All results from a given calculation for C₆₀ (Buckminsterfullerene)

Energy calculated at PBEPBE/cc-pVDZ

	hartrees
Energy at 0K	-2283.753043
Energy at 298.15K	-2283.750776
HF Energy	-2283.753043
Nuclear repulsion energy	8287.469820

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/cc-pVDZ

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	1498	1489	0.00
2	Ag	490	487	0.00
3	Au	932	926	0.00
4	T1g	1278	1271	0.00
4	T1g	1278	1271	0.00
4	T1g	1278	1271	0.00
5	T1g	814	809	0.00
5	T1g	814	809	0.00
5	T1g	814	809	0.00
6	T1g	549	545	0.00
6	T1g	549	545	0.00
6	T1g	549	545	0.00
7	T1u	1457	1448	9.65
7	T1u	1457	1448	9.65
7	T1u	1457	1448	9.65
8	T1u	1199	1192	8.35
8	T1u	1199	1192	8.36
8	T1u	1199	1192	8.35
9	T1u	581	577	13.94
9	T1u	581	577	13.94
9	T1u	581	577	13.94
10	T1u	516	513	22.27
10	T1u	516	513	22.27
10	T1u	516	513	22.27
11	T2g	1343	1335	0.00
11	T2g	1343	1335	0.00
11	T2g	1343	1335	0.00
12	T2g	781	776	0.00
12	T2g	781	776	0.00
12	T2g	781	776	0.00
13	T2g	718	714	0.00
13	T2g	718	714	0.00
13	T2g	718	714	0.00
14	T2g	547	543	0.00
14	T2g	547	543	0.00
14	T2g	547	543	0.00
15	T2u	1533	1524	0.00
15	T2u	1533	1524	0.00
15	T2u	1533	1524	0.00
16	T2u	1204	1197	0.00
16	T2u	1204	1197	0.00
16	T2u	1204	1197	0.00
17	T2u	975	969	0.00
17	T2u	975	969	0.00
17	T2u	975	969	0.00
18	T2u	694	690	0.00
18	T2u	694	690	0.00
81	T2u	694	690	0.00
19	T2u	336	334	0.00
19	T2u	336	334	0.00
19	T2u	336	334	0.00
20	Gg	1505	1497	0.00
20	Gg	1505	1497	0.00
20	Gg	1505	1497	0.00
20	Gg	1505	1497	0.00
21	Gg	1309	1301	0.00
21	Gg	1309	1301	0.00
21	Gg	1309	1301	0.00
21	Gg	1309	1301	0.00
22	Gg	1098	1092	0.00
22	Gg	1098	1092	0.00
22	Gg	1098	1092	0.00
22	Gg	1098	1092	0.00
23	Gg	727	723	0.00
23	Gg	727	723	0.00
23	Gg	727	723	0.00
23	Gg	727	723	0.00
24	Gg	561	558	0.00
24	Gg	561	558	0.00
24	Gg	561	558	0.00
24	Gg	561	558	0.00
25	Gg	474	472	0.00
25	Gg	474	472	0.00
25	Gg	474	472	0.00
25	Gg	474	472	0.00
26	Gu	1444	1435	0.00
26	Gu	1444	1435	0.00
26	Gu	1444	1435	0.00
26	Gu	1444	1435	0.00
27	Gu	1318	1310	0.00
27	Gu	1318	1310	0.00
27	Gu	1318	1310	0.00
27	Gu	1318	1310	0.00
28	Gu	965	960	0.00
28	Gu	965	960	0.00
28	Gu	965	960	0.00
28	Gu	965	960	0.00
29	Gu	743	738	0.00
29	Gu	743	738	0.00
29	Gu	743	738	0.00
29	Gu	743	738	0.00
30	Gu	730	726	0.00
30	Gu	730	726	0.00
30	Gu	730	726	0.00
30	Gu	730	726	0.00
31	Gu	345	343	0.00
31	Gu	345	343	0.00
31	Gu	345	343	0.00
31	Gu	345	343	0.00
32	Hg	1574	1565	0.00
32	Hg	1574	1565	0.00
32	Hg	1574	1565	0.00
32	Hg	1574	1565	0.00
32	Hg	1574	1565	0.00
33	Hg	1444	1435	0.00
33	Hg	1444	1435	0.00
33	Hg	1444	1435	0.00
33	Hg	1444	1435	0.00
33	Hg	1444	1435	0.00
34	Hg	1263	1256	0.00
34	Hg	1263	1256	0.00
34	Hg	1263	1256	0.00
34	Hg	1263	1256	0.00
34	Hg	1263	1256	0.00
35	Hg	1106	1100	0.00
35	Hg	1106	1100	0.00
35	Hg	1106	1100	0.00
35	Hg	1106	1100	0.00
35	Hg	1106	1100	0.00
36	Hg	775	771	0.00
36	Hg	775	771	0.00
36	Hg	775	771	0.00
36	Hg	775	771	0.00
36	Hg	775	771	0.00
37	Hg	691	687	0.00
37	Hg	691	687	0.00
37	Hg	691	687	0.00
37	Hg	691	687	0.00
37	Hg	691	687	0.00
38	Hg	422	420	0.00
38	Hg	422	420	0.00
38	Hg	422	420	0.00
38	Hg	422	420	0.00
38	Hg	422	420	0.00
39	Hg	258	257	0.00
39	Hg	258	257	0.00
39	Hg	258	257	0.00
39	Hg	258	257	0.00
39	Hg	258	257	0.00
40	Hu	1564	1555	0.00
40	Hu	1564	1555	0.00
40	Hu	1564	1555	0.00
40	Hu	1564	1555	0.00
40	Hu	1564	1555	0.00
41	Hu	1344	1336	0.00
41	Hu	1344	1336	0.00
41	Hu	1344	1336	0.00
41	Hu	1344	1336	0.00
41	Hu	1344	1336	0.00
42	Hu	1218	1211	0.00
42	Hu	1218	1211	0.00
42	Hu	1218	1211	0.00
42	Hu	1218	1211	0.00
42	Hu	1218	1211	0.00
43	Hu	715	711	0.00
43	Hu	715	711	0.00
43	Hu	715	711	0.00
43	Hu	715	711	0.00
43	Hu	715	711	0.00
44	Hu	656	652	0.00
44	Hu	656	652	0.00
44	Hu	656	652	0.00
44	Hu	656	652	0.00
44	Hu	656	652	0.00
45	Hu	523	520	0.00
45	Hu	523	520	0.00
45	Hu	523	520	0.00
45	Hu	523	520	0.00
45	Hu	523	520	0.00
46	Hu	397	395	0.00
46	Hu	397	395	0.00
46	Hu	397	395	0.00
46	Hu	397	395	0.00
46	Hu	397	395	0.00

Unscaled Zero Point Vibrational Energy (zpe) 80559.2 cm^-1
Scaled (by 0.9942) Zero Point Vibrational Energy (zpe) 80091.9 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/cc-pVDZ

A	B	C
0.00276	0.00276	0.00276

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

Geometric Data calculated at PBEPBE/cc-pVDZ

Point Group is I_h

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.240	3.344
C2	-1.179	0.383	3.344
C3	-0.729	-1.003	3.344
C4	0.729	-1.003	3.344
C5	1.179	0.383	3.344
C6	2.317	0.753	2.605
C7	3.046	-0.250	1.838
C8	2.612	-1.588	1.838
C9	1.432	-1.971	2.605
C10	0.703	-2.975	1.838
C11	-0.703	-2.975	1.838
C12	-1.432	-1.971	2.605
C13	-2.612	-1.588	1.838
C14	-3.046	-0.250	1.838
C15	-2.317	0.753	2.605
C16	-2.317	1.993	1.838
C17	-3.046	1.756	0.598
C18	-3.497	0.370	0.598
C19	-3.497	-0.370	-0.598
C20	-3.046	-1.756	-0.598
C21	-2.612	-2.354	0.598
C22	-1.432	-3.211	0.598
C23	-0.729	-3.440	-0.598
C24	0.729	-3.440	-0.598
C25	1.432	-3.211	0.598
C26	2.612	-2.354	0.598
C27	3.046	-1.756	-0.598
C28	3.497	-0.370	-0.598
C29	3.497	0.370	0.598
C30	3.046	1.756	0.598
C31	2.612	2.354	-0.598
C32	2.612	1.588	-1.838
C33	3.046	0.250	-1.838
C34	2.317	-0.753	-2.605
C35	2.317	-1.993	-1.838
C36	1.179	-2.820	-1.838
C37	0.000	-2.437	-2.605
C38	-1.179	-2.820	-1.838
C39	-2.317	-1.993	-1.838
C40	-2.317	-0.753	-2.605
C41	-3.046	0.250	-1.838
C42	-2.612	1.588	-1.838
C43	-2.612	2.354	-0.598
C44	-1.432	3.211	-0.598
C45	-0.703	2.975	-1.838
C46	-1.432	1.971	-2.605
C47	-0.729	1.003	-3.344
C48	-1.179	-0.383	-3.344
C49	0.000	-1.240	-3.344
C50	1.179	-0.383	-3.344
C51	0.729	1.003	-3.344
C52	1.432	1.971	-2.605
C53	0.703	2.975	-1.838
C54	1.432	3.211	-0.598
C55	0.729	3.440	0.598
C56	-0.729	3.440	0.598
C57	-1.179	2.820	1.838
C58	0.000	2.437	2.605
C59	1.179	2.820	1.838
C60	2.317	1.993	1.838

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		1.4579	2.3589	2.3589	1.4579	2.4808	3.7107	4.1337	3.5932	4.5306	4.5306	3.5932	4.1337	3.7107	2.4808	2.8644	4.1337	4.5306	5.5103	5.8139	5.2233	5.4230	6.1626	6.1626	5.4230	5.2233	5.8139	5.5103	4.5306	4.1337	4.8586	5.8139	6.0926	6.6884	6.5333	6.6884	6.9936	6.6884	6.5333	6.6884	6.0926	5.8139	4.8586	4.6347	5.5103	6.1626	6.7324	6.9831	7.1337	6.9831	6.7324	6.1626	5.5103	4.6347	3.5932	3.5932	2.4808	1.4065	2.4808	2.8644
C2	1.4579		1.4579	2.3589	2.3589	3.5932	4.5306	4.5306	3.5932	4.1337	3.7107	2.4808	2.8644	2.4808	1.4065	2.4808	3.5932	3.5932	4.6347	4.8586	4.1337	4.5306	5.5103	5.8139	5.2233	5.4230	6.1626	6.1626	5.4230	5.2233	5.8139	6.5333	6.6884	6.9936	6.6884	6.5333	6.6884	6.0926	5.8139	6.1626	5.5103	5.5103	4.6347	4.8586	5.8139	6.1626	6.7324	6.7324	6.9831	7.1337	6.9831	6.6884	6.0926	5.5103	4.5306	4.1337	2.8644	2.4808	3.7107	4.1337
C3	2.3589	1.4579		1.4579	2.3589	3.5932	4.1337	3.7107	2.4808	2.8644	2.4808	1.4065	2.4808	2.8644	2.4808	3.7107	4.5306	4.1337	4.8586	4.6347	3.5932	3.5932	4.6347	4.8586	4.1337	4.5306	5.5103	5.8139	5.2233	5.4230	6.1626	6.6884	6.5333	6.6884	6.0926	5.8139	6.1626	5.5103	5.5103	6.1626	5.8139	6.0926	5.5103	5.8139	6.5333	6.6884	6.9831	6.7324	6.7324	6.9831	7.1337	6.9936	6.6884	6.1626	5.4230	5.2233	4.1337	3.5932	4.5306	4.5306
C4	2.3589	2.3589	1.4579		1.4579	2.4808	2.8644	2.4808	1.4065	2.4808	2.8644	2.4808	3.7107	4.1337	3.5932	4.5306	5.4230	5.2233	5.8139	5.5103	4.5306	4.1337	4.8586	4.6347	3.5932	3.5932	4.6347	4.8586	4.1337	4.5306	5.5103	6.0926	5.8139	6.1626	5.5103	5.5103	6.1626	5.8139	6.0926	6.6884	6.5333	6.6884	6.1626	6.1626	6.6884	6.9936	7.1337	6.9831	6.7324	6.7324	6.9831	6.6884	6.5333	5.8139	5.2233	5.4230	4.5306	3.5932	4.1337	3.7107
C5	1.4579	2.3589	2.3589	1.4579		1.4065	2.4808	2.8644	2.4808	3.7107	4.1337	3.5932	4.5306	4.5306	3.5932	4.1337	5.2233	5.4230	6.1626	6.1626	5.4230	5.2233	5.8139	5.5103	4.5306	4.1337	4.8586	4.6347	3.5932	3.5932	4.6347	5.5103	5.5103	6.1626	5.8139	6.0926	6.6884	6.5333	6.6884	6.9936	6.6884	6.5333	5.8139	5.5103	6.0926	6.6884	6.9831	7.1337	6.9831	6.7324	6.7324	6.1626	5.8139	4.8586	4.1337	4.5306	3.7107	2.4808	2.8644	2.4808
C6	2.4808	3.5932	3.5932	2.4808	1.4065		1.4579	2.4808	2.8644	4.1337	4.8586	4.6347	5.5103	5.5103	4.6347	4.8586	5.8139	6.1626	6.7324	6.7324	6.1626	5.8139	6.0926	5.5103	4.5306	3.7107	4.1337	3.5932	2.3589	2.3589	3.5932	4.5306	4.5306	5.4230	5.2233	5.8139	6.5333	6.6884	6.9831	7.1337	6.9831	6.6884	6.0926	5.5103	5.8139	6.5333	6.6884	6.9936	6.6884	6.1626	6.1626	5.4230	5.2233	4.1337	3.7107	4.5306	4.1337	2.8644	2.4808	1.4579
C7	3.7107	4.5306	4.1337	2.8644	2.4808	1.4579		1.4065	2.4808	3.5932	4.6347	4.8586	5.8139	6.0926	5.5103	5.8139	6.5333	6.6884	6.9831	6.7324	6.1626	5.5103	5.5103	4.6347	3.5932	2.4808	2.8644	2.4808	1.4579	2.3589	3.5932	4.1337	3.7107	4.5306	4.1337	4.8586	5.8139	6.1626	6.7324	6.9831	7.1337	6.9936	6.6884	6.1626	6.1626	6.6884	6.5333	6.6884	6.0926	5.5103	5.8139	5.2233	5.4230	4.5306	4.5306	5.4230	5.2233	4.1337	3.5932	2.3589
C8	4.1337	4.5306	3.7107	2.4808	2.8644	2.4808	1.4065		1.4579	2.3589	3.5932	4.1337	5.2233	5.8139	5.5103	6.0926	6.6884	6.5333	6.6884	6.1626	5.4230	4.5306	4.5306	3.5932	2.3589	1.4579	2.4808	2.8644	2.4808	3.5932	4.6347	4.8586	4.1337	4.5306	3.7107	4.1337	5.2233	5.4230	6.1626	6.6884	6.9936	7.1337	6.9831	6.7324	6.7324	6.9831	6.6884	6.5333	5.8139	5.5103	6.0926	5.8139	6.1626	5.5103	5.5103	6.1626	5.8139	4.8586	4.6347	3.5932
C9	3.5932	3.5932	2.4808	1.4065	2.4808	2.8644	2.4808	1.4579		1.4579	2.4808	2.8644	4.1337	4.8586	4.6347	5.5103	6.1626	5.8139	6.0926	5.5103	4.5306	3.7107	4.1337	3.5932	2.3589	2.3589	3.5932	4.1337	3.7107	4.5306	5.5103	5.8139	5.2233	5.4230	4.5306	4.5306	5.4230	5.2233	5.8139	6.5333	6.6884	6.9831	6.7324	6.7324	6.9831	7.1337	6.9936	6.6884	6.1626	6.1626	6.6884	6.5333	6.6884	6.0926	5.8139	6.1626	5.5103	4.6347	4.8586	4.1337
C10	4.5306	4.1337	2.8644	2.4808	3.7107	4.1337	3.5932	2.3589	1.4579		1.4065	2.4808	3.5932	4.6347	4.8586	5.8139	6.1626	5.5103	5.5103	4.6347	3.5932	2.4808	2.8644	2.4808	1.4579	2.3589	3.5932	4.5306	4.5306	5.4230	6.1626	6.1626	5.4230	5.2233	4.1337	3.7107	4.5306	4.1337	4.8586	5.8139	6.1626	6.7324	6.7324	6.9831	7.1337	6.9831	6.6884	6.0926	5.5103	5.8139	6.5333	6.6884	6.9936	6.6884	6.5333	6.6884	6.0926	5.5103	5.8139	5.2233
C11	4.5306	3.7107	2.4808	2.8644	4.1337	4.8586	4.6347	3.5932	2.4808	1.4065		1.4579	2.3589	3.5932	4.1337	5.2233	5.4230	4.5306	4.5306	3.5932	2.3589	1.4579	2.4808	2.8644	2.4808	3.5932	4.6347	5.5103	5.5103	6.1626	6.7324	6.7324	6.1626	5.8139	4.8586	4.1337	4.5306	3.7107	4.1337	5.2233	5.4230	6.1626	6.1626	6.6884	6.9936	6.6884	6.5333	5.8139	5.5103	6.0926	6.6884	6.9831	7.1337	6.9831	6.6884	6.5333	5.8139	5.5103	6.0926	5.8139
C12	3.5932	2.4808	1.4065	2.4808	3.5932	4.6347	4.8586	4.1337	2.8644	2.4808	1.4579		1.4579	2.4808	2.8644	4.1337	4.5306	3.7107	4.1337	3.5932	2.3589	2.3589	3.5932	4.1337	3.7107	4.5306	5.5103	6.0926	5.8139	6.1626	6.7324	6.9831	6.6884	6.5333	5.8139	5.2233	5.4230	4.5306	4.5306	5.4230	5.2233	5.8139	5.5103	6.0926	6.6884	6.5333	6.6884	6.1626	6.1626	6.6884	6.9936	7.1337	6.9831	6.7324	6.1626	5.8139	4.8586	4.6347	5.5103	5.5103
C13	4.1337	2.8644	2.4808	3.7107	4.5306	5.5103	5.8139	5.2233	4.1337	3.5932	2.3589	1.4579		1.4065	2.4808	3.5932	3.5932	2.4808	2.8644	2.4808	1.4579	2.3589	3.5932	4.5306	4.5306	5.4230	6.1626	6.6884	6.5333	6.6884	6.9831	7.1337	6.9936	6.6884	6.1626	5.4230	5.2233	4.1337	3.7107	4.5306	4.1337	4.8586	4.6347	5.5103	6.1626	5.8139	6.0926	5.5103	5.8139	6.5333	6.6884	6.9831	6.7324	6.7324	6.1626	5.5103	4.6347	4.8586	5.8139	6.0926
C14	3.7107	2.4808	2.8644	4.1337	4.5306	5.5103	6.0926	5.8139	4.8586	4.6347	3.5932	2.4808	1.4065		1.4579	2.3589	2.3589	1.4579	2.4808	2.8644	2.4808	3.5932	4.6347	5.5103	5.5103	6.1626	6.7324	6.9831	6.6884	6.5333	6.6884	6.9936	7.1337	6.9831	6.7324	6.1626	5.8139	4.8586	4.1337	4.5306	3.7107	4.1337	3.5932	4.5306	5.4230	5.2233	5.8139	5.5103	6.0926	6.6884	6.5333	6.6884	6.1626	6.1626	5.4230	4.5306	3.5932	4.1337	5.2233	5.8139
C15	2.4808	1.4065	2.4808	3.5932	3.5932	4.6347	5.5103	5.5103	4.6347	4.8586	4.1337	2.8644	2.4808	1.4579		1.4579	2.3589	2.3589	3.5932	4.1337	3.7107	4.5306	5.5103	6.0926	5.8139	6.1626	6.7324	6.7324	6.1626	5.8139	6.0926	6.6884	6.9831	7.1337	6.9831	6.6884	6.5333	5.8139	5.2233	5.4230	4.5306	4.5306	3.5932	4.1337	5.2233	5.4230	6.1626	6.1626	6.6884	6.9936	6.6884	6.5333	5.8139	5.5103	4.5306	3.7107	2.4808	2.8644	4.1337	4.8586
C16	2.8644	2.4808	3.7107	4.5306	4.1337	4.8586	5.8139	6.0926	5.5103	5.8139	5.2233	4.1337	3.5932	2.3589	1.4579		1.4579	2.3589	3.5932	4.5306	4.5306	5.4230	6.1626	6.6884	6.5333	6.6884	6.9831	6.7324	6.1626	5.5103	5.5103	6.1626	6.7324	6.9831	7.1337	6.9936	6.6884	6.1626	5.4230	5.2233	4.1337	3.7107	2.4808	2.8644	4.1337	4.5306	5.5103	5.8139	6.5333	6.6884	6.0926	5.8139	4.8586	4.6347	3.5932	2.4808	1.4065	2.4808	3.5932	4.6347
C17	4.1337	3.5932	4.5306	5.4230	5.2233	5.8139	6.5333	6.6884	6.1626	6.1626	5.4230	4.5306	3.5932	2.3589	2.3589	1.4579		1.4579	2.4808	3.7107	4.1337	5.2233	5.8139	6.5333	6.6884	6.9936	7.1337	6.9831	6.6884	6.0926	5.8139	6.1626	6.7324	6.7324	6.9831	6.6884	6.0926	5.5103	4.5306	4.1337	2.8644	2.4808	1.4065	2.4808	3.5932	3.5932	4.6347	4.8586	5.8139	6.1626	5.5103	5.5103	4.6347	4.8586	4.1337	2.8644	2.4808	3.7107	4.5306	5.5103
C18	4.5306	3.5932	4.1337	5.2233	5.4230	6.1626	6.6884	6.5333	5.8139	5.5103	4.5306	3.7107	2.4808	1.4579	2.3589	2.3589	1.4579		1.4065	2.4808	2.8644	4.1337	4.8586	5.8139	6.0926	6.6884	6.9831	7.1337	6.9936	6.6884	6.5333	6.6884	6.9831	6.7324	6.7324	6.1626	5.5103	4.6347	3.5932	3.5932	2.4808	2.8644	2.4808	3.7107	4.5306	4.1337	4.8586	4.6347	5.5103	6.1626	5.8139	6.0926	5.5103	5.8139	5.2233	4.1337	3.5932	4.5306	5.4230	6.1626
C19	5.5103	4.6347	4.8586	5.8139	6.1626	6.7324	6.9831	6.6884	6.0926	5.5103	4.5306	4.1337	2.8644	2.4808	3.5932	3.5932	2.4808	1.4065		1.4579	2.4808	3.7107	4.1337	5.2233	5.8139	6.5333	6.6884	6.9936	7.1337	6.9831	6.6884	6.5333	6.6884	6.1626	6.1626	5.4230	4.5306	3.5932	2.3589	2.3589	1.4579	2.4808	2.8644	4.1337	4.5306	3.7107	4.1337	3.5932	4.5306	5.4230	5.2233	5.8139	5.5103	6.0926	5.8139	4.8586	4.6347	5.5103	6.1626	6.7324
C20	5.8139	4.8586	4.6347	5.5103	6.1626	6.7324	6.7324	6.1626	5.5103	4.6347	3.5932	3.5932	2.4808	2.8644	4.1337	4.5306	3.7107	2.4808	1.4579		1.4065	2.4808	2.8644	4.1337	4.8586	5.8139	6.0926	6.6884	6.9831	7.1337	6.9936	6.6884	6.5333	5.8139	5.5103	4.5306	3.7107	2.4808	1.4579	2.3589	2.3589	3.5932	4.1337	5.2233	5.4230	4.5306	4.5306	3.5932	4.1337	5.2233	5.4230	6.1626	6.1626	6.6884	6.5333	5.8139	5.5103	6.0926	6.6884	6.9831
C21	5.2233	4.1337	3.5932	4.5306	5.4230	6.1626	6.1626	5.4230	4.5306	3.5932	2.3589	2.3589	1.4579	2.4808	3.7107	4.5306	4.1337	2.8644	2.4808	1.4065		1.4579	2.4808	3.7107	4.1337	5.2233	5.8139	6.5333	6.6884	6.9936	7.1337	6.9831	6.6884	6.0926	5.5103	4.5306	4.1337	2.8644	2.4808	3.5932	3.5932	4.6347	4.8586	5.8139	6.1626	5.5103	5.5103	4.6347	4.8586	5.8139	6.1626	6.7324	6.7324	6.9831	6.6884	6.0926	5.5103	5.8139	6.5333	6.6884
C22	5.4230	4.5306	3.5932	4.1337	5.2233	5.8139	5.5103	4.5306	3.7107	2.4808	1.4579	2.3589	2.3589	3.5932	4.5306	5.4230	5.2233	4.1337	3.7107	2.4808	1.4579		1.4065	2.4808	2.8644	4.1337	4.8586	5.8139	6.0926	6.6884	6.9831	6.7324	6.1626	5.5103	4.6347	3.5932	3.5932	2.4808	2.8644	4.1337	4.5306	5.5103	5.8139	6.5333	6.6884	6.0926	5.8139	4.8586	4.6347	5.5103	6.1626	6.7324	6.9831	7.1337	6.9936	6.6884	6.1626	6.1626	6.6884	6.5333
C23	6.1626	5.5103	4.6347	4.8586	5.8139	6.0926	5.5103	4.5306	4.1337	2.8644	2.4808	3.5932	3.5932	4.6347	5.5103	6.1626	5.8139	4.8586	4.1337	2.8644	2.4808	1.4065		1.4579	2.4808	3.7107	4.1337	5.2233	5.8139	6.5333	6.6884	6.1626	5.4230	4.5306	3.5932	2.3589	2.3589	1.4579	2.4808	3.7107	4.5306	5.5103	6.0926	6.6884	6.5333	5.8139	5.2233	4.1337	3.5932	4.5306	5.4230	6.1626	6.6884	6.9936	7.1337	6.9831	6.7324	6.7324	6.9831	6.6884
C24	6.1626	5.8139	4.8586	4.6347	5.5103	5.5103	4.6347	3.5932	3.5932	2.4808	2.8644	4.1337	4.5306	5.5103	6.0926	6.6884	6.5333	5.8139	5.2233	4.1337	3.7107	2.4808	1.4579		1.4065	2.4808	2.8644	4.1337	4.8586	5.8139	6.0926	5.5103	4.5306	3.7107	2.4808	1.4579	2.3589	2.3589	3.5932	4.5306	5.4230	6.1626	6.6884	6.9936	6.6884	6.1626	5.4230	4.5306	3.5932	4.1337	5.2233	5.8139	6.5333	6.6884	6.9831	7.1337	6.9831	6.7324	6.7324	6.1626
C25	5.4230	5.2233	4.1337	3.5932	4.5306	4.5306	3.5932	2.3589	2.3589	1.4579	2.4808	3.7107	4.5306	5.5103	5.8139	6.5333	6.6884	6.0926	5.8139	4.8586	4.1337	2.8644	2.4808	1.4065		1.4579	2.4808	3.7107	4.1337	5.2233	5.8139	5.5103	4.5306	4.1337	2.8644	2.4808	3.5932	3.5932	4.6347	5.5103	6.1626	6.7324	6.9831	7.1337	6.9831	6.7324	6.1626	5.5103	4.6347	4.8586	5.8139	6.0926	6.6884	6.5333	6.6884	6.9936	6.6884	6.1626	6.1626	5.4230
C26	5.2233	5.4230	4.5306	3.5932	4.1337	3.7107	2.4808	1.4579	2.3589	2.3589	3.5932	4.5306	5.4230	6.1626	6.1626	6.6884	6.9936	6.6884	6.5333	5.8139	5.2233	4.1337	3.7107	2.4808	1.4579		1.4065	2.4808	2.8644	4.1337	4.8586	4.6347	3.5932	3.5932	2.4808	2.8644	4.1337	4.5306	5.5103	6.0926	6.6884	6.9831	7.1337	6.9831	6.7324	6.7324	6.1626	5.8139	4.8586	4.6347	5.5103	5.5103	6.1626	5.8139	6.0926	6.6884	6.5333	5.8139	5.5103	4.5306
C27	5.8139	6.1626	5.5103	4.6347	4.8586	4.1337	2.8644	2.4808	3.5932	3.5932	4.6347	5.5103	6.1626	6.7324	6.7324	6.9831	7.1337	6.9831	6.6884	6.0926	5.8139	4.8586	4.1337	2.8644	2.4808	1.4065		1.4579	2.4808	3.7107	4.1337	3.5932	2.3589	2.3589	1.4579	2.4808	3.7107	4.5306	5.5103	5.8139	6.5333	6.6884	6.9936	6.6884	6.1626	6.1626	5.4230	5.2233	4.1337	3.5932	4.5306	4.5306	5.4230	5.2233	5.8139	6.5333	6.6884	6.0926	5.5103	4.5306
C28	5.5103	6.1626	5.8139	4.8586	4.6347	3.5932	2.4808	2.8644	4.1337	4.5306	5.5103	6.0926	6.6884	6.9831	6.7324	6.7324	6.9831	7.1337	6.9936	6.6884	6.5333	5.8139	5.2233	4.1337	3.7107	2.4808	1.4579		1.4065	2.4808	2.8644	2.4808	1.4579	2.3589	2.3589	3.5932	4.5306	5.4230	6.1626	6.1626	6.6884	6.5333	6.6884	6.0926	5.5103	5.8139	5.2233	5.4230	4.5306	3.5932	4.1337	3.7107	4.5306	4.1337	4.8586	5.8139	6.1626	5.5103	4.6347	3.5932
C29	4.5306	5.4230	5.2233	4.1337	3.5932	2.3589	1.4579	2.4808	3.7107	4.5306	5.5103	5.8139	6.5333	6.6884	6.1626	6.1626	6.6884	6.9936	7.1337	6.9831	6.6884	6.0926	5.8139	4.8586	4.1337	2.8644	2.4808	1.4065		1.4579	2.4808	2.8644	2.4808	3.5932	3.5932	4.6347	5.5103	6.1626	6.7324	6.7324	6.9831	6.6884	6.5333	5.8139	5.5103	6.0926	5.8139	6.1626	5.5103	4.6347	4.8586	4.1337	4.5306	3.7107	4.1337	5.2233	5.4230	4.5306	3.5932	2.3589
C30	4.1337	5.2233	5.4230	4.5306	3.5932	2.3589	2.3589	3.5932	4.5306	5.4230	6.1626	6.1626	6.6884	6.5333	5.8139	5.5103	6.0926	6.6884	6.9831	7.1337	6.9936	6.6884	6.5333	5.8139	5.2233	4.1337	3.7107	2.4808	1.4579		1.4065	2.4808	2.8644	4.1337	4.5306	5.5103	6.0926	6.6884	6.9831	6.7324	6.7324	6.1626	5.8139	4.8586	4.6347	5.5103	5.5103	6.1626	5.8139	4.8586	4.6347	3.5932	3.5932	2.4808	2.8644	4.1337	4.5306	3.7107	2.4808	1.4579
C31	4.8586	5.8139	6.1626	5.5103	4.6347	3.5932	3.5932	4.6347	5.5103	6.1626	6.7324	6.7324	6.9831	6.6884	6.0926	5.5103	5.8139	6.5333	6.6884	6.9936	7.1337	6.9831	6.6884	6.0926	5.8139	4.8586	4.1337	2.8644	2.4808	1.4065		1.4579	2.4808	3.7107	4.5306	5.5103	5.8139	6.5333	6.6884	6.1626	6.1626	5.4230	5.2233	4.1337	3.5932	4.5306	4.5306	5.4230	5.2233	4.1337	3.5932	2.3589	2.3589	1.4579	2.4808	3.7107	4.5306	4.1337	2.8644	2.4808
C32	5.8139	6.5333	6.6884	6.0926	5.5103	4.5306	4.1337	4.8586	5.8139	6.1626	6.7324	6.9831	7.1337	6.9936	6.6884	6.1626	6.1626	6.6884	6.5333	6.6884	6.9831	6.7324	6.1626	5.5103	5.5103	4.6347	3.5932	2.4808	2.8644	2.4808	1.4579		1.4065	2.4808	3.5932	4.6347	4.8586	5.8139	6.0926	5.5103	5.8139	5.2233	5.4230	4.5306	3.5932	4.1337	3.7107	4.5306	4.1337	2.8644	2.4808	1.4579	2.3589	2.3589	3.5932	4.5306	5.4230	5.2233	4.1337	3.7107
C33	6.0926	6.6884	6.5333	5.8139	5.5103	4.5306	3.7107	4.1337	5.2233	5.4230	6.1626	6.6884	6.9936	7.1337	6.9831	6.7324	6.7324	6.9831	6.6884	6.5333	6.6884	6.1626	5.4230	4.5306	4.5306	3.5932	2.3589	1.4579	2.4808	2.8644	2.4808	1.4065		1.4579	2.3589	3.5932	4.1337	5.2233	5.8139	5.5103	6.0926	5.8139	6.1626	5.5103	4.6347	4.8586	4.1337	4.5306	3.7107	2.4808	2.8644	2.4808	3.5932	3.5932	4.6347	5.5103	6.1626	5.8139	4.8586	4.1337
C34	6.6884	6.9936	6.6884	6.1626	6.1626	5.4230	4.5306	4.5306	5.4230	5.2233	5.8139	6.5333	6.6884	6.9831	7.1337	6.9831	6.7324	6.7324	6.1626	5.8139	6.0926	5.5103	4.5306	3.7107	4.1337	3.5932	2.3589	2.3589	3.5932	4.1337	3.7107	2.4808	1.4579		1.4579	2.4808	2.8644	4.1337	4.8586	4.6347	5.5103	5.5103	6.1626	5.8139	4.8586	4.6347	3.5932	3.5932	2.4808	1.4065	2.4808	2.8644	4.1337	4.5306	5.5103	6.0926	6.6884	6.5333	5.8139	5.2233
C35	6.5333	6.6884	6.0926	5.5103	5.8139	5.2233	4.1337	3.7107	4.5306	4.1337	4.8586	5.8139	6.1626	6.7324	6.9831	7.1337	6.9831	6.7324	6.1626	5.5103	5.5103	4.6347	3.5932	2.4808	2.8644	2.4808	1.4579	2.3589	3.5932	4.5306	4.5306	3.5932	2.3589	1.4579		1.4065	2.4808	3.5932	4.6347	4.8586	5.8139	6.0926	6.6884	6.5333	5.8139	5.5103	4.5306	4.1337	2.8644	2.4808	3.7107	4.1337	5.2233	5.4230	6.1626	6.6884	6.9936	6.6884	6.1626	5.4230
C36	6.6884	6.5333	5.8139	5.5103	6.0926	5.8139	4.8586	4.1337	4.5306	3.7107	4.1337	5.2233	5.4230	6.1626	6.6884	6.9936	6.6884	6.1626	5.4230	4.5306	4.5306	3.5932	2.3589	1.4579	2.4808	2.8644	2.4808	3.5932	4.6347	5.5103	5.5103	4.6347	3.5932	2.4808	1.4065		1.4579	2.3589	3.5932	4.1337	5.2233	5.8139	6.5333	6.6884	6.0926	5.5103	4.5306	3.7107	2.4808	2.8644	4.1337	4.8586	5.8139	6.1626	6.7324	6.9831	7.1337	6.9831	6.7324	6.1626
C37	6.9936	6.6884	6.1626	6.1626	6.6884	6.5333	5.8139	5.2233	5.4230	4.5306	4.5306	5.4230	5.2233	5.8139	6.5333	6.6884	6.0926	5.5103	4.5306	3.7107	4.1337	3.5932	2.3589	2.3589	3.5932	4.1337	3.7107	4.5306	5.5103	6.0926	5.8139	4.8586	4.1337	2.8644	2.4808	1.4579		1.4579	2.4808	2.8644	4.1337	4.8586	5.8139	6.1626	5.5103	4.6347	3.5932	2.4808	1.4065	2.4808	3.5932	4.6347	5.5103	6.1626	6.7324	6.7324	6.9831	7.1337	6.9831	6.6884
C38	6.6884	6.0926	5.5103	5.8139	6.5333	6.6884	6.1626	5.4230	5.2233	4.1337	3.7107	4.5306	4.1337	4.8586	5.8139	6.1626	5.5103	4.6347	3.5932	2.4808	2.8644	2.4808	1.4579	2.3589	3.5932	4.5306	4.5306	5.4230	6.1626	6.6884	6.5333	5.8139	5.2233	4.1337	3.5932	2.3589	1.4579		1.4065	2.4808	3.5932	4.6347	5.5103	6.1626	5.8139	4.8586	4.1337	2.8644	2.4808	3.7107	4.5306	5.5103	6.0926	6.6884	6.9831	6.7324	6.7324	6.9831	7.1337	6.9936
C39	6.5333	5.8139	5.5103	6.0926	6.6884	6.9831	6.7324	6.1626	5.8139	4.8586	4.1337	4.5306	3.7107	4.1337	5.2233	5.4230	4.5306	3.5932	2.3589	1.4579	2.4808	2.8644	2.4808	3.5932	4.6347	5.5103	5.5103	6.1626	6.7324	6.9831	6.6884	6.0926	5.8139	4.8586	4.6347	3.5932	2.4808	1.4065		1.4579	2.3589	3.5932	4.5306	5.4230	5.2233	4.1337	3.7107	2.4808	2.8644	4.1337	4.5306	5.5103	5.8139	6.5333	6.6884	6.1626	6.1626	6.6884	6.9936	7.1337
C40	6.6884	6.1626	6.1626	6.6884	6.9936	7.1337	6.9831	6.6884	6.5333	5.8139	5.2233	5.4230	4.5306	4.5306	5.4230	5.2233	4.1337	3.5932	2.3589	2.3589	3.5932	4.1337	3.7107	4.5306	5.5103	6.0926	5.8139	6.1626	6.7324	6.7324	6.1626	5.5103	5.5103	4.6347	4.8586	4.1337	2.8644	2.4808	1.4579		1.4579	2.4808	3.7107	4.5306	4.1337	2.8644	2.4808	1.4065	2.4808	3.5932	3.5932	4.6347	4.8586	5.8139	6.0926	5.5103	5.8139	6.5333	6.6884	6.9831
C41	6.0926	5.5103	5.8139	6.5333	6.6884	6.9831	7.1337	6.9936	6.6884	6.1626	5.4230	5.2233	4.1337	3.7107	4.5306	4.1337	2.8644	2.4808	1.4579	2.3589	3.5932	4.5306	4.5306	5.4230	6.1626	6.6884	6.5333	6.6884	6.9831	6.7324	6.1626	5.8139	6.0926	5.5103	5.8139	5.2233	4.1337	3.5932	2.3589	1.4579		1.4065	2.4808	3.5932	3.5932	2.4808	2.8644	2.4808	3.7107	4.5306	4.1337	4.8586	4.6347	5.5103	5.5103	4.6347	4.8586	5.8139	6.1626	6.7324
C42	5.8139	5.5103	6.0926	6.6884	6.5333	6.6884	6.9936	7.1337	6.9831	6.7324	6.1626	5.8139	4.8586	4.1337	4.5306	3.7107	2.4808	2.8644	2.4808	3.5932	4.6347	5.5103	5.5103	6.1626	6.7324	6.9831	6.6884	6.5333	6.6884	6.1626	5.4230	5.2233	5.8139	5.5103	6.0926	5.8139	4.8586	4.6347	3.5932	2.4808	1.4065		1.4579	2.3589	2.3589	1.4579	2.4808	2.8644	4.1337	4.5306	3.7107	4.1337	3.5932	4.5306	4.5306	3.5932	4.1337	5.2233	5.4230	6.1626
C43	4.8586	4.6347	5.5103	6.1626	5.8139	6.0926	6.6884	6.9831	6.7324	6.7324	6.1626	5.5103	4.6347	3.5932	3.5932	2.4808	1.4065	2.4808	2.8644	4.1337	4.8586	5.8139	6.0926	6.6884	6.9831	7.1337	6.9936	6.6884	6.5333	5.8139	5.2233	5.4230	6.1626	6.1626	6.6884	6.5333	5.8139	5.5103	4.5306	3.7107	2.4808	1.4579		1.4579	2.3589	2.3589	3.5932	4.1337	5.2233	5.4230	4.5306	4.5306	3.5932	4.1337	3.7107	2.4808	2.8644	4.1337	4.5306	5.5103
C44	4.6347	4.8586	5.8139	6.1626	5.5103	5.5103	6.1626	6.7324	6.7324	6.9831	6.6884	6.0926	5.5103	4.5306	4.1337	2.8644	2.4808	3.7107	4.1337	5.2233	5.8139	6.5333	6.6884	6.9936	7.1337	6.9831	6.6884	6.0926	5.8139	4.8586	4.1337	4.5306	5.5103	5.8139	6.5333	6.6884	6.1626	6.1626	5.4230	4.5306	3.5932	2.3589	1.4579		1.4579	2.3589	3.5932	4.5306	5.4230	5.2233	4.1337	3.7107	2.4808	2.8644	2.4808	1.4065	2.4808	3.5932	3.5932	4.6347
C45	5.5103	5.8139	6.5333	6.6884	6.0926	5.8139	6.1626	6.7324	6.9831	7.1337	6.9936	6.6884	6.1626	5.4230	5.2233	4.1337	3.5932	4.5306	4.5306	5.4230	6.1626	6.6884	6.5333	6.6884	6.9831	6.7324	6.1626	5.5103	5.5103	4.6347	3.5932	3.5932	4.6347	4.8586	5.8139	6.0926	5.5103	5.8139	5.2233	4.1337	3.5932	2.3589	2.3589	1.4579		1.4579	2.4808	3.7107	4.5306	4.1337	2.8644	2.4808	1.4065	2.4808	2.8644	2.4808	3.7107	4.5306	4.1337	4.8586
C46	6.1626	6.1626	6.6884	6.9936	6.6884	6.5333	6.6884	6.9831	7.1337	6.9831	6.6884	6.5333	5.8139	5.2233	5.4230	4.5306	3.5932	4.1337	3.7107	4.5306	5.5103	6.0926	5.8139	6.1626	6.7324	6.7324	6.1626	5.8139	6.0926	5.5103	4.5306	4.1337	4.8586	4.6347	5.5103	5.5103	4.6347	4.8586	4.1337	2.8644	2.4808	1.4579	2.3589	2.3589	1.4579		1.4065	2.4808	3.5932	3.5932	2.4808	2.8644	2.4808	3.7107	4.1337	3.5932	4.5306	5.4230	5.2233	5.8139
C47	6.7324	6.7324	6.9831	7.1337	6.9831	6.6884	6.5333	6.6884	6.9936	6.6884	6.5333	6.6884	6.0926	5.8139	6.1626	5.5103	4.6347	4.8586	4.1337	4.5306	5.5103	5.8139	5.2233	5.4230	6.1626	6.1626	5.4230	5.2233	5.8139	5.5103	4.5306	3.7107	4.1337	3.5932	4.5306	4.5306	3.5932	4.1337	3.7107	2.4808	2.8644	2.4808	3.5932	3.5932	2.4808	1.4065		1.4579	2.3589	2.3589	1.4579	2.4808	2.8644	4.1337	4.8586	4.6347	5.5103	6.1626	5.8139	6.0926
C48	6.9831	6.7324	6.7324	6.9831	7.1337	6.9936	6.6884	6.5333	6.6884	6.0926	5.8139	6.1626	5.5103	5.5103	6.1626	5.8139	4.8586	4.6347	3.5932	3.5932	4.6347	4.8586	4.1337	4.5306	5.5103	5.8139	5.2233	5.4230	6.1626	6.1626	5.4230	4.5306	4.5306	3.5932	4.1337	3.7107	2.4808	2.8644	2.4808	1.4065	2.4808	2.8644	4.1337	4.5306	3.7107	2.4808	1.4579		1.4579	2.3589	2.3589	3.5932	4.1337	5.2233	5.8139	5.5103	6.0926	6.6884	6.5333	6.6884
C49	7.1337	6.9831	6.7324	6.7324	6.9831	6.6884	6.0926	5.8139	6.1626	5.5103	5.5103	6.1626	5.8139	6.0926	6.6884	6.5333	5.8139	5.5103	4.5306	4.1337	4.8586	4.6347	3.5932	3.5932	4.6347	4.8586	4.1337	4.5306	5.5103	5.8139	5.2233	4.1337	3.7107	2.4808	2.8644	2.4808	1.4065	2.4808	2.8644	2.4808	3.7107	4.1337	5.2233	5.4230	4.5306	3.5932	2.3589	1.4579		1.4579	2.3589	3.5932	4.5306	5.4230	6.1626	6.1626	6.6884	6.9936	6.6884	6.5333
C50	6.9831	7.1337	6.9831	6.7324	6.7324	6.1626	5.5103	5.5103	6.1626	5.8139	6.0926	6.6884	6.5333	6.6884	6.9936	6.6884	6.1626	6.1626	5.4230	5.2233	5.8139	5.5103	4.5306	4.1337	4.8586	4.6347	3.5932	3.5932	4.6347	4.8586	4.1337	2.8644	2.4808	1.4065	2.4808	2.8644	2.4808	3.7107	4.1337	3.5932	4.5306	4.5306	5.4230	5.2233	4.1337	3.5932	2.3589	2.3589	1.4579		1.4579	2.4808	3.7107	4.5306	5.5103	5.8139	6.5333	6.6884	6.0926	5.8139
C51	6.7324	6.9831	7.1337	6.9831	6.7324	6.1626	5.8139	6.0926	6.6884	6.5333	6.6884	6.9936	6.6884	6.5333	6.6884	6.0926	5.5103	5.8139	5.2233	5.4230	6.1626	6.1626	5.4230	5.2233	5.8139	5.5103	4.5306	4.1337	4.8586	4.6347	3.5932	2.4808	2.8644	2.4808	3.7107	4.1337	3.5932	4.5306	4.5306	3.5932	4.1337	3.7107	4.5306	4.1337	2.8644	2.4808	1.4579	2.3589	2.3589	1.4579		1.4065	2.4808	3.5932	4.6347	4.8586	5.8139	6.1626	5.5103	5.5103
C52	6.1626	6.6884	6.9936	6.6884	6.1626	5.4230	5.2233	5.8139	6.5333	6.6884	6.9831	7.1337	6.9831	6.6884	6.5333	5.8139	5.5103	6.0926	5.8139	6.1626	6.7324	6.7324	6.1626	5.8139	6.0926	5.5103	4.5306	3.7107	4.1337	3.5932	2.3589	1.4579	2.4808	2.8644	4.1337	4.8586	4.6347	5.5103	5.5103	4.6347	4.8586	4.1337	4.5306	3.7107	2.4808	2.8644	2.4808	3.5932	3.5932	2.4808	1.4065		1.4579	2.3589	3.5932	4.1337	5.2233	5.4230	4.5306	4.5306
C53	5.5103	6.0926	6.6884	6.5333	5.8139	5.2233	5.4230	6.1626	6.6884	6.9936	7.1337	6.9831	6.7324	6.1626	5.8139	4.8586	4.6347	5.5103	5.5103	6.1626	6.7324	6.9831	6.6884	6.5333	6.6884	6.1626	5.4230	4.5306	4.5306	3.5932	2.3589	2.3589	3.5932	4.1337	5.2233	5.8139	5.5103	6.0926	5.8139	4.8586	4.6347	3.5932	3.5932	2.4808	1.4065	2.4808	2.8644	4.1337	4.5306	3.7107	2.4808	1.4579		1.4579	2.4808	2.8644	4.1337	4.5306	3.7107	4.1337
C54	4.6347	5.5103	6.1626	5.8139	4.8586	4.1337	4.5306	5.5103	6.0926	6.6884	6.9831	6.7324	6.7324	6.1626	5.5103	4.6347	4.8586	5.8139	6.0926	6.6884	6.9831	7.1337	6.9936	6.6884	6.5333	5.8139	5.2233	4.1337	3.7107	2.4808	1.4579	2.3589	3.5932	4.5306	5.4230	6.1626	6.1626	6.6884	6.5333	5.8139	5.5103	4.5306	4.1337	2.8644	2.4808	3.7107	4.1337	5.2233	5.4230	4.5306	3.5932	2.3589	1.4579		1.4065	2.4808	3.5932	3.5932	2.4808	2.8644
C55	3.5932	4.5306	5.4230	5.2233	4.1337	3.7107	4.5306	5.5103	5.8139	6.5333	6.6884	6.1626	6.1626	5.4230	4.5306	3.5932	4.1337	5.2233	5.8139	6.5333	6.6884	6.9936	7.1337	6.9831	6.6884	6.0926	5.8139	4.8586	4.1337	2.8644	2.4808	3.5932	4.6347	5.5103	6.1626	6.7324	6.7324	6.9831	6.6884	6.0926	5.5103	4.5306	3.7107	2.4808	2.8644	4.1337	4.8586	5.8139	6.1626	5.5103	4.6347	3.5932	2.4808	1.4065		1.4579	2.3589	2.3589	1.4579	2.4808
C56	3.5932	4.1337	5.2233	5.4230	4.5306	4.5306	5.4230	6.1626	6.1626	6.6884	6.5333	5.8139	5.5103	4.5306	3.7107	2.4808	2.8644	4.1337	4.8586	5.8139	6.0926	6.6884	6.9831	7.1337	6.9936	6.6884	6.5333	5.8139	5.2233	4.1337	3.7107	4.5306	5.5103	6.0926	6.6884	6.9831	6.7324	6.7324	6.1626	5.5103	4.6347	3.5932	2.4808	1.4065	2.4808	3.5932	4.6347	5.5103	6.1626	5.8139	4.8586	4.1337	2.8644	2.4808	1.4579		1.4579	2.3589	2.3589	3.5932
C57	2.4808	2.8644	4.1337	4.5306	3.7107	4.1337	5.2233	5.8139	5.5103	6.0926	5.8139	4.8586	4.6347	3.5932	2.4808	1.4065	2.4808	3.5932	4.6347	5.5103	5.5103	6.1626	6.7324	6.9831	6.6884	6.5333	6.6884	6.1626	5.4230	4.5306	4.5306	5.4230	6.1626	6.6884	6.9936	7.1337	6.9831	6.7324	6.1626	5.8139	4.8586	4.1337	2.8644	2.4808	3.7107	4.5306	5.5103	6.0926	6.6884	6.5333	5.8139	5.2233	4.1337	3.5932	2.3589	1.4579		1.4579	2.3589	3.5932
C58	1.4065	2.4808	3.5932	3.5932	2.4808	2.8644	4.1337	4.8586	4.6347	5.5103	5.5103	4.6347	4.8586	4.1337	2.8644	2.4808	3.7107	4.5306	5.5103	6.0926	5.8139	6.1626	6.7324	6.7324	6.1626	5.8139	6.0926	5.5103	4.5306	3.7107	4.1337	5.2233	5.8139	6.5333	6.6884	6.9831	7.1337	6.9831	6.6884	6.5333	5.8139	5.2233	4.1337	3.5932	4.5306	5.4230	6.1626	6.6884	6.9936	6.6884	6.1626	5.4230	4.5306	3.5932	2.3589	2.3589	1.4579		1.4579	2.4808
C59	2.4808	3.7107	4.5306	4.1337	2.8644	2.4808	3.5932	4.6347	4.8586	5.8139	6.0926	5.5103	5.8139	5.2233	4.1337	3.5932	4.5306	5.4230	6.1626	6.6884	6.5333	6.6884	6.9831	6.7324	6.1626	5.5103	5.5103	4.6347	3.5932	2.4808	2.8644	4.1337	4.8586	5.8139	6.1626	6.7324	6.9831	7.1337	6.9936	6.6884	6.1626	5.4230	4.5306	3.5932	4.1337	5.2233	5.8139	6.5333	6.6884	6.0926	5.5103	4.5306	3.7107	2.4808	1.4579	2.3589	2.3589	1.4579		1.4065
C60	2.8644	4.1337	4.5306	3.7107	2.4808	1.4579	2.3589	3.5932	4.1337	5.2233	5.8139	5.5103	6.0926	5.8139	4.8586	4.6347	5.5103	6.1626	6.7324	6.9831	6.6884	6.5333	6.6884	6.1626	5.4230	4.5306	4.5306	3.5932	2.3589	1.4579	2.4808	3.7107	4.1337	5.2233	5.4230	6.1626	6.6884	6.9936	7.1337	6.9831	6.7324	6.1626	5.5103	4.6347	4.8586	5.8139	6.0926	6.6884	6.5333	5.8139	5.5103	4.5306	4.1337	2.8644	2.4808	3.5932	3.5932	2.4808	1.4065

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/cc-pVDZ 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 -329.699 0.000 0.000 y 0.000 -329.699 0.000 z 0.000 0.000 -329.699

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	74.311	0.000	0.000
y	0.000	74.311	0.000
z	0.000	0.000	74.311

<r²> (average value of r²) Ų

<r2>	4785.949
(<r2>)1/2	69.181