	566	558	0.00
6	T1g	566	558	0.00
6	T1g	566	558	0.00
7	T1u	1466	1445	14.16
7	T1u	1466	1445	14.16
7	T1u	1466	1445	14.16
8	T1u	1189	1173	9.98
8	T1u	1189	1173	9.98
8	T1u	1189	1173	9.98
9	T1u	576	569	10.32
9	T1u	576	569	10.32
9	T1u	576	569	10.32
10	T1u	531	523	21.21
10	T1u	531	523	21.21
10	T1u	531	523	21.21
11	T2g	1338	1320	0.00
11	T2g	1338	1320	0.00
11	T2g	1338	1320	0.00
12	T2g	802	791	0.00
12	T2g	802	791	0.00
12	T2g	802	791	0.00
13	T2g	721	711	0.00
13	T2g	721	711	0.00
13	T2g	721	711	0.00
14	T2g	563	555	0.00
14	T2g	563	555	0.00
14	T2g	563	555	0.00
15	T2u	1544	1522	0.00
15	T2u	1544	1522	0.00
15	T2u	1544	1522	0.00
16	T2u	1196	1180	0.00
16	T2u	1196	1180	0.00
16	T2u	1196	1180	0.00
17	T2u	975	961	0.00
17	T2u	975	961	0.00
17	T2u	975	961	0.00
18	T2u	707	697	0.00
18	T2u	707	697	0.00
81	T2u	707	697	0.00
19	T2u	345	340	0.00
19	T2u	345	340	0.00
19	T2u	345	340	0.00
20	Gg	1511	1490	0.00
20	Gg	1511	1490	0.00
20	Gg	1511	1490	0.00
20	Gg	1511	1490	0.00
21	Gg	1313	1295	0.00
21	Gg	1313	1295	0.00
21	Gg	1313	1295	0.00
21	Gg	1313	1295	0.00
22	Gg	1096	1080	0.00
22	Gg	1096	1080	0.00
22	Gg	1096	1080	0.00
22	Gg	1096	1080	0.00
23	Gg	734	724	0.00
23	Gg	734	724	0.00
23	Gg	734	724	0.00
23	Gg	734	724	0.00
24	Gg	577	569	0.00
24	Gg	577	569	0.00
24	Gg	577	569	0.00
24	Gg	577	569	0.00
25	Gg	482	476	0.00
25	Gg	482	476	0.00
25	Gg	482	476	0.00
25	Gg	482	476	0.00
26	Gu	1444	1424	0.00
26	Gu	1444	1424	0.00
26	Gu	1444	1424	0.00
26	Gu	1444	1424	0.00
27	Gu	1314	1296	0.00
27	Gu	1314	1296	0.00
27	Gu	1314	1296	0.00
27	Gu	1314	1296	0.00
28	Gu	966	953	0.00
28	Gu	966	953	0.00
28	Gu	966	953	0.00
28	Gu	966	953	0.00
29	Gu	761	750	0.00
29	Gu	761	750	0.00
29	Gu	761	750	0.00
29	Gu	761	750	0.00
30	Gu	731	721	0.00
30	Gu	731	721	0.00
30	Gu	731	721	0.00
30	Gu	731	721	0.00
31	Gu	353	348	0.00
31	Gu	353	348	0.00
31	Gu	353	348	0.00
31	Gu	353	348	0.00
32	Hg	1583	1561	0.00
32	Hg	1583	1561	0.00
32	Hg	1583	1561	0.00
32	Hg	1583	1561	0.00
32	Hg	1583	1561	0.00
33	Hg	1447	1427	0.00
33	Hg	1447	1427	0.00
33	Hg	1447	1427	0.00
33	Hg	1447	1427	0.00
33	Hg	1447	1427	0.00
34	Hg	1254	1237	0.00
34	Hg	1254	1237	0.00
34	Hg	1254	1237	0.00
34	Hg	1254	1237	0.00
34	Hg	1254	1237	0.00
35	Hg	1106	1091	0.00
35	Hg	1106	1091	0.00
35	Hg	1106	1091	0.00
35	Hg	1106	1091	0.00
35	Hg	1106	1091	0.00
36	Hg	773	763	0.00
36	Hg	773	763	0.00
36	Hg	773	763	0.00
36	Hg	773	763	0.00
36	Hg	773	763	0.00
37	Hg	703	694	0.00
37	Hg	703	694	0.00
37	Hg	703	694	0.00
37	Hg	703	694	0.00
37	Hg	703	694	0.00
38	Hg	433	427	0.00
38	Hg	433	427	0.00
38	Hg	433	427	0.00
38	Hg	433	427	0.00
38	Hg	433	427	0.00
39	Hg	264	260	0.00
39	Hg	264	260	0.00
39	Hg	264	260	0.00
39	Hg	264	260	0.00
39	Hg	264	260	0.00
40	Hu	1572	1550	0.00
40	Hu	1572	1550	0.00
40	Hu	1572	1550	0.00
40	Hu	1572	1550	0.00
40	Hu	1572	1550	0.00
41	Hu	1340	1321	0.00
41	Hu	1340	1321	0.00
41	Hu	1340	1321	0.00
41	Hu	1340	1321	0.00
41	Hu	1340	1321	0.00
42	Hu	1217	1200	0.00
42	Hu	1217	1200	0.00
42	Hu	1217	1200	0.00
42	Hu	1217	1200	0.00
42	Hu	1217	1200	0.00
43	Hu	725	715	0.00
43	Hu	725	715	0.00
43	Hu	725	715	0.00
43	Hu	725	715	0.00
43	Hu	725	715	0.00
44	Hu	672	663	0.00
44	Hu	672	663	0.00
44	Hu	672	663	0.00
44	Hu	672	663	0.00
44	Hu	672	663	0.00
45	Hu	534	526	0.00
45	Hu	534	526	0.00
45	Hu	534	526	0.00
45	Hu	534	526	0.00
45	Hu	534	526	0.00
46	Hu	407	401	0.00
46	Hu	407	401	0.00
46	Hu	407	401	0.00
46	Hu	407	401	0.00
46	Hu	407	401	0.00

Unscaled Zero Point Vibrational Energy (zpe) 81035.5 cm^-1
Scaled (by 0.9862) Zero Point Vibrational Energy (zpe) 79917.2 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 PBEPBE/6-31G

A	B	C
0.00275	0.00275	0.00275

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

Geometric Data calculated at PBEPBE/6-31G

Point Group is I_h

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.245	3.352
C2	-1.184	0.385	3.352
C3	-0.732	-1.007	3.352
C4	0.732	-1.007	3.352
C5	1.184	0.385	3.352
C6	2.322	0.755	2.613
C7	3.054	-0.253	1.843
C8	2.619	-1.591	1.843
C9	1.435	-1.975	2.613
C10	0.704	-2.983	1.843
C11	-0.704	-2.983	1.843
C12	-1.435	-1.975	2.613
C13	-2.619	-1.591	1.843
C14	-3.054	-0.253	1.843
C15	-2.322	0.755	2.613
C16	-2.322	1.999	1.843
C17	-3.054	1.762	0.599
C18	-3.506	0.370	0.599
C19	-3.506	-0.370	-0.599
C20	-3.054	-1.762	-0.599
C21	-2.619	-2.360	0.599
C22	-1.435	-3.220	0.599
C23	-0.732	-3.449	-0.599
C24	0.732	-3.449	-0.599
C25	1.435	-3.220	0.599
C26	2.619	-2.360	0.599
C27	3.054	-1.762	-0.599
C28	3.506	-0.370	-0.599
C29	3.506	0.370	0.599
C30	3.054	1.762	0.599
C31	2.619	2.360	-0.599
C32	2.619	1.591	-1.843
C33	3.054	0.253	-1.843
C34	2.322	-0.755	-2.613
C35	2.322	-1.999	-1.843
C36	1.184	-2.826	-1.843
C37	0.000	-2.442	-2.613
C38	-1.184	-2.826	-1.843
C39	-2.322	-1.999	-1.843
C40	-2.322	-0.755	-2.613
C41	-3.054	0.253	-1.843
C42	-2.619	1.591	-1.843
C43	-2.619	2.360	-0.599
C44	-1.435	3.220	-0.599
C45	-0.704	2.983	-1.843
C46	-1.435	1.975	-2.613
C47	-0.732	1.007	-3.352
C48	-1.184	-0.385	-3.352
C49	0.000	-1.245	-3.352
C50	1.184	-0.385	-3.352
C51	0.732	1.007	-3.352
C52	1.435	1.975	-2.613
C53	0.704	2.983	-1.843
C54	1.435	3.220	-0.599
C55	0.732	3.449	0.599
C56	-0.732	3.449	0.599
C57	-1.184	2.826	1.843
C58	0.000	2.442	2.613
C59	1.184	2.826	1.843
C60	2.322	1.999	1.843

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		1.4634	2.3678	2.3678	1.4634	2.4861	3.7211	4.1447	3.6024	4.5435	4.5435	3.6024	4.1447	3.7211	2.4861	2.8705	4.1447	4.5435	5.5236	5.8289	5.2383	5.4389	6.1787	6.1787	5.4389	5.2383	5.8289	5.5236	4.5435	4.1447	4.8697	5.8289	6.1080	6.7062	6.5509	6.7062	7.0124	6.7062	6.5509	6.7062	6.1080	5.8289	4.8697	4.6446	5.5236	6.1787	6.7489	7.0009	7.1522	7.0009	6.7489	6.1787	5.5236	4.6446	3.6024	3.6024	2.4861	1.4072	2.4861	2.8705
C2	1.4634		1.4634	2.3678	2.3678	3.6024	4.5435	4.5435	3.6024	4.1447	3.7211	2.4861	2.8705	2.4861	1.4072	2.4861	3.6024	3.6024	4.6446	4.8697	4.1447	4.5435	5.5236	5.8289	5.2383	5.4389	6.1787	6.1787	5.4389	5.2383	5.8289	6.5509	6.7062	7.0124	6.7062	6.5509	6.7062	6.1080	5.8289	6.1787	5.5236	5.5236	4.6446	4.8697	5.8289	6.1787	6.7489	6.7489	7.0009	7.1522	7.0009	6.7062	6.1080	5.5236	4.5435	4.1447	2.8705	2.4861	3.7211	4.1447
C3	2.3678	1.4634		1.4634	2.3678	3.6024	4.1447	3.7211	2.4861	2.8705	2.4861	1.4072	2.4861	2.8705	2.4861	3.7211	4.5435	4.1447	4.8697	4.6446	3.6024	3.6024	4.6446	4.8697	4.1447	4.5435	5.5236	5.8289	5.2383	5.4389	6.1787	6.7062	6.5509	6.7062	6.1080	5.8289	6.1787	5.5236	5.5236	6.1787	5.8289	6.1080	5.5236	5.8289	6.5509	6.7062	7.0009	6.7489	6.7489	7.0009	7.1522	7.0124	6.7062	6.1787	5.4389	5.2383	4.1447	3.6024	4.5435	4.5435
C4	2.3678	2.3678	1.4634		1.4634	2.4861	2.8705	2.4861	1.4072	2.4861	2.8705	2.4861	3.7211	4.1447	3.6024	4.5435	5.4389	5.2383	5.8289	5.5236	4.5435	4.1447	4.8697	4.6446	3.6024	3.6024	4.6446	4.8697	4.1447	4.5435	5.5236	6.1080	5.8289	6.1787	5.5236	5.5236	6.1787	5.8289	6.1080	6.7062	6.5509	6.7062	6.1787	6.1787	6.7062	7.0124	7.1522	7.0009	6.7489	6.7489	7.0009	6.7062	6.5509	5.8289	5.2383	5.4389	4.5435	3.6024	4.1447	3.7211
C5	1.4634	2.3678	2.3678	1.4634		1.4072	2.4861	2.8705	2.4861	3.7211	4.1447	3.6024	4.5435	4.5435	3.6024	4.1447	5.2383	5.4389	6.1787	6.1787	5.4389	5.2383	5.8289	5.5236	4.5435	4.1447	4.8697	4.6446	3.6024	3.6024	4.6446	5.5236	5.5236	6.1787	5.8289	6.1080	6.7062	6.5509	6.7062	7.0124	6.7062	6.5509	5.8289	5.5236	6.1080	6.7062	7.0009	7.1522	7.0009	6.7489	6.7489	6.1787	5.8289	4.8697	4.1447	4.5435	3.7211	2.4861	2.8705	2.4861
C6	2.4861	3.6024	3.6024	2.4861	1.4072		1.4634	2.4861	2.8705	4.1447	4.8697	4.6446	5.5236	5.5236	4.6446	4.8697	5.8289	6.1787	6.7489	6.7489	6.1787	5.8289	6.1080	5.5236	4.5435	3.7211	4.1447	3.6024	2.3678	2.3678	3.6024	4.5435	4.5435	5.4389	5.2383	5.8289	6.5509	6.7062	7.0009	7.1522	7.0009	6.7062	6.1080	5.5236	5.8289	6.5509	6.7062	7.0124	6.7062	6.1787	6.1787	5.4389	5.2383	4.1447	3.7211	4.5435	4.1447	2.8705	2.4861	1.4634
C7	3.7211	4.5435	4.1447	2.8705	2.4861	1.4634		1.4072	2.4861	3.6024	4.6446	4.8697	5.8289	6.1080	5.5236	5.8289	6.5509	6.7062	7.0009	6.7489	6.1787	5.5236	5.5236	4.6446	3.6024	2.4861	2.8705	2.4861	1.4634	2.3678	3.6024	4.1447	3.7211	4.5435	4.1447	4.8697	5.8289	6.1787	6.7489	7.0009	7.1522	7.0124	6.7062	6.1787	6.1787	6.7062	6.5509	6.7062	6.1080	5.5236	5.8289	5.2383	5.4389	4.5435	4.5435	5.4389	5.2383	4.1447	3.6024	2.3678
C8	4.1447	4.5435	3.7211	2.4861	2.8705	2.4861	1.4072		1.4634	2.3678	3.6024	4.1447	5.2383	5.8289	5.5236	6.1080	6.7062	6.5509	6.7062	6.1787	5.4389	4.5435	4.5435	3.6024	2.3678	1.4634	2.4861	2.8705	2.4861	3.6024	4.6446	4.8697	4.1447	4.5435	3.7211	4.1447	5.2383	5.4389	6.1787	6.7062	7.0124	7.1522	7.0009	6.7489	6.7489	7.0009	6.7062	6.5509	5.8289	5.5236	6.1080	5.8289	6.1787	5.5236	5.5236	6.1787	5.8289	4.8697	4.6446	3.6024
C9	3.6024	3.6024	2.4861	1.4072	2.4861	2.8705	2.4861	1.4634		1.4634	2.4861	2.8705	4.1447	4.8697	4.6446	5.5236	6.1787	5.8289	6.1080	5.5236	4.5435	3.7211	4.1447	3.6024	2.3678	2.3678	3.6024	4.1447	3.7211	4.5435	5.5236	5.8289	5.2383	5.4389	4.5435	4.5435	5.4389	5.2383	5.8289	6.5509	6.7062	7.0009	6.7489	6.7489	7.0009	7.1522	7.0124	6.7062	6.1787	6.1787	6.7062	6.5509	6.7062	6.1080	5.8289	6.1787	5.5236	4.6446	4.8697	4.1447
C10	4.5435	4.1447	2.8705	2.4861	3.7211	4.1447	3.6024	2.3678	1.4634		1.4072	2.4861	3.6024	4.6446	4.8697	5.8289	6.1787	5.5236	5.5236	4.6446	3.6024	2.4861	2.8705	2.4861	1.4634	2.3678	3.6024	4.5435	4.5435	5.4389	6.1787	6.1787	5.4389	5.2383	4.1447	3.7211	4.5435	4.1447	4.8697	5.8289	6.1787	6.7489	6.7489	7.0009	7.1522	7.0009	6.7062	6.1080	5.5236	5.8289	6.5509	6.7062	7.0124	6.7062	6.5509	6.7062	6.1080	5.5236	5.8289	5.2383
C11	4.5435	3.7211	2.4861	2.8705	4.1447	4.8697	4.6446	3.6024	2.4861	1.4072		1.4634	2.3678	3.6024	4.1447	5.2383	5.4389	4.5435	4.5435	3.6024	2.3678	1.4634	2.4861	2.8705	2.4861	3.6024	4.6446	5.5236	5.5236	6.1787	6.7489	6.7489	6.1787	5.8289	4.8697	4.1447	4.5435	3.7211	4.1447	5.2383	5.4389	6.1787	6.1787	6.7062	7.0124	6.7062	6.5509	5.8289	5.5236	6.1080	6.7062	7.0009	7.1522	7.0009	6.7062	6.5509	5.8289	5.5236	6.1080	5.8289
C12	3.6024	2.4861	1.4072	2.4861	3.6024	4.6446	4.8697	4.1447	2.8705	2.4861	1.4634		1.4634	2.4861	2.8705	4.1447	4.5435	3.7211	4.1447	3.6024	2.3678	2.3678	3.6024	4.1447	3.7211	4.5435	5.5236	6.1080	5.8289	6.1787	6.7489	7.0009	6.7062	6.5509	5.8289	5.2383	5.4389	4.5435	4.5435	5.4389	5.2383	5.8289	5.5236	6.1080	6.7062	6.5509	6.7062	6.1787	6.1787	6.7062	7.0124	7.1522	7.0009	6.7489	6.1787	5.8289	4.8697	4.6446	5.5236	5.5236
C13	4.1447	2.8705	2.4861	3.7211	4.5435	5.5236	5.8289	5.2383	4.1447	3.6024	2.3678	1.4634		1.4072	2.4861	3.6024	3.6024	2.4861	2.8705	2.4861	1.4634	2.3678	3.6024	4.5435	4.5435	5.4389	6.1787	6.7062	6.5509	6.7062	7.0009	7.1522	7.0124	6.7062	6.1787	5.4389	5.2383	4.1447	3.7211	4.5435	4.1447	4.8697	4.6446	5.5236	6.1787	5.8289	6.1080	5.5236	5.8289	6.5509	6.7062	7.0009	6.7489	6.7489	6.1787	5.5236	4.6446	4.8697	5.8289	6.1080
C14	3.7211	2.4861	2.8705	4.1447	4.5435	5.5236	6.1080	5.8289	4.8697	4.6446	3.6024	2.4861	1.4072		1.4634	2.3678	2.3678	1.4634	2.4861	2.8705	2.4861	3.6024	4.6446	5.5236	5.5236	6.1787	6.7489	7.0009	6.7062	6.5509	6.7062	7.0124	7.1522	7.0009	6.7489	6.1787	5.8289	4.8697	4.1447	4.5435	3.7211	4.1447	3.6024	4.5435	5.4389	5.2383	5.8289	5.5236	6.1080	6.7062	6.5509	6.7062	6.1787	6.1787	5.4389	4.5435	3.6024	4.1447	5.2383	5.8289
C15	2.4861	1.4072	2.4861	3.6024	3.6024	4.6446	5.5236	5.5236	4.6446	4.8697	4.1447	2.8705	2.4861	1.4634		1.4634	2.3678	2.3678	3.6024	4.1447	3.7211	4.5435	5.5236	6.1080	5.8289	6.1787	6.7489	6.7489	6.1787	5.8289	6.1080	6.7062	7.0009	7.1522	7.0009	6.7062	6.5509	5.8289	5.2383	5.4389	4.5435	4.5435	3.6024	4.1447	5.2383	5.4389	6.1787	6.1787	6.7062	7.0124	6.7062	6.5509	5.8289	5.5236	4.5435	3.7211	2.4861	2.8705	4.1447	4.8697
C16	2.8705	2.4861	3.7211	4.5435	4.1447	4.8697	5.8289	6.1080	5.5236	5.8289	5.2383	4.1447	3.6024	2.3678	1.4634		1.4634	2.3678	3.6024	4.5435	4.5435	5.4389	6.1787	6.7062	6.5509	6.7062	7.0009	6.7489	6.1787	5.5236	5.5236	6.1787	6.7489	7.0009	7.1522	7.0124	6.7062	6.1787	5.4389	5.2383	4.1447	3.7211	2.4861	2.8705	4.1447	4.5435	5.5236	5.8289	6.5509	6.7062	6.1080	5.8289	4.8697	4.6446	3.6024	2.4861	1.4072	2.4861	3.6024	4.6446
C17	4.1447	3.6024	4.5435	5.4389	5.2383	5.8289	6.5509	6.7062	6.1787	6.1787	5.4389	4.5435	3.6024	2.3678	2.3678	1.4634		1.4634	2.4861	3.7211	4.1447	5.2383	5.8289	6.5509	6.7062	7.0124	7.1522	7.0009	6.7062	6.1080	5.8289	6.1787	6.7489	6.7489	7.0009	6.7062	6.1080	5.5236	4.5435	4.1447	2.8705	2.4861	1.4072	2.4861	3.6024	3.6024	4.6446	4.8697	5.8289	6.1787	5.5236	5.5236	4.6446	4.8697	4.1447	2.8705	2.4861	3.7211	4.5435	5.5236
C18	4.5435	3.6024	4.1447	5.2383	5.4389	6.1787	6.7062	6.5509	5.8289	5.5236	4.5435	3.7211	2.4861	1.4634	2.3678	2.3678	1.4634		1.4072	2.4861	2.8705	4.1447	4.8697	5.8289	6.1080	6.7062	7.0009	7.1522	7.0124	6.7062	6.5509	6.7062	7.0009	6.7489	6.7489	6.1787	5.5236	4.6446	3.6024	3.6024	2.4861	2.8705	2.4861	3.7211	4.5435	4.1447	4.8697	4.6446	5.5236	6.1787	5.8289	6.1080	5.5236	5.8289	5.2383	4.1447	3.6024	4.5435	5.4389	6.1787
C19	5.5236	4.6446	4.8697	5.8289	6.1787	6.7489	7.0009	6.7062	6.1080	5.5236	4.5435	4.1447	2.8705	2.4861	3.6024	3.6024	2.4861	1.4072		1.4634	2.4861	3.7211	4.1447	5.2383	5.8289	6.5509	6.7062	7.0124	7.1522	7.0009	6.7062	6.5509	6.7062	6.1787	6.1787	5.4389	4.5435	3.6024	2.3678	2.3678	1.4634	2.4861	2.8705	4.1447	4.5435	3.7211	4.1447	3.6024	4.5435	5.4389	5.2383	5.8289	5.5236	6.1080	5.8289	4.8697	4.6446	5.5236	6.1787	6.7489
C20	5.8289	4.8697	4.6446	5.5236	6.1787	6.7489	6.7489	6.1787	5.5236	4.6446	3.6024	3.6024	2.4861	2.8705	4.1447	4.5435	3.7211	2.4861	1.4634		1.4072	2.4861	2.8705	4.1447	4.8697	5.8289	6.1080	6.7062	7.0009	7.1522	7.0124	6.7062	6.5509	5.8289	5.5236	4.5435	3.7211	2.4861	1.4634	2.3678	2.3678	3.6024	4.1447	5.2383	5.4389	4.5435	4.5435	3.6024	4.1447	5.2383	5.4389	6.1787	6.1787	6.7062	6.5509	5.8289	5.5236	6.1080	6.7062	7.0009
C21	5.2383	4.1447	3.6024	4.5435	5.4389	6.1787	6.1787	5.4389	4.5435	3.6024	2.3678	2.3678	1.4634	2.4861	3.7211	4.5435	4.1447	2.8705	2.4861	1.4072		1.4634	2.4861	3.7211	4.1447	5.2383	5.8289	6.5509	6.7062	7.0124	7.1522	7.0009	6.7062	6.1080	5.5236	4.5435	4.1447	2.8705	2.4861	3.6024	3.6024	4.6446	4.8697	5.8289	6.1787	5.5236	5.5236	4.6446	4.8697	5.8289	6.1787	6.7489	6.7489	7.0009	6.7062	6.1080	5.5236	5.8289	6.5509	6.7062
C22	5.4389	4.5435	3.6024	4.1447	5.2383	5.8289	5.5236	4.5435	3.7211	2.4861	1.4634	2.3678	2.3678	3.6024	4.5435	5.4389	5.2383	4.1447	3.7211	2.4861	1.4634		1.4072	2.4861	2.8705	4.1447	4.8697	5.8289	6.1080	6.7062	7.0009	6.7489	6.1787	5.5236	4.6446	3.6024	3.6024	2.4861	2.8705	4.1447	4.5435	5.5236	5.8289	6.5509	6.7062	6.1080	5.8289	4.8697	4.6446	5.5236	6.1787	6.7489	7.0009	7.1522	7.0124	6.7062	6.1787	6.1787	6.7062	6.5509
C23	6.1787	5.5236	4.6446	4.8697	5.8289	6.1080	5.5236	4.5435	4.1447	2.8705	2.4861	3.6024	3.6024	4.6446	5.5236	6.1787	5.8289	4.8697	4.1447	2.8705	2.4861	1.4072		1.4634	2.4861	3.7211	4.1447	5.2383	5.8289	6.5509	6.7062	6.1787	5.4389	4.5435	3.6024	2.3678	2.3678	1.4634	2.4861	3.7211	4.5435	5.5236	6.1080	6.7062	6.5509	5.8289	5.2383	4.1447	3.6024	4.5435	5.4389	6.1787	6.7062	7.0124	7.1522	7.0009	6.7489	6.7489	7.0009	6.7062
C24	6.1787	5.8289	4.8697	4.6446	5.5236	5.5236	4.6446	3.6024	3.6024	2.4861	2.8705	4.1447	4.5435	5.5236	6.1080	6.7062	6.5509	5.8289	5.2383	4.1447	3.7211	2.4861	1.4634		1.4072	2.4861	2.8705	4.1447	4.8697	5.8289	6.1080	5.5236	4.5435	3.7211	2.4861	1.4634	2.3678	2.3678	3.6024	4.5435	5.4389	6.1787	6.7062	7.0124	6.7062	6.1787	5.4389	4.5435	3.6024	4.1447	5.2383	5.8289	6.5509	6.7062	7.0009	7.1522	7.0009	6.7489	6.7489	6.1787
C25	5.4389	5.2383	4.1447	3.6024	4.5435	4.5435	3.6024	2.3678	2.3678	1.4634	2.4861	3.7211	4.5435	5.5236	5.8289	6.5509	6.7062	6.1080	5.8289	4.8697	4.1447	2.8705	2.4861	1.4072		1.4634	2.4861	3.7211	4.1447	5.2383	5.8289	5.5236	4.5435	4.1447	2.8705	2.4861	3.6024	3.6024	4.6446	5.5236	6.1787	6.7489	7.0009	7.1522	7.0009	6.7489	6.1787	5.5236	4.6446	4.8697	5.8289	6.1080	6.7062	6.5509	6.7062	7.0124	6.7062	6.1787	6.1787	5.4389
C26	5.2383	5.4389	4.5435	3.6024	4.1447	3.7211	2.4861	1.4634	2.3678	2.3678	3.6024	4.5435	5.4389	6.1787	6.1787	6.7062	7.0124	6.7062	6.5509	5.8289	5.2383	4.1447	3.7211	2.4861	1.4634		1.4072	2.4861	2.8705	4.1447	4.8697	4.6446	3.6024	3.6024	2.4861	2.8705	4.1447	4.5435	5.5236	6.1080	6.7062	7.0009	7.1522	7.0009	6.7489	6.7489	6.1787	5.8289	4.8697	4.6446	5.5236	5.5236	6.1787	5.8289	6.1080	6.7062	6.5509	5.8289	5.5236	4.5435
C27	5.8289	6.1787	5.5236	4.6446	4.8697	4.1447	2.8705	2.4861	3.6024	3.6024	4.6446	5.5236	6.1787	6.7489	6.7489	7.0009	7.1522	7.0009	6.7062	6.1080	5.8289	4.8697	4.1447	2.8705	2.4861	1.4072		1.4634	2.4861	3.7211	4.1447	3.6024	2.3678	2.3678	1.4634	2.4861	3.7211	4.5435	5.5236	5.8289	6.5509	6.7062	7.0124	6.7062	6.1787	6.1787	5.4389	5.2383	4.1447	3.6024	4.5435	4.5435	5.4389	5.2383	5.8289	6.5509	6.7062	6.1080	5.5236	4.5435
C28	5.5236	6.1787	5.8289	4.8697	4.6446	3.6024	2.4861	2.8705	4.1447	4.5435	5.5236	6.1080	6.7062	7.0009	6.7489	6.7489	7.0009	7.1522	7.0124	6.7062	6.5509	5.8289	5.2383	4.1447	3.7211	2.4861	1.4634		1.4072	2.4861	2.8705	2.4861	1.4634	2.3678	2.3678	3.6024	4.5435	5.4389	6.1787	6.1787	6.7062	6.5509	6.7062	6.1080	5.5236	5.8289	5.2383	5.4389	4.5435	3.6024	4.1447	3.7211	4.5435	4.1447	4.8697	5.8289	6.1787	5.5236	4.6446	3.6024
C29	4.5435	5.4389	5.2383	4.1447	3.6024	2.3678	1.4634	2.4861	3.7211	4.5435	5.5236	5.8289	6.5509	6.7062	6.1787	6.1787	6.7062	7.0124	7.1522	7.0009	6.7062	6.1080	5.8289	4.8697	4.1447	2.8705	2.4861	1.4072		1.4634	2.4861	2.8705	2.4861	3.6024	3.6024	4.6446	5.5236	6.1787	6.7489	6.7489	7.0009	6.7062	6.5509	5.8289	5.5236	6.1080	5.8289	6.1787	5.5236	4.6446	4.8697	4.1447	4.5435	3.7211	4.1447	5.2383	5.4389	4.5435	3.6024	2.3678
C30	4.1447	5.2383	5.4389	4.5435	3.6024	2.3678	2.3678	3.6024	4.5435	5.4389	6.1787	6.1787	6.7062	6.5509	5.8289	5.5236	6.1080	6.7062	7.0009	7.1522	7.0124	6.7062	6.5509	5.8289	5.2383	4.1447	3.7211	2.4861	1.4634		1.4072	2.4861	2.8705	4.1447	4.5435	5.5236	6.1080	6.7062	7.0009	6.7489	6.7489	6.1787	5.8289	4.8697	4.6446	5.5236	5.5236	6.1787	5.8289	4.8697	4.6446	3.6024	3.6024	2.4861	2.8705	4.1447	4.5435	3.7211	2.4861	1.4634
C31	4.8697	5.8289	6.1787	5.5236	4.6446	3.6024	3.6024	4.6446	5.5236	6.1787	6.7489	6.7489	7.0009	6.7062	6.1080	5.5236	5.8289	6.5509	6.7062	7.0124	7.1522	7.0009	6.7062	6.1080	5.8289	4.8697	4.1447	2.8705	2.4861	1.4072		1.4634	2.4861	3.7211	4.5435	5.5236	5.8289	6.5509	6.7062	6.1787	6.1787	5.4389	5.2383	4.1447	3.6024	4.5435	4.5435	5.4389	5.2383	4.1447	3.6024	2.3678	2.3678	1.4634	2.4861	3.7211	4.5435	4.1447	2.8705	2.4861
C32	5.8289	6.5509	6.7062	6.1080	5.5236	4.5435	4.1447	4.8697	5.8289	6.1787	6.7489	7.0009	7.1522	7.0124	6.7062	6.1787	6.1787	6.7062	6.5509	6.7062	7.0009	6.7489	6.1787	5.5236	5.5236	4.6446	3.6024	2.4861	2.8705	2.4861	1.4634		1.4072	2.4861	3.6024	4.6446	4.8697	5.8289	6.1080	5.5236	5.8289	5.2383	5.4389	4.5435	3.6024	4.1447	3.7211	4.5435	4.1447	2.8705	2.4861	1.4634	2.3678	2.3678	3.6024	4.5435	5.4389	5.2383	4.1447	3.7211
C33	6.1080	6.7062	6.5509	5.8289	5.5236	4.5435	3.7211	4.1447	5.2383	5.4389	6.1787	6.7062	7.0124	7.1522	7.0009	6.7489	6.7489	7.0009	6.7062	6.5509	6.7062	6.1787	5.4389	4.5435	4.5435	3.6024	2.3678	1.4634	2.4861	2.8705	2.4861	1.4072		1.4634	2.3678	3.6024	4.1447	5.2383	5.8289	5.5236	6.1080	5.8289	6.1787	5.5236	4.6446	4.8697	4.1447	4.5435	3.7211	2.4861	2.8705	2.4861	3.6024	3.6024	4.6446	5.5236	6.1787	5.8289	4.8697	4.1447
C34	6.7062	7.0124	6.7062	6.1787	6.1787	5.4389	4.5435	4.5435	5.4389	5.2383	5.8289	6.5509	6.7062	7.0009	7.1522	7.0009	6.7489	6.7489	6.1787	5.8289	6.1080	5.5236	4.5435	3.7211	4.1447	3.6024	2.3678	2.3678	3.6024	4.1447	3.7211	2.4861	1.4634		1.4634	2.4861	2.8705	4.1447	4.8697	4.6446	5.5236	5.5236	6.1787	5.8289	4.8697	4.6446	3.6024	3.6024	2.4861	1.4072	2.4861	2.8705	4.1447	4.5435	5.5236	6.1080	6.7062	6.5509	5.8289	5.2383
C35	6.5509	6.7062	6.1080	5.5236	5.8289	5.2383	4.1447	3.7211	4.5435	4.1447	4.8697	5.8289	6.1787	6.7489	7.0009	7.1522	7.0009	6.7489	6.1787	5.5236	5.5236	4.6446	3.6024	2.4861	2.8705	2.4861	1.4634	2.3678	3.6024	4.5435	4.5435	3.6024	2.3678	1.4634		1.4072	2.4861	3.6024	4.6446	4.8697	5.8289	6.1080	6.7062	6.5509	5.8289	5.5236	4.5435	4.1447	2.8705	2.4861	3.7211	4.1447	5.2383	5.4389	6.1787	6.7062	7.0124	6.7062	6.1787	5.4389
C36	6.7062	6.5509	5.8289	5.5236	6.1080	5.8289	4.8697	4.1447	4.5435	3.7211	4.1447	5.2383	5.4389	6.1787	6.7062	7.0124	6.7062	6.1787	5.4389	4.5435	4.5435	3.6024	2.3678	1.4634	2.4861	2.8705	2.4861	3.6024	4.6446	5.5236	5.5236	4.6446	3.6024	2.4861	1.4072		1.4634	2.3678	3.6024	4.1447	5.2383	5.8289	6.5509	6.7062	6.1080	5.5236	4.5435	3.7211	2.4861	2.8705	4.1447	4.8697	5.8289	6.1787	6.7489	7.0009	7.1522	7.0009	6.7489	6.1787
C37	7.0124	6.7062	6.1787	6.1787	6.7062	6.5509	5.8289	5.2383	5.4389	4.5435	4.5435	5.4389	5.2383	5.8289	6.5509	6.7062	6.1080	5.5236	4.5435	3.7211	4.1447	3.6024	2.3678	2.3678	3.6024	4.1447	3.7211	4.5435	5.5236	6.1080	5.8289	4.8697	4.1447	2.8705	2.4861	1.4634		1.4634	2.4861	2.8705	4.1447	4.8697	5.8289	6.1787	5.5236	4.6446	3.6024	2.4861	1.4072	2.4861	3.6024	4.6446	5.5236	6.1787	6.7489	6.7489	7.0009	7.1522	7.0009	6.7062
C38	6.7062	6.1080	5.5236	5.8289	6.5509	6.7062	6.1787	5.4389	5.2383	4.1447	3.7211	4.5435	4.1447	4.8697	5.8289	6.1787	5.5236	4.6446	3.6024	2.4861	2.8705	2.4861	1.4634	2.3678	3.6024	4.5435	4.5435	5.4389	6.1787	6.7062	6.5509	5.8289	5.2383	4.1447	3.6024	2.3678	1.4634		1.4072	2.4861	3.6024	4.6446	5.5236	6.1787	5.8289	4.8697	4.1447	2.8705	2.4861	3.7211	4.5435	5.5236	6.1080	6.7062	7.0009	6.7489	6.7489	7.0009	7.1522	7.0124
C39	6.5509	5.8289	5.5236	6.1080	6.7062	7.0009	6.7489	6.1787	5.8289	4.8697	4.1447	4.5435	3.7211	4.1447	5.2383	5.4389	4.5435	3.6024	2.3678	1.4634	2.4861	2.8705	2.4861	3.6024	4.6446	5.5236	5.5236	6.1787	6.7489	7.0009	6.7062	6.1080	5.8289	4.8697	4.6446	3.6024	2.4861	1.4072		1.4634	2.3678	3.6024	4.5435	5.4389	5.2383	4.1447	3.7211	2.4861	2.8705	4.1447	4.5435	5.5236	5.8289	6.5509	6.7062	6.1787	6.1787	6.7062	7.0124	7.1522
C40	6.7062	6.1787	6.1787	6.7062	7.0124	7.1522	7.0009	6.7062	6.5509	5.8289	5.2383	5.4389	4.5435	4.5435	5.4389	5.2383	4.1447	3.6024	2.3678	2.3678	3.6024	4.1447	3.7211	4.5435	5.5236	6.1080	5.8289	6.1787	6.7489	6.7489	6.1787	5.5236	5.5236	4.6446	4.8697	4.1447	2.8705	2.4861	1.4634		1.4634	2.4861	3.7211	4.5435	4.1447	2.8705	2.4861	1.4072	2.4861	3.6024	3.6024	4.6446	4.8697	5.8289	6.1080	5.5236	5.8289	6.5509	6.7062	7.0009
C41	6.1080	5.5236	5.8289	6.5509	6.7062	7.0009	7.1522	7.0124	6.7062	6.1787	5.4389	5.2383	4.1447	3.7211	4.5435	4.1447	2.8705	2.4861	1.4634	2.3678	3.6024	4.5435	4.5435	5.4389	6.1787	6.7062	6.5509	6.7062	7.0009	6.7489	6.1787	5.8289	6.1080	5.5236	5.8289	5.2383	4.1447	3.6024	2.3678	1.4634		1.4072	2.4861	3.6024	3.6024	2.4861	2.8705	2.4861	3.7211	4.5435	4.1447	4.8697	4.6446	5.5236	5.5236	4.6446	4.8697	5.8289	6.1787	6.7489
C42	5.8289	5.5236	6.1080	6.7062	6.5509	6.7062	7.0124	7.1522	7.0009	6.7489	6.1787	5.8289	4.8697	4.1447	4.5435	3.7211	2.4861	2.8705	2.4861	3.6024	4.6446	5.5236	5.5236	6.1787	6.7489	7.0009	6.7062	6.5509	6.7062	6.1787	5.4389	5.2383	5.8289	5.5236	6.1080	5.8289	4.8697	4.6446	3.6024	2.4861	1.4072		1.4634	2.3678	2.3678	1.4634	2.4861	2.8705	4.1447	4.5435	3.7211	4.1447	3.6024	4.5435	4.5435	3.6024	4.1447	5.2383	5.4389	6.1787
C43	4.8697	4.6446	5.5236	6.1787	5.8289	6.1080	6.7062	7.0009	6.7489	6.7489	6.1787	5.5236	4.6446	3.6024	3.6024	2.4861	1.4072	2.4861	2.8705	4.1447	4.8697	5.8289	6.1080	6.7062	7.0009	7.1522	7.0124	6.7062	6.5509	5.8289	5.2383	5.4389	6.1787	6.1787	6.7062	6.5509	5.8289	5.5236	4.5435	3.7211	2.4861	1.4634		1.4634	2.3678	2.3678	3.6024	4.1447	5.2383	5.4389	4.5435	4.5435	3.6024	4.1447	3.7211	2.4861	2.8705	4.1447	4.5435	5.5236
C44	4.6446	4.8697	5.8289	6.1787	5.5236	5.5236	6.1787	6.7489	6.7489	7.0009	6.7062	6.1080	5.5236	4.5435	4.1447	2.8705	2.4861	3.7211	4.1447	5.2383	5.8289	6.5509	6.7062	7.0124	7.1522	7.0009	6.7062	6.1080	5.8289	4.8697	4.1447	4.5435	5.5236	5.8289	6.5509	6.7062	6.1787	6.1787	5.4389	4.5435	3.6024	2.3678	1.4634		1.4634	2.3678	3.6024	4.5435	5.4389	5.2383	4.1447	3.7211	2.4861	2.8705	2.4861	1.4072	2.4861	3.6024	3.6024	4.6446
C45	5.5236	5.8289	6.5509	6.7062	6.1080	5.8289	6.1787	6.7489	7.0009	7.1522	7.0124	6.7062	6.1787	5.4389	5.2383	4.1447	3.6024	4.5435	4.5435	5.4389	6.1787	6.7062	6.5509	6.7062	7.0009	6.7489	6.1787	5.5236	5.5236	4.6446	3.6024	3.6024	4.6446	4.8697	5.8289	6.1080	5.5236	5.8289	5.2383	4.1447	3.6024	2.3678	2.3678	1.4634		1.4634	2.4861	3.7211	4.5435	4.1447	2.8705	2.4861	1.4072	2.4861	2.8705	2.4861	3.7211	4.5435	4.1447	4.8697
C46	6.1787	6.1787	6.7062	7.0124	6.7062	6.5509	6.7062	7.0009	7.1522	7.0009	6.7062	6.5509	5.8289	5.2383	5.4389	4.5435	3.6024	4.1447	3.7211	4.5435	5.5236	6.1080	5.8289	6.1787	6.7489	6.7489	6.1787	5.8289	6.1080	5.5236	4.5435	4.1447	4.8697	4.6446	5.5236	5.5236	4.6446	4.8697	4.1447	2.8705	2.4861	1.4634	2.3678	2.3678	1.4634		1.4072	2.4861	3.6024	3.6024	2.4861	2.8705	2.4861	3.7211	4.1447	3.6024	4.5435	5.4389	5.2383	5.8289
C47	6.7489	6.7489	7.0009	7.1522	7.0009	6.7062	6.5509	6.7062	7.0124	6.7062	6.5509	6.7062	6.1080	5.8289	6.1787	5.5236	4.6446	4.8697	4.1447	4.5435	5.5236	5.8289	5.2383	5.4389	6.1787	6.1787	5.4389	5.2383	5.8289	5.5236	4.5435	3.7211	4.1447	3.6024	4.5435	4.5435	3.6024	4.1447	3.7211	2.4861	2.8705	2.4861	3.6024	3.6024	2.4861	1.4072		1.4634	2.3678	2.3678	1.4634	2.4861	2.8705	4.1447	4.8697	4.6446	5.5236	6.1787	5.8289	6.1080
C48	7.0009	6.7489	6.7489	7.0009	7.1522	7.0124	6.7062	6.5509	6.7062	6.1080	5.8289	6.1787	5.5236	5.5236	6.1787	5.8289	4.8697	4.6446	3.6024	3.6024	4.6446	4.8697	4.1447	4.5435	5.5236	5.8289	5.2383	5.4389	6.1787	6.1787	5.4389	4.5435	4.5435	3.6024	4.1447	3.7211	2.4861	2.8705	2.4861	1.4072	2.4861	2.8705	4.1447	4.5435	3.7211	2.4861	1.4634		1.4634	2.3678	2.3678	3.6024	4.1447	5.2383	5.8289	5.5236	6.1080	6.7062	6.5509	6.7062
C49	7.1522	7.0009	6.7489	6.7489	7.0009	6.7062	6.1080	5.8289	6.1787	5.5236	5.5236	6.1787	5.8289	6.1080	6.7062	6.5509	5.8289	5.5236	4.5435	4.1447	4.8697	4.6446	3.6024	3.6024	4.6446	4.8697	4.1447	4.5435	5.5236	5.8289	5.2383	4.1447	3.7211	2.4861	2.8705	2.4861	1.4072	2.4861	2.8705	2.4861	3.7211	4.1447	5.2383	5.4389	4.5435	3.6024	2.3678	1.4634		1.4634	2.3678	3.6024	4.5435	5.4389	6.1787	6.1787	6.7062	7.0124	6.7062	6.5509
C50	7.0009	7.1522	7.0009	6.7489	6.7489	6.1787	5.5236	5.5236	6.1787	5.8289	6.1080	6.7062	6.5509	6.7062	7.0124	6.7062	6.1787	6.1787	5.4389	5.2383	5.8289	5.5236	4.5435	4.1447	4.8697	4.6446	3.6024	3.6024	4.6446	4.8697	4.1447	2.8705	2.4861	1.4072	2.4861	2.8705	2.4861	3.7211	4.1447	3.6024	4.5435	4.5435	5.4389	5.2383	4.1447	3.6024	2.3678	2.3678	1.4634		1.4634	2.4861	3.7211	4.5435	5.5236	5.8289	6.5509	6.7062	6.1080	5.8289
C51	6.7489	7.0009	7.1522	7.0009	6.7489	6.1787	5.8289	6.1080	6.7062	6.5509	6.7062	7.0124	6.7062	6.5509	6.7062	6.1080	5.5236	5.8289	5.2383	5.4389	6.1787	6.1787	5.4389	5.2383	5.8289	5.5236	4.5435	4.1447	4.8697	4.6446	3.6024	2.4861	2.8705	2.4861	3.7211	4.1447	3.6024	4.5435	4.5435	3.6024	4.1447	3.7211	4.5435	4.1447	2.8705	2.4861	1.4634	2.3678	2.3678	1.4634		1.4072	2.4861	3.6024	4.6446	4.8697	5.8289	6.1787	5.5236	5.5236
C52	6.1787	6.7062	7.0124	6.7062	6.1787	5.4389	5.2383	5.8289	6.5509	6.7062	7.0009	7.1522	7.0009	6.7062	6.5509	5.8289	5.5236	6.1080	5.8289	6.1787	6.7489	6.7489	6.1787	5.8289	6.1080	5.5236	4.5435	3.7211	4.1447	3.6024	2.3678	1.4634	2.4861	2.8705	4.1447	4.8697	4.6446	5.5236	5.5236	4.6446	4.8697	4.1447	4.5435	3.7211	2.4861	2.8705	2.4861	3.6024	3.6024	2.4861	1.4072		1.4634	2.3678	3.6024	4.1447	5.2383	5.4389	4.5435	4.5435
C53	5.5236	6.1080	6.7062	6.5509	5.8289	5.2383	5.4389	6.1787	6.7062	7.0124	7.1522	7.0009	6.7489	6.1787	5.8289	4.8697	4.6446	5.5236	5.5236	6.1787	6.7489	7.0009	6.7062	6.5509	6.7062	6.1787	5.4389	4.5435	4.5435	3.6024	2.3678	2.3678	3.6024	4.1447	5.2383	5.8289	5.5236	6.1080	5.8289	4.8697	4.6446	3.6024	3.6024	2.4861	1.4072	2.4861	2.8705	4.1447	4.5435	3.7211	2.4861	1.4634		1.4634	2.4861	2.8705	4.1447	4.5435	3.7211	4.1447
C54	4.6446	5.5236	6.1787	5.8289	4.8697	4.1447	4.5435	5.5236	6.1080	6.7062	7.0009	6.7489	6.7489	6.1787	5.5236	4.6446	4.8697	5.8289	6.1080	6.7062	7.0009	7.1522	7.0124	6.7062	6.5509	5.8289	5.2383	4.1447	3.7211	2.4861	1.4634	2.3678	3.6024	4.5435	5.4389	6.1787	6.1787	6.7062	6.5509	5.8289	5.5236	4.5435	4.1447	2.8705	2.4861	3.7211	4.1447	5.2383	5.4389	4.5435	3.6024	2.3678	1.4634		1.4072	2.4861	3.6024	3.6024	2.4861	2.8705
C55	3.6024	4.5435	5.4389	5.2383	4.1447	3.7211	4.5435	5.5236	5.8289	6.5509	6.7062	6.1787	6.1787	5.4389	4.5435	3.6024	4.1447	5.2383	5.8289	6.5509	6.7062	7.0124	7.1522	7.0009	6.7062	6.1080	5.8289	4.8697	4.1447	2.8705	2.4861	3.6024	4.6446	5.5236	6.1787	6.7489	6.7489	7.0009	6.7062	6.1080	5.5236	4.5435	3.7211	2.4861	2.8705	4.1447	4.8697	5.8289	6.1787	5.5236	4.6446	3.6024	2.4861	1.4072		1.4634	2.3678	2.3678	1.4634	2.4861
C56	3.6024	4.1447	5.2383	5.4389	4.5435	4.5435	5.4389	6.1787	6.1787	6.7062	6.5509	5.8289	5.5236	4.5435	3.7211	2.4861	2.8705	4.1447	4.8697	5.8289	6.1080	6.7062	7.0009	7.1522	7.0124	6.7062	6.5509	5.8289	5.2383	4.1447	3.7211	4.5435	5.5236	6.1080	6.7062	7.0009	6.7489	6.7489	6.1787	5.5236	4.6446	3.6024	2.4861	1.4072	2.4861	3.6024	4.6446	5.5236	6.1787	5.8289	4.8697	4.1447	2.8705	2.4861	1.4634		1.4634	2.3678	2.3678	3.6024
C57	2.4861	2.8705	4.1447	4.5435	3.7211	4.1447	5.2383	5.8289	5.5236	6.1080	5.8289	4.8697	4.6446	3.6024	2.4861	1.4072	2.4861	3.6024	4.6446	5.5236	5.5236	6.1787	6.7489	7.0009	6.7062	6.5509	6.7062	6.1787	5.4389	4.5435	4.5435	5.4389	6.1787	6.7062	7.0124	7.1522	7.0009	6.7489	6.1787	5.8289	4.8697	4.1447	2.8705	2.4861	3.7211	4.5435	5.5236	6.1080	6.7062	6.5509	5.8289	5.2383	4.1447	3.6024	2.3678	1.4634		1.4634	2.3678	3.6024
C58	1.4072	2.4861	3.6024	3.6024	2.4861	2.8705	4.1447	4.8697	4.6446	5.5236	5.5236	4.6446	4.8697	4.1447	2.8705	2.4861	3.7211	4.5435	5.5236	6.1080	5.8289	6.1787	6.7489	6.7489	6.1787	5.8289	6.1080	5.5236	4.5435	3.7211	4.1447	5.2383	5.8289	6.5509	6.7062	7.0009	7.1522	7.0009	6.7062	6.5509	5.8289	5.2383	4.1447	3.6024	4.5435	5.4389	6.1787	6.7062	7.0124	6.7062	6.1787	5.4389	4.5435	3.6024	2.3678	2.3678	1.4634		1.4634	2.4861
C59	2.4861	3.7211	4.5435	4.1447	2.8705	2.4861	3.6024	4.6446	4.8697	5.8289	6.1080	5.5236	5.8289	5.2383	4.1447	3.6024	4.5435	5.4389	6.1787	6.7062	6.5509	6.7062	7.0009	6.7489	6.1787	5.5236	5.5236	4.6446	3.6024	2.4861	2.8705	4.1447	4.8697	5.8289	6.1787	6.7489	7.0009	7.1522	7.0124	6.7062	6.1787	5.4389	4.5435	3.6024	4.1447	5.2383	5.8289	6.5509	6.7062	6.1080	5.5236	4.5435	3.7211	2.4861	1.4634	2.3678	2.3678	1.4634		1.4072
C60	2.8705	4.1447	4.5435	3.7211	2.4861	1.4634	2.3678	3.6024	4.1447	5.2383	5.8289	5.5236	6.1080	5.8289	4.8697	4.6446	5.5236	6.1787	6.7489	7.0009	6.7062	6.5509	6.7062	6.1787	5.4389	4.5435	4.5435	3.6024	2.3678	1.4634	2.4861	3.7211	4.1447	5.2383	5.4389	6.1787	6.7062	7.0124	7.1522	7.0009	6.7489	6.1787	5.5236	4.6446	4.8697	5.8289	6.1080	6.7062	6.5509	5.8289	5.5236	4.5435	4.1447	2.8705	2.4861	3.6024	3.6024	2.4861	1.4072

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 PBEPBE/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 -331.599 0.000 0.000 y 0.000 -331.599 0.000 z 0.000 0.000 -331.599

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	70.626	0.000	0.000
y	0.000	70.626	0.000
z	0.000	0.000	70.626

<r²> (average value of r²) Ų

<r2>	4810.951
(<r2>)1/2	69.361