All results from a given calculation for C₆₀ (Buckminsterfullerene)

Energy calculated at B1B95/6-31G

	hartrees
Energy at 0K	-2284.927913
Energy at 298.15K	-2284.927509
HF Energy	-2284.927913
Nuclear repulsion energy	8351.280071

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

Vibrational Frequencies calculated at B1B95/6-31G

Mode Number	Symmetry	Frequency (cm-1)	Scaled Frequency (cm-1)	IR Intensities (km mol-1)	Raman Act (Å4/u)	Dep P	Dep U
1	Ag	1580	1506	0.00
2	Ag	506	482	0.00
3	Au	987	941	0.00
4	T1g	1336	1274	0.00
4	T1g	1336	1274	0.00
4	T1g	1336	1274	0.00
5	T1g	860	820	0.00
5	T1g	860	820	0.00
5	T1g	860	820	0.00
6	T1g	593	565	0.00
6	T1g	593	565	0.00
6	T1g	593	565	0.00
7	T1u	1535	1464	19.81
7	T1u	1535	1464	19.82
7	T1u	1535	1464	19.81
8	T1u	1246	1189	11.12
8	T1u	1246	1189	11.10
8	T1u	1246	1189	11.12
9	T1u	600	572	9.16
9	T1u	600	572	9.16
9	T1u	600	572	9.16
10	T1u	553	528	27.14
10	T1u	553	528	27.15
10	T1u	553	528	27.14
11	T2g	1417	1351	0.00
11	T2g	1417	1351	0.00
11	T2g	1417	1351	0.00
12	T2g	834	796	0.00
12	T2g	834	796	0.00
12	T2g	834	796	0.00
13	T2g	742	708	0.00
13	T2g	742	708	0.00
13	T2g	742	708	0.00
14	T2g	582	555	0.00
14	T2g	582	555	0.00
14	T2g	582	555	0.00
15	T2u	1624	1549	0.00
15	T2u	1624	1549	0.00
15	T2u	1624	1549	0.00
16	T2u	1240	1183	0.00
16	T2u	1240	1183	0.00
16	T2u	1240	1183	0.00
17	T2u	1010	963	0.00
17	T2u	1010	963	0.00
17	T2u	1010	963	0.00
18	T2u	739	704	0.00
18	T2u	739	704	0.00
81	T2u	739	704	0.00
19	T2u	356	339	0.00
19	T2u	356	339	0.00
19	T2u	356	339	0.00
20	Gg	1594	1520	0.00
20	Gg	1594	1520	0.00
20	Gg	1594	1520	0.00
20	Gg	1594	1520	0.00
21	Gg	1373	1309	0.00
21	Gg	1373	1309	0.00
21	Gg	1373	1309	0.00
21	Gg	1373	1309	0.00
22	Gg	1133	1081	0.00
22	Gg	1133	1081	0.00
22	Gg	1133	1081	0.00
22	Gg	1133	1081	0.00
23	Gg	769	733	0.00
23	Gg	769	733	0.00
23	Gg	769	733	0.00
23	Gg	769	733	0.00
24	Gg	599	572	0.00
24	Gg	599	572	0.00
24	Gg	599	572	0.00
24	Gg	599	572	0.00
25	Gg	502	479	0.00
25	Gg	502	479	0.00
25	Gg	502	479	0.00
25	Gg	502	479	0.00
26	Gu	1523	1453	0.00
26	Gu	1523	1453	0.00
26	Gu	1523	1453	0.00
26	Gu	1523	1453	0.00
27	Gu	1384	1320	0.00
27	Gu	1384	1320	0.00
27	Gu	1384	1320	0.00
27	Gu	1384	1320	0.00
28	Gu	1007	961	0.00
28	Gu	1007	961	0.00
28	Gu	1007	961	0.00
28	Gu	1007	961	0.00
29	Gu	792	755	0.00
29	Gu	792	755	0.00
29	Gu	792	755	0.00
29	Gu	792	755	0.00
30	Gu	757	722	0.00
30	Gu	757	722	0.00
30	Gu	757	722	0.00
30	Gu	757	722	0.00
31	Gu	366	349	0.00
31	Gu	366	349	0.00
31	Gu	366	349	0.00
31	Gu	366	349	0.00
32	Hg	1673	1596	0.00
32	Hg	1673	1596	0.00
32	Hg	1673	1596	0.00
32	Hg	1673	1596	0.00
32	Hg	1673	1596	0.00
33	Hg	1521	1450	0.00
33	Hg	1521	1450	0.00
33	Hg	1521	1450	0.00
33	Hg	1521	1450	0.00
33	Hg	1521	1450	0.00
34	Hg	1324	1262	0.00
34	Hg	1324	1262	0.00
34	Hg	1324	1262	0.00
34	Hg	1324	1262	0.00
34	Hg	1324	1262	0.00
35	Hg	1156	1102	0.00
35	Hg	1156	1102	0.00
35	Hg	1156	1102	0.00
35	Hg	1156	1102	0.00
35	Hg	1156	1102	0.00
36	Hg	805	768	0.00
36	Hg	805	768	0.00
36	Hg	805	768	0.00
36	Hg	805	768	0.00
36	Hg	805	768	0.00
37	Hg	734	700	0.00
37	Hg	734	700	0.00
37	Hg	734	700	0.00
37	Hg	734	700	0.00
37	Hg	734	700	0.00
38	Hg	449	428	0.00
38	Hg	449	428	0.00
38	Hg	449	428	0.00
38	Hg	449	428	0.00
38	Hg	449	428	0.00
39	Hg	273	260	0.00
39	Hg	273	260	0.00
39	Hg	273	260	0.00
39	Hg	273	260	0.00
39	Hg	273	260	0.00
40	Hu	1664	1587	0.00
40	Hu	1664	1587	0.00
40	Hu	1664	1587	0.00
40	Hu	1664	1587	0.00
40	Hu	1664	1587	0.00
41	Hu	1410	1345	0.00
41	Hu	1410	1345	0.00
41	Hu	1410	1345	0.00
41	Hu	1410	1345	0.00
41	Hu	1410	1345	0.00
42	Hu	1280	1221	0.00
42	Hu	1280	1221	0.00
42	Hu	1280	1221	0.00
42	Hu	1280	1221	0.00
42	Hu	1280	1221	0.00
43	Hu	759	724	0.00
43	Hu	759	724	0.00
43	Hu	759	724	0.00
43	Hu	759	724	0.00
43	Hu	759	724	0.00
44	Hu	696	664	0.00
44	Hu	696	664	0.00
44	Hu	696	664	0.00
44	Hu	696	664	0.00
44	Hu	696	664	0.00
45	Hu	556	531	0.00
45	Hu	556	531	0.00
45	Hu	556	531	0.00
45	Hu	556	531	0.00
45	Hu	556	531	0.00
46	Hu	423	404	0.00
46	Hu	423	404	0.00
46	Hu	423	404	0.00
46	Hu	423	404	0.00
46	Hu	423	404	0.00

Unscaled Zero Point Vibrational Energy (zpe) 84835.5 cm^-1
Scaled (by 0.9537) Zero Point Vibrational Energy (zpe) 80907.6 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 B1B95/6-31G

A	B	C
0.00280	0.00280	0.00280

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

Geometric Data calculated at B1B95/6-31G

Point Group is I_h

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.233	3.318
C2	-1.173	0.381	3.318
C3	-0.725	-0.998	3.318
C4	0.725	-0.998	3.318
C5	1.173	0.381	3.318
C6	2.298	0.747	2.587
C7	3.023	-0.251	1.825
C8	2.593	-1.573	1.825
C9	1.420	-1.954	2.587
C10	0.695	-2.952	1.825
C11	-0.695	-2.952	1.825
C12	-1.420	-1.954	2.587
C13	-2.593	-1.573	1.825
C14	-3.023	-0.251	1.825
C15	-2.298	0.747	2.587
C16	-2.298	1.980	1.825
C17	-3.023	1.744	0.591
C18	-3.471	0.365	0.591
C19	-3.471	-0.365	-0.591
C20	-3.023	-1.744	-0.591
C21	-2.593	-2.336	0.591
C22	-1.420	-3.188	0.591
C23	-0.725	-3.414	-0.591
C24	0.725	-3.414	-0.591
C25	1.420	-3.188	0.591
C26	2.593	-2.336	0.591
C27	3.023	-1.744	-0.591
C28	3.471	-0.365	-0.591
C29	3.471	0.365	0.591
C30	3.023	1.744	0.591
C31	2.593	2.336	-0.591
C32	2.593	1.573	-1.825
C33	3.023	0.251	-1.825
C34	2.298	-0.747	-2.587
C35	2.298	-1.980	-1.825
C36	1.173	-2.797	-1.825
C37	0.000	-2.416	-2.587
C38	-1.173	-2.797	-1.825
C39	-2.298	-1.980	-1.825
C40	-2.298	-0.747	-2.587
C41	-3.023	0.251	-1.825
C42	-2.593	1.573	-1.825
C43	-2.593	2.336	-0.591
C44	-1.420	3.188	-0.591
C45	-0.695	2.952	-1.825
C46	-1.420	1.954	-2.587
C47	-0.725	0.998	-3.318
C48	-1.173	-0.381	-3.318
C49	0.000	-1.233	-3.318
C50	1.173	-0.381	-3.318
C51	0.725	0.998	-3.318
C52	1.420	1.954	-2.587
C53	0.695	2.952	-1.825
C54	1.420	3.188	-0.591
C55	0.725	3.414	0.591
C56	-0.725	3.414	0.591
C57	-1.173	2.797	1.825
C58	0.000	2.416	2.587
C59	1.173	2.797	1.825
C60	2.298	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		1.4499	2.3460	2.3460	1.4499	2.4597	3.6837	4.1025	3.5655	4.4980	4.4980	3.5655	4.1025	3.6837	2.4597	2.8400	4.1025	4.4980	5.4664	5.7691	5.1860	5.3849	6.1156	6.1156	5.3849	5.1860	5.7691	5.4664	4.4980	4.1025	4.8186	5.7691	6.0451	6.6380	6.4844	6.6380	6.9412	6.6380	6.4844	6.6380	6.0451	5.7691	4.8186	4.5953	5.4664	6.1156	6.6790	6.9290	7.0791	6.9290	6.6790	6.1156	5.4664	4.5953	3.5655	3.5655	2.4597	1.3901	2.4597	2.8400
C2	1.4499		1.4499	2.3460	2.3460	3.5655	4.4980	4.4980	3.5655	4.1025	3.6837	2.4597	2.8400	2.4597	1.3901	2.4597	3.5655	3.5655	4.5953	4.8186	4.1025	4.4980	5.4664	5.7691	5.1860	5.3849	6.1156	6.1156	5.3849	5.1860	5.7691	6.4844	6.6380	6.9412	6.6380	6.4844	6.6380	6.0451	5.7691	6.1156	5.4664	5.4664	4.5953	4.8186	5.7691	6.1156	6.6790	6.6790	6.9290	7.0791	6.9290	6.6380	6.0451	5.4664	4.4980	4.1025	2.8400	2.4597	3.6837	4.1025
C3	2.3460	1.4499		1.4499	2.3460	3.5655	4.1025	3.6837	2.4597	2.8400	2.4597	1.3901	2.4597	2.8400	2.4597	3.6837	4.4980	4.1025	4.8186	4.5953	3.5655	3.5655	4.5953	4.8186	4.1025	4.4980	5.4664	5.7691	5.1860	5.3849	6.1156	6.6380	6.4844	6.6380	6.0451	5.7691	6.1156	5.4664	5.4664	6.1156	5.7691	6.0451	5.4664	5.7691	6.4844	6.6380	6.9290	6.6790	6.6790	6.9290	7.0791	6.9412	6.6380	6.1156	5.3849	5.1860	4.1025	3.5655	4.4980	4.4980
C4	2.3460	2.3460	1.4499		1.4499	2.4597	2.8400	2.4597	1.3901	2.4597	2.8400	2.4597	3.6837	4.1025	3.5655	4.4980	5.3849	5.1860	5.7691	5.4664	4.4980	4.1025	4.8186	4.5953	3.5655	3.5655	4.5953	4.8186	4.1025	4.4980	5.4664	6.0451	5.7691	6.1156	5.4664	5.4664	6.1156	5.7691	6.0451	6.6380	6.4844	6.6380	6.1156	6.1156	6.6380	6.9412	7.0791	6.9290	6.6790	6.6790	6.9290	6.6380	6.4844	5.7691	5.1860	5.3849	4.4980	3.5655	4.1025	3.6837
C5	1.4499	2.3460	2.3460	1.4499		1.3901	2.4597	2.8400	2.4597	3.6837	4.1025	3.5655	4.4980	4.4980	3.5655	4.1025	5.1860	5.3849	6.1156	6.1156	5.3849	5.1860	5.7691	5.4664	4.4980	4.1025	4.8186	4.5953	3.5655	3.5655	4.5953	5.4664	5.4664	6.1156	5.7691	6.0451	6.6380	6.4844	6.6380	6.9412	6.6380	6.4844	5.7691	5.4664	6.0451	6.6380	6.9290	7.0791	6.9290	6.6790	6.6790	6.1156	5.7691	4.8186	4.1025	4.4980	3.6837	2.4597	2.8400	2.4597
C6	2.4597	3.5655	3.5655	2.4597	1.3901		1.4499	2.4597	2.8400	4.1025	4.8186	4.5953	5.4664	5.4664	4.5953	4.8186	5.7691	6.1156	6.6790	6.6790	6.1156	5.7691	6.0451	5.4664	4.4980	3.6837	4.1025	3.5655	2.3460	2.3460	3.5655	4.4980	4.4980	5.3849	5.1860	5.7691	6.4844	6.6380	6.9290	7.0791	6.9290	6.6380	6.0451	5.4664	5.7691	6.4844	6.6380	6.9412	6.6380	6.1156	6.1156	5.3849	5.1860	4.1025	3.6837	4.4980	4.1025	2.8400	2.4597	1.4499
C7	3.6837	4.4980	4.1025	2.8400	2.4597	1.4499		1.3901	2.4597	3.5655	4.5953	4.8186	5.7691	6.0451	5.4664	5.7691	6.4844	6.6380	6.9290	6.6790	6.1156	5.4664	5.4664	4.5953	3.5655	2.4597	2.8400	2.4597	1.4499	2.3460	3.5655	4.1025	3.6837	4.4980	4.1025	4.8186	5.7691	6.1156	6.6790	6.9290	7.0791	6.9412	6.6380	6.1156	6.1156	6.6380	6.4844	6.6380	6.0451	5.4664	5.7691	5.1860	5.3849	4.4980	4.4980	5.3849	5.1860	4.1025	3.5655	2.3460
C8	4.1025	4.4980	3.6837	2.4597	2.8400	2.4597	1.3901		1.4499	2.3460	3.5655	4.1025	5.1860	5.7691	5.4664	6.0451	6.6380	6.4844	6.6380	6.1156	5.3849	4.4980	4.4980	3.5655	2.3460	1.4499	2.4597	2.8400	2.4597	3.5655	4.5953	4.8186	4.1025	4.4980	3.6837	4.1025	5.1860	5.3849	6.1156	6.6380	6.9412	7.0791	6.9290	6.6790	6.6790	6.9290	6.6380	6.4844	5.7691	5.4664	6.0451	5.7691	6.1156	5.4664	5.4664	6.1156	5.7691	4.8186	4.5953	3.5655
C9	3.5655	3.5655	2.4597	1.3901	2.4597	2.8400	2.4597	1.4499		1.4499	2.4597	2.8400	4.1025	4.8186	4.5953	5.4664	6.1156	5.7691	6.0451	5.4664	4.4980	3.6837	4.1025	3.5655	2.3460	2.3460	3.5655	4.1025	3.6837	4.4980	5.4664	5.7691	5.1860	5.3849	4.4980	4.4980	5.3849	5.1860	5.7691	6.4844	6.6380	6.9290	6.6790	6.6790	6.9290	7.0791	6.9412	6.6380	6.1156	6.1156	6.6380	6.4844	6.6380	6.0451	5.7691	6.1156	5.4664	4.5953	4.8186	4.1025
C10	4.4980	4.1025	2.8400	2.4597	3.6837	4.1025	3.5655	2.3460	1.4499		1.3901	2.4597	3.5655	4.5953	4.8186	5.7691	6.1156	5.4664	5.4664	4.5953	3.5655	2.4597	2.8400	2.4597	1.4499	2.3460	3.5655	4.4980	4.4980	5.3849	6.1156	6.1156	5.3849	5.1860	4.1025	3.6837	4.4980	4.1025	4.8186	5.7691	6.1156	6.6790	6.6790	6.9290	7.0791	6.9290	6.6380	6.0451	5.4664	5.7691	6.4844	6.6380	6.9412	6.6380	6.4844	6.6380	6.0451	5.4664	5.7691	5.1860
C11	4.4980	3.6837	2.4597	2.8400	4.1025	4.8186	4.5953	3.5655	2.4597	1.3901		1.4499	2.3460	3.5655	4.1025	5.1860	5.3849	4.4980	4.4980	3.5655	2.3460	1.4499	2.4597	2.8400	2.4597	3.5655	4.5953	5.4664	5.4664	6.1156	6.6790	6.6790	6.1156	5.7691	4.8186	4.1025	4.4980	3.6837	4.1025	5.1860	5.3849	6.1156	6.1156	6.6380	6.9412	6.6380	6.4844	5.7691	5.4664	6.0451	6.6380	6.9290	7.0791	6.9290	6.6380	6.4844	5.7691	5.4664	6.0451	5.7691
C12	3.5655	2.4597	1.3901	2.4597	3.5655	4.5953	4.8186	4.1025	2.8400	2.4597	1.4499		1.4499	2.4597	2.8400	4.1025	4.4980	3.6837	4.1025	3.5655	2.3460	2.3460	3.5655	4.1025	3.6837	4.4980	5.4664	6.0451	5.7691	6.1156	6.6790	6.9290	6.6380	6.4844	5.7691	5.1860	5.3849	4.4980	4.4980	5.3849	5.1860	5.7691	5.4664	6.0451	6.6380	6.4844	6.6380	6.1156	6.1156	6.6380	6.9412	7.0791	6.9290	6.6790	6.1156	5.7691	4.8186	4.5953	5.4664	5.4664
C13	4.1025	2.8400	2.4597	3.6837	4.4980	5.4664	5.7691	5.1860	4.1025	3.5655	2.3460	1.4499		1.3901	2.4597	3.5655	3.5655	2.4597	2.8400	2.4597	1.4499	2.3460	3.5655	4.4980	4.4980	5.3849	6.1156	6.6380	6.4844	6.6380	6.9290	7.0791	6.9412	6.6380	6.1156	5.3849	5.1860	4.1025	3.6837	4.4980	4.1025	4.8186	4.5953	5.4664	6.1156	5.7691	6.0451	5.4664	5.7691	6.4844	6.6380	6.9290	6.6790	6.6790	6.1156	5.4664	4.5953	4.8186	5.7691	6.0451
C14	3.6837	2.4597	2.8400	4.1025	4.4980	5.4664	6.0451	5.7691	4.8186	4.5953	3.5655	2.4597	1.3901		1.4499	2.3460	2.3460	1.4499	2.4597	2.8400	2.4597	3.5655	4.5953	5.4664	5.4664	6.1156	6.6790	6.9290	6.6380	6.4844	6.6380	6.9412	7.0791	6.9290	6.6790	6.1156	5.7691	4.8186	4.1025	4.4980	3.6837	4.1025	3.5655	4.4980	5.3849	5.1860	5.7691	5.4664	6.0451	6.6380	6.4844	6.6380	6.1156	6.1156	5.3849	4.4980	3.5655	4.1025	5.1860	5.7691
C15	2.4597	1.3901	2.4597	3.5655	3.5655	4.5953	5.4664	5.4664	4.5953	4.8186	4.1025	2.8400	2.4597	1.4499		1.4499	2.3460	2.3460	3.5655	4.1025	3.6837	4.4980	5.4664	6.0451	5.7691	6.1156	6.6790	6.6790	6.1156	5.7691	6.0451	6.6380	6.9290	7.0791	6.9290	6.6380	6.4844	5.7691	5.1860	5.3849	4.4980	4.4980	3.5655	4.1025	5.1860	5.3849	6.1156	6.1156	6.6380	6.9412	6.6380	6.4844	5.7691	5.4664	4.4980	3.6837	2.4597	2.8400	4.1025	4.8186
C16	2.8400	2.4597	3.6837	4.4980	4.1025	4.8186	5.7691	6.0451	5.4664	5.7691	5.1860	4.1025	3.5655	2.3460	1.4499		1.4499	2.3460	3.5655	4.4980	4.4980	5.3849	6.1156	6.6380	6.4844	6.6380	6.9290	6.6790	6.1156	5.4664	5.4664	6.1156	6.6790	6.9290	7.0791	6.9412	6.6380	6.1156	5.3849	5.1860	4.1025	3.6837	2.4597	2.8400	4.1025	4.4980	5.4664	5.7691	6.4844	6.6380	6.0451	5.7691	4.8186	4.5953	3.5655	2.4597	1.3901	2.4597	3.5655	4.5953
C17	4.1025	3.5655	4.4980	5.3849	5.1860	5.7691	6.4844	6.6380	6.1156	6.1156	5.3849	4.4980	3.5655	2.3460	2.3460	1.4499		1.4499	2.4597	3.6837	4.1025	5.1860	5.7691	6.4844	6.6380	6.9412	7.0791	6.9290	6.6380	6.0451	5.7691	6.1156	6.6790	6.6790	6.9290	6.6380	6.0451	5.4664	4.4980	4.1025	2.8400	2.4597	1.3901	2.4597	3.5655	3.5655	4.5953	4.8186	5.7691	6.1156	5.4664	5.4664	4.5953	4.8186	4.1025	2.8400	2.4597	3.6837	4.4980	5.4664
C18	4.4980	3.5655	4.1025	5.1860	5.3849	6.1156	6.6380	6.4844	5.7691	5.4664	4.4980	3.6837	2.4597	1.4499	2.3460	2.3460	1.4499		1.3901	2.4597	2.8400	4.1025	4.8186	5.7691	6.0451	6.6380	6.9290	7.0791	6.9412	6.6380	6.4844	6.6380	6.9290	6.6790	6.6790	6.1156	5.4664	4.5953	3.5655	3.5655	2.4597	2.8400	2.4597	3.6837	4.4980	4.1025	4.8186	4.5953	5.4664	6.1156	5.7691	6.0451	5.4664	5.7691	5.1860	4.1025	3.5655	4.4980	5.3849	6.1156
C19	5.4664	4.5953	4.8186	5.7691	6.1156	6.6790	6.9290	6.6380	6.0451	5.4664	4.4980	4.1025	2.8400	2.4597	3.5655	3.5655	2.4597	1.3901		1.4499	2.4597	3.6837	4.1025	5.1860	5.7691	6.4844	6.6380	6.9412	7.0791	6.9290	6.6380	6.4844	6.6380	6.1156	6.1156	5.3849	4.4980	3.5655	2.3460	2.3460	1.4499	2.4597	2.8400	4.1025	4.4980	3.6837	4.1025	3.5655	4.4980	5.3849	5.1860	5.7691	5.4664	6.0451	5.7691	4.8186	4.5953	5.4664	6.1156	6.6790
C20	5.7691	4.8186	4.5953	5.4664	6.1156	6.6790	6.6790	6.1156	5.4664	4.5953	3.5655	3.5655	2.4597	2.8400	4.1025	4.4980	3.6837	2.4597	1.4499		1.3901	2.4597	2.8400	4.1025	4.8186	5.7691	6.0451	6.6380	6.9290	7.0791	6.9412	6.6380	6.4844	5.7691	5.4664	4.4980	3.6837	2.4597	1.4499	2.3460	2.3460	3.5655	4.1025	5.1860	5.3849	4.4980	4.4980	3.5655	4.1025	5.1860	5.3849	6.1156	6.1156	6.6380	6.4844	5.7691	5.4664	6.0451	6.6380	6.9290
C21	5.1860	4.1025	3.5655	4.4980	5.3849	6.1156	6.1156	5.3849	4.4980	3.5655	2.3460	2.3460	1.4499	2.4597	3.6837	4.4980	4.1025	2.8400	2.4597	1.3901		1.4499	2.4597	3.6837	4.1025	5.1860	5.7691	6.4844	6.6380	6.9412	7.0791	6.9290	6.6380	6.0451	5.4664	4.4980	4.1025	2.8400	2.4597	3.5655	3.5655	4.5953	4.8186	5.7691	6.1156	5.4664	5.4664	4.5953	4.8186	5.7691	6.1156	6.6790	6.6790	6.9290	6.6380	6.0451	5.4664	5.7691	6.4844	6.6380
C22	5.3849	4.4980	3.5655	4.1025	5.1860	5.7691	5.4664	4.4980	3.6837	2.4597	1.4499	2.3460	2.3460	3.5655	4.4980	5.3849	5.1860	4.1025	3.6837	2.4597	1.4499		1.3901	2.4597	2.8400	4.1025	4.8186	5.7691	6.0451	6.6380	6.9290	6.6790	6.1156	5.4664	4.5953	3.5655	3.5655	2.4597	2.8400	4.1025	4.4980	5.4664	5.7691	6.4844	6.6380	6.0451	5.7691	4.8186	4.5953	5.4664	6.1156	6.6790	6.9290	7.0791	6.9412	6.6380	6.1156	6.1156	6.6380	6.4844
C23	6.1156	5.4664	4.5953	4.8186	5.7691	6.0451	5.4664	4.4980	4.1025	2.8400	2.4597	3.5655	3.5655	4.5953	5.4664	6.1156	5.7691	4.8186	4.1025	2.8400	2.4597	1.3901		1.4499	2.4597	3.6837	4.1025	5.1860	5.7691	6.4844	6.6380	6.1156	5.3849	4.4980	3.5655	2.3460	2.3460	1.4499	2.4597	3.6837	4.4980	5.4664	6.0451	6.6380	6.4844	5.7691	5.1860	4.1025	3.5655	4.4980	5.3849	6.1156	6.6380	6.9412	7.0791	6.9290	6.6790	6.6790	6.9290	6.6380
C24	6.1156	5.7691	4.8186	4.5953	5.4664	5.4664	4.5953	3.5655	3.5655	2.4597	2.8400	4.1025	4.4980	5.4664	6.0451	6.6380	6.4844	5.7691	5.1860	4.1025	3.6837	2.4597	1.4499		1.3901	2.4597	2.8400	4.1025	4.8186	5.7691	6.0451	5.4664	4.4980	3.6837	2.4597	1.4499	2.3460	2.3460	3.5655	4.4980	5.3849	6.1156	6.6380	6.9412	6.6380	6.1156	5.3849	4.4980	3.5655	4.1025	5.1860	5.7691	6.4844	6.6380	6.9290	7.0791	6.9290	6.6790	6.6790	6.1156
C25	5.3849	5.1860	4.1025	3.5655	4.4980	4.4980	3.5655	2.3460	2.3460	1.4499	2.4597	3.6837	4.4980	5.4664	5.7691	6.4844	6.6380	6.0451	5.7691	4.8186	4.1025	2.8400	2.4597	1.3901		1.4499	2.4597	3.6837	4.1025	5.1860	5.7691	5.4664	4.4980	4.1025	2.8400	2.4597	3.5655	3.5655	4.5953	5.4664	6.1156	6.6790	6.9290	7.0791	6.9290	6.6790	6.1156	5.4664	4.5953	4.8186	5.7691	6.0451	6.6380	6.4844	6.6380	6.9412	6.6380	6.1156	6.1156	5.3849
C26	5.1860	5.3849	4.4980	3.5655	4.1025	3.6837	2.4597	1.4499	2.3460	2.3460	3.5655	4.4980	5.3849	6.1156	6.1156	6.6380	6.9412	6.6380	6.4844	5.7691	5.1860	4.1025	3.6837	2.4597	1.4499		1.3901	2.4597	2.8400	4.1025	4.8186	4.5953	3.5655	3.5655	2.4597	2.8400	4.1025	4.4980	5.4664	6.0451	6.6380	6.9290	7.0791	6.9290	6.6790	6.6790	6.1156	5.7691	4.8186	4.5953	5.4664	5.4664	6.1156	5.7691	6.0451	6.6380	6.4844	5.7691	5.4664	4.4980
C27	5.7691	6.1156	5.4664	4.5953	4.8186	4.1025	2.8400	2.4597	3.5655	3.5655	4.5953	5.4664	6.1156	6.6790	6.6790	6.9290	7.0791	6.9290	6.6380	6.0451	5.7691	4.8186	4.1025	2.8400	2.4597	1.3901		1.4499	2.4597	3.6837	4.1025	3.5655	2.3460	2.3460	1.4499	2.4597	3.6837	4.4980	5.4664	5.7691	6.4844	6.6380	6.9412	6.6380	6.1156	6.1156	5.3849	5.1860	4.1025	3.5655	4.4980	4.4980	5.3849	5.1860	5.7691	6.4844	6.6380	6.0451	5.4664	4.4980
C28	5.4664	6.1156	5.7691	4.8186	4.5953	3.5655	2.4597	2.8400	4.1025	4.4980	5.4664	6.0451	6.6380	6.9290	6.6790	6.6790	6.9290	7.0791	6.9412	6.6380	6.4844	5.7691	5.1860	4.1025	3.6837	2.4597	1.4499		1.3901	2.4597	2.8400	2.4597	1.4499	2.3460	2.3460	3.5655	4.4980	5.3849	6.1156	6.1156	6.6380	6.4844	6.6380	6.0451	5.4664	5.7691	5.1860	5.3849	4.4980	3.5655	4.1025	3.6837	4.4980	4.1025	4.8186	5.7691	6.1156	5.4664	4.5953	3.5655
C29	4.4980	5.3849	5.1860	4.1025	3.5655	2.3460	1.4499	2.4597	3.6837	4.4980	5.4664	5.7691	6.4844	6.6380	6.1156	6.1156	6.6380	6.9412	7.0791	6.9290	6.6380	6.0451	5.7691	4.8186	4.1025	2.8400	2.4597	1.3901		1.4499	2.4597	2.8400	2.4597	3.5655	3.5655	4.5953	5.4664	6.1156	6.6790	6.6790	6.9290	6.6380	6.4844	5.7691	5.4664	6.0451	5.7691	6.1156	5.4664	4.5953	4.8186	4.1025	4.4980	3.6837	4.1025	5.1860	5.3849	4.4980	3.5655	2.3460
C30	4.1025	5.1860	5.3849	4.4980	3.5655	2.3460	2.3460	3.5655	4.4980	5.3849	6.1156	6.1156	6.6380	6.4844	5.7691	5.4664	6.0451	6.6380	6.9290	7.0791	6.9412	6.6380	6.4844	5.7691	5.1860	4.1025	3.6837	2.4597	1.4499		1.3901	2.4597	2.8400	4.1025	4.4980	5.4664	6.0451	6.6380	6.9290	6.6790	6.6790	6.1156	5.7691	4.8186	4.5953	5.4664	5.4664	6.1156	5.7691	4.8186	4.5953	3.5655	3.5655	2.4597	2.8400	4.1025	4.4980	3.6837	2.4597	1.4499
C31	4.8186	5.7691	6.1156	5.4664	4.5953	3.5655	3.5655	4.5953	5.4664	6.1156	6.6790	6.6790	6.9290	6.6380	6.0451	5.4664	5.7691	6.4844	6.6380	6.9412	7.0791	6.9290	6.6380	6.0451	5.7691	4.8186	4.1025	2.8400	2.4597	1.3901		1.4499	2.4597	3.6837	4.4980	5.4664	5.7691	6.4844	6.6380	6.1156	6.1156	5.3849	5.1860	4.1025	3.5655	4.4980	4.4980	5.3849	5.1860	4.1025	3.5655	2.3460	2.3460	1.4499	2.4597	3.6837	4.4980	4.1025	2.8400	2.4597
C32	5.7691	6.4844	6.6380	6.0451	5.4664	4.4980	4.1025	4.8186	5.7691	6.1156	6.6790	6.9290	7.0791	6.9412	6.6380	6.1156	6.1156	6.6380	6.4844	6.6380	6.9290	6.6790	6.1156	5.4664	5.4664	4.5953	3.5655	2.4597	2.8400	2.4597	1.4499		1.3901	2.4597	3.5655	4.5953	4.8186	5.7691	6.0451	5.4664	5.7691	5.1860	5.3849	4.4980	3.5655	4.1025	3.6837	4.4980	4.1025	2.8400	2.4597	1.4499	2.3460	2.3460	3.5655	4.4980	5.3849	5.1860	4.1025	3.6837
C33	6.0451	6.6380	6.4844	5.7691	5.4664	4.4980	3.6837	4.1025	5.1860	5.3849	6.1156	6.6380	6.9412	7.0791	6.9290	6.6790	6.6790	6.9290	6.6380	6.4844	6.6380	6.1156	5.3849	4.4980	4.4980	3.5655	2.3460	1.4499	2.4597	2.8400	2.4597	1.3901		1.4499	2.3460	3.5655	4.1025	5.1860	5.7691	5.4664	6.0451	5.7691	6.1156	5.4664	4.5953	4.8186	4.1025	4.4980	3.6837	2.4597	2.8400	2.4597	3.5655	3.5655	4.5953	5.4664	6.1156	5.7691	4.8186	4.1025
C34	6.6380	6.9412	6.6380	6.1156	6.1156	5.3849	4.4980	4.4980	5.3849	5.1860	5.7691	6.4844	6.6380	6.9290	7.0791	6.9290	6.6790	6.6790	6.1156	5.7691	6.0451	5.4664	4.4980	3.6837	4.1025	3.5655	2.3460	2.3460	3.5655	4.1025	3.6837	2.4597	1.4499		1.4499	2.4597	2.8400	4.1025	4.8186	4.5953	5.4664	5.4664	6.1156	5.7691	4.8186	4.5953	3.5655	3.5655	2.4597	1.3901	2.4597	2.8400	4.1025	4.4980	5.4664	6.0451	6.6380	6.4844	5.7691	5.1860
C35	6.4844	6.6380	6.0451	5.4664	5.7691	5.1860	4.1025	3.6837	4.4980	4.1025	4.8186	5.7691	6.1156	6.6790	6.9290	7.0791	6.9290	6.6790	6.1156	5.4664	5.4664	4.5953	3.5655	2.4597	2.8400	2.4597	1.4499	2.3460	3.5655	4.4980	4.4980	3.5655	2.3460	1.4499		1.3901	2.4597	3.5655	4.5953	4.8186	5.7691	6.0451	6.6380	6.4844	5.7691	5.4664	4.4980	4.1025	2.8400	2.4597	3.6837	4.1025	5.1860	5.3849	6.1156	6.6380	6.9412	6.6380	6.1156	5.3849
C36	6.6380	6.4844	5.7691	5.4664	6.0451	5.7691	4.8186	4.1025	4.4980	3.6837	4.1025	5.1860	5.3849	6.1156	6.6380	6.9412	6.6380	6.1156	5.3849	4.4980	4.4980	3.5655	2.3460	1.4499	2.4597	2.8400	2.4597	3.5655	4.5953	5.4664	5.4664	4.5953	3.5655	2.4597	1.3901		1.4499	2.3460	3.5655	4.1025	5.1860	5.7691	6.4844	6.6380	6.0451	5.4664	4.4980	3.6837	2.4597	2.8400	4.1025	4.8186	5.7691	6.1156	6.6790	6.9290	7.0791	6.9290	6.6790	6.1156
C37	6.9412	6.6380	6.1156	6.1156	6.6380	6.4844	5.7691	5.1860	5.3849	4.4980	4.4980	5.3849	5.1860	5.7691	6.4844	6.6380	6.0451	5.4664	4.4980	3.6837	4.1025	3.5655	2.3460	2.3460	3.5655	4.1025	3.6837	4.4980	5.4664	6.0451	5.7691	4.8186	4.1025	2.8400	2.4597	1.4499		1.4499	2.4597	2.8400	4.1025	4.8186	5.7691	6.1156	5.4664	4.5953	3.5655	2.4597	1.3901	2.4597	3.5655	4.5953	5.4664	6.1156	6.6790	6.6790	6.9290	7.0791	6.9290	6.6380
C38	6.6380	6.0451	5.4664	5.7691	6.4844	6.6380	6.1156	5.3849	5.1860	4.1025	3.6837	4.4980	4.1025	4.8186	5.7691	6.1156	5.4664	4.5953	3.5655	2.4597	2.8400	2.4597	1.4499	2.3460	3.5655	4.4980	4.4980	5.3849	6.1156	6.6380	6.4844	5.7691	5.1860	4.1025	3.5655	2.3460	1.4499		1.3901	2.4597	3.5655	4.5953	5.4664	6.1156	5.7691	4.8186	4.1025	2.8400	2.4597	3.6837	4.4980	5.4664	6.0451	6.6380	6.9290	6.6790	6.6790	6.9290	7.0791	6.9412
C39	6.4844	5.7691	5.4664	6.0451	6.6380	6.9290	6.6790	6.1156	5.7691	4.8186	4.1025	4.4980	3.6837	4.1025	5.1860	5.3849	4.4980	3.5655	2.3460	1.4499	2.4597	2.8400	2.4597	3.5655	4.5953	5.4664	5.4664	6.1156	6.6790	6.9290	6.6380	6.0451	5.7691	4.8186	4.5953	3.5655	2.4597	1.3901		1.4499	2.3460	3.5655	4.4980	5.3849	5.1860	4.1025	3.6837	2.4597	2.8400	4.1025	4.4980	5.4664	5.7691	6.4844	6.6380	6.1156	6.1156	6.6380	6.9412	7.0791
C40	6.6380	6.1156	6.1156	6.6380	6.9412	7.0791	6.9290	6.6380	6.4844	5.7691	5.1860	5.3849	4.4980	4.4980	5.3849	5.1860	4.1025	3.5655	2.3460	2.3460	3.5655	4.1025	3.6837	4.4980	5.4664	6.0451	5.7691	6.1156	6.6790	6.6790	6.1156	5.4664	5.4664	4.5953	4.8186	4.1025	2.8400	2.4597	1.4499		1.4499	2.4597	3.6837	4.4980	4.1025	2.8400	2.4597	1.3901	2.4597	3.5655	3.5655	4.5953	4.8186	5.7691	6.0451	5.4664	5.7691	6.4844	6.6380	6.9290
C41	6.0451	5.4664	5.7691	6.4844	6.6380	6.9290	7.0791	6.9412	6.6380	6.1156	5.3849	5.1860	4.1025	3.6837	4.4980	4.1025	2.8400	2.4597	1.4499	2.3460	3.5655	4.4980	4.4980	5.3849	6.1156	6.6380	6.4844	6.6380	6.9290	6.6790	6.1156	5.7691	6.0451	5.4664	5.7691	5.1860	4.1025	3.5655	2.3460	1.4499		1.3901	2.4597	3.5655	3.5655	2.4597	2.8400	2.4597	3.6837	4.4980	4.1025	4.8186	4.5953	5.4664	5.4664	4.5953	4.8186	5.7691	6.1156	6.6790
C42	5.7691	5.4664	6.0451	6.6380	6.4844	6.6380	6.9412	7.0791	6.9290	6.6790	6.1156	5.7691	4.8186	4.1025	4.4980	3.6837	2.4597	2.8400	2.4597	3.5655	4.5953	5.4664	5.4664	6.1156	6.6790	6.9290	6.6380	6.4844	6.6380	6.1156	5.3849	5.1860	5.7691	5.4664	6.0451	5.7691	4.8186	4.5953	3.5655	2.4597	1.3901		1.4499	2.3460	2.3460	1.4499	2.4597	2.8400	4.1025	4.4980	3.6837	4.1025	3.5655	4.4980	4.4980	3.5655	4.1025	5.1860	5.3849	6.1156
C43	4.8186	4.5953	5.4664	6.1156	5.7691	6.0451	6.6380	6.9290	6.6790	6.6790	6.1156	5.4664	4.5953	3.5655	3.5655	2.4597	1.3901	2.4597	2.8400	4.1025	4.8186	5.7691	6.0451	6.6380	6.9290	7.0791	6.9412	6.6380	6.4844	5.7691	5.1860	5.3849	6.1156	6.1156	6.6380	6.4844	5.7691	5.4664	4.4980	3.6837	2.4597	1.4499		1.4499	2.3460	2.3460	3.5655	4.1025	5.1860	5.3849	4.4980	4.4980	3.5655	4.1025	3.6837	2.4597	2.8400	4.1025	4.4980	5.4664
C44	4.5953	4.8186	5.7691	6.1156	5.4664	5.4664	6.1156	6.6790	6.6790	6.9290	6.6380	6.0451	5.4664	4.4980	4.1025	2.8400	2.4597	3.6837	4.1025	5.1860	5.7691	6.4844	6.6380	6.9412	7.0791	6.9290	6.6380	6.0451	5.7691	4.8186	4.1025	4.4980	5.4664	5.7691	6.4844	6.6380	6.1156	6.1156	5.3849	4.4980	3.5655	2.3460	1.4499		1.4499	2.3460	3.5655	4.4980	5.3849	5.1860	4.1025	3.6837	2.4597	2.8400	2.4597	1.3901	2.4597	3.5655	3.5655	4.5953
C45	5.4664	5.7691	6.4844	6.6380	6.0451	5.7691	6.1156	6.6790	6.9290	7.0791	6.9412	6.6380	6.1156	5.3849	5.1860	4.1025	3.5655	4.4980	4.4980	5.3849	6.1156	6.6380	6.4844	6.6380	6.9290	6.6790	6.1156	5.4664	5.4664	4.5953	3.5655	3.5655	4.5953	4.8186	5.7691	6.0451	5.4664	5.7691	5.1860	4.1025	3.5655	2.3460	2.3460	1.4499		1.4499	2.4597	3.6837	4.4980	4.1025	2.8400	2.4597	1.3901	2.4597	2.8400	2.4597	3.6837	4.4980	4.1025	4.8186
C46	6.1156	6.1156	6.6380	6.9412	6.6380	6.4844	6.6380	6.9290	7.0791	6.9290	6.6380	6.4844	5.7691	5.1860	5.3849	4.4980	3.5655	4.1025	3.6837	4.4980	5.4664	6.0451	5.7691	6.1156	6.6790	6.6790	6.1156	5.7691	6.0451	5.4664	4.4980	4.1025	4.8186	4.5953	5.4664	5.4664	4.5953	4.8186	4.1025	2.8400	2.4597	1.4499	2.3460	2.3460	1.4499		1.3901	2.4597	3.5655	3.5655	2.4597	2.8400	2.4597	3.6837	4.1025	3.5655	4.4980	5.3849	5.1860	5.7691
C47	6.6790	6.6790	6.9290	7.0791	6.9290	6.6380	6.4844	6.6380	6.9412	6.6380	6.4844	6.6380	6.0451	5.7691	6.1156	5.4664	4.5953	4.8186	4.1025	4.4980	5.4664	5.7691	5.1860	5.3849	6.1156	6.1156	5.3849	5.1860	5.7691	5.4664	4.4980	3.6837	4.1025	3.5655	4.4980	4.4980	3.5655	4.1025	3.6837	2.4597	2.8400	2.4597	3.5655	3.5655	2.4597	1.3901		1.4499	2.3460	2.3460	1.4499	2.4597	2.8400	4.1025	4.8186	4.5953	5.4664	6.1156	5.7691	6.0451
C48	6.9290	6.6790	6.6790	6.9290	7.0791	6.9412	6.6380	6.4844	6.6380	6.0451	5.7691	6.1156	5.4664	5.4664	6.1156	5.7691	4.8186	4.5953	3.5655	3.5655	4.5953	4.8186	4.1025	4.4980	5.4664	5.7691	5.1860	5.3849	6.1156	6.1156	5.3849	4.4980	4.4980	3.5655	4.1025	3.6837	2.4597	2.8400	2.4597	1.3901	2.4597	2.8400	4.1025	4.4980	3.6837	2.4597	1.4499		1.4499	2.3460	2.3460	3.5655	4.1025	5.1860	5.7691	5.4664	6.0451	6.6380	6.4844	6.6380
C49	7.0791	6.9290	6.6790	6.6790	6.9290	6.6380	6.0451	5.7691	6.1156	5.4664	5.4664	6.1156	5.7691	6.0451	6.6380	6.4844	5.7691	5.4664	4.4980	4.1025	4.8186	4.5953	3.5655	3.5655	4.5953	4.8186	4.1025	4.4980	5.4664	5.7691	5.1860	4.1025	3.6837	2.4597	2.8400	2.4597	1.3901	2.4597	2.8400	2.4597	3.6837	4.1025	5.1860	5.3849	4.4980	3.5655	2.3460	1.4499		1.4499	2.3460	3.5655	4.4980	5.3849	6.1156	6.1156	6.6380	6.9412	6.6380	6.4844
C50	6.9290	7.0791	6.9290	6.6790	6.6790	6.1156	5.4664	5.4664	6.1156	5.7691	6.0451	6.6380	6.4844	6.6380	6.9412	6.6380	6.1156	6.1156	5.3849	5.1860	5.7691	5.4664	4.4980	4.1025	4.8186	4.5953	3.5655	3.5655	4.5953	4.8186	4.1025	2.8400	2.4597	1.3901	2.4597	2.8400	2.4597	3.6837	4.1025	3.5655	4.4980	4.4980	5.3849	5.1860	4.1025	3.5655	2.3460	2.3460	1.4499		1.4499	2.4597	3.6837	4.4980	5.4664	5.7691	6.4844	6.6380	6.0451	5.7691
C51	6.6790	6.9290	7.0791	6.9290	6.6790	6.1156	5.7691	6.0451	6.6380	6.4844	6.6380	6.9412	6.6380	6.4844	6.6380	6.0451	5.4664	5.7691	5.1860	5.3849	6.1156	6.1156	5.3849	5.1860	5.7691	5.4664	4.4980	4.1025	4.8186	4.5953	3.5655	2.4597	2.8400	2.4597	3.6837	4.1025	3.5655	4.4980	4.4980	3.5655	4.1025	3.6837	4.4980	4.1025	2.8400	2.4597	1.4499	2.3460	2.3460	1.4499		1.3901	2.4597	3.5655	4.5953	4.8186	5.7691	6.1156	5.4664	5.4664
C52	6.1156	6.6380	6.9412	6.6380	6.1156	5.3849	5.1860	5.7691	6.4844	6.6380	6.9290	7.0791	6.9290	6.6380	6.4844	5.7691	5.4664	6.0451	5.7691	6.1156	6.6790	6.6790	6.1156	5.7691	6.0451	5.4664	4.4980	3.6837	4.1025	3.5655	2.3460	1.4499	2.4597	2.8400	4.1025	4.8186	4.5953	5.4664	5.4664	4.5953	4.8186	4.1025	4.4980	3.6837	2.4597	2.8400	2.4597	3.5655	3.5655	2.4597	1.3901		1.4499	2.3460	3.5655	4.1025	5.1860	5.3849	4.4980	4.4980
C53	5.4664	6.0451	6.6380	6.4844	5.7691	5.1860	5.3849	6.1156	6.6380	6.9412	7.0791	6.9290	6.6790	6.1156	5.7691	4.8186	4.5953	5.4664	5.4664	6.1156	6.6790	6.9290	6.6380	6.4844	6.6380	6.1156	5.3849	4.4980	4.4980	3.5655	2.3460	2.3460	3.5655	4.1025	5.1860	5.7691	5.4664	6.0451	5.7691	4.8186	4.5953	3.5655	3.5655	2.4597	1.3901	2.4597	2.8400	4.1025	4.4980	3.6837	2.4597	1.4499		1.4499	2.4597	2.8400	4.1025	4.4980	3.6837	4.1025
C54	4.5953	5.4664	6.1156	5.7691	4.8186	4.1025	4.4980	5.4664	6.0451	6.6380	6.9290	6.6790	6.6790	6.1156	5.4664	4.5953	4.8186	5.7691	6.0451	6.6380	6.9290	7.0791	6.9412	6.6380	6.4844	5.7691	5.1860	4.1025	3.6837	2.4597	1.4499	2.3460	3.5655	4.4980	5.3849	6.1156	6.1156	6.6380	6.4844	5.7691	5.4664	4.4980	4.1025	2.8400	2.4597	3.6837	4.1025	5.1860	5.3849	4.4980	3.5655	2.3460	1.4499		1.3901	2.4597	3.5655	3.5655	2.4597	2.8400
C55	3.5655	4.4980	5.3849	5.1860	4.1025	3.6837	4.4980	5.4664	5.7691	6.4844	6.6380	6.1156	6.1156	5.3849	4.4980	3.5655	4.1025	5.1860	5.7691	6.4844	6.6380	6.9412	7.0791	6.9290	6.6380	6.0451	5.7691	4.8186	4.1025	2.8400	2.4597	3.5655	4.5953	5.4664	6.1156	6.6790	6.6790	6.9290	6.6380	6.0451	5.4664	4.4980	3.6837	2.4597	2.8400	4.1025	4.8186	5.7691	6.1156	5.4664	4.5953	3.5655	2.4597	1.3901		1.4499	2.3460	2.3460	1.4499	2.4597
C56	3.5655	4.1025	5.1860	5.3849	4.4980	4.4980	5.3849	6.1156	6.1156	6.6380	6.4844	5.7691	5.4664	4.4980	3.6837	2.4597	2.8400	4.1025	4.8186	5.7691	6.0451	6.6380	6.9290	7.0791	6.9412	6.6380	6.4844	5.7691	5.1860	4.1025	3.6837	4.4980	5.4664	6.0451	6.6380	6.9290	6.6790	6.6790	6.1156	5.4664	4.5953	3.5655	2.4597	1.3901	2.4597	3.5655	4.5953	5.4664	6.1156	5.7691	4.8186	4.1025	2.8400	2.4597	1.4499		1.4499	2.3460	2.3460	3.5655
C57	2.4597	2.8400	4.1025	4.4980	3.6837	4.1025	5.1860	5.7691	5.4664	6.0451	5.7691	4.8186	4.5953	3.5655	2.4597	1.3901	2.4597	3.5655	4.5953	5.4664	5.4664	6.1156	6.6790	6.9290	6.6380	6.4844	6.6380	6.1156	5.3849	4.4980	4.4980	5.3849	6.1156	6.6380	6.9412	7.0791	6.9290	6.6790	6.1156	5.7691	4.8186	4.1025	2.8400	2.4597	3.6837	4.4980	5.4664	6.0451	6.6380	6.4844	5.7691	5.1860	4.1025	3.5655	2.3460	1.4499		1.4499	2.3460	3.5655
C58	1.3901	2.4597	3.5655	3.5655	2.4597	2.8400	4.1025	4.8186	4.5953	5.4664	5.4664	4.5953	4.8186	4.1025	2.8400	2.4597	3.6837	4.4980	5.4664	6.0451	5.7691	6.1156	6.6790	6.6790	6.1156	5.7691	6.0451	5.4664	4.4980	3.6837	4.1025	5.1860	5.7691	6.4844	6.6380	6.9290	7.0791	6.9290	6.6380	6.4844	5.7691	5.1860	4.1025	3.5655	4.4980	5.3849	6.1156	6.6380	6.9412	6.6380	6.1156	5.3849	4.4980	3.5655	2.3460	2.3460	1.4499		1.4499	2.4597
C59	2.4597	3.6837	4.4980	4.1025	2.8400	2.4597	3.5655	4.5953	4.8186	5.7691	6.0451	5.4664	5.7691	5.1860	4.1025	3.5655	4.4980	5.3849	6.1156	6.6380	6.4844	6.6380	6.9290	6.6790	6.1156	5.4664	5.4664	4.5953	3.5655	2.4597	2.8400	4.1025	4.8186	5.7691	6.1156	6.6790	6.9290	7.0791	6.9412	6.6380	6.1156	5.3849	4.4980	3.5655	4.1025	5.1860	5.7691	6.4844	6.6380	6.0451	5.4664	4.4980	3.6837	2.4597	1.4499	2.3460	2.3460	1.4499		1.3901
C60	2.8400	4.1025	4.4980	3.6837	2.4597	1.4499	2.3460	3.5655	4.1025	5.1860	5.7691	5.4664	6.0451	5.7691	4.8186	4.5953	5.4664	6.1156	6.6790	6.9290	6.6380	6.4844	6.6380	6.1156	5.3849	4.4980	4.4980	3.5655	2.3460	1.4499	2.4597	3.6837	4.1025	5.1860	5.3849	6.1156	6.6380	6.9412	7.0791	6.9290	6.6790	6.1156	5.4664	4.5953	4.8186	5.7691	6.0451	6.6380	6.4844	5.7691	5.4664	4.4980	4.1025	2.8400	2.4597	3.5655	3.5655	2.4597	1.3901

More geometry information
Calculated Bond Angles

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

Electronic energy levels

Charges, Dipole, Quadrupole and Polarizability
Charges from optimized geometry at B1B95/6-31G Charges (e)

Number	Element	Mulliken	CHELPG	AIM	ESP
1	C	0.000
2	C	0.000
3	C	0.000
4	C	0.000
5	C	0.000
6	C	0.000
7	C	0.000
8	C	0.000
9	C	0.000
10	C	0.000
11	C	0.000
12	C	0.000
13	C	0.000
14	C	0.000
15	C	0.000
16	C	0.000
17	C	0.000
18	C	0.000
19	C	0.000
20	C	0.000
21	C	0.000
22	C	0.000
23	C	0.000
24	C	0.000
25	C	0.000
26	C	0.000
27	C	0.000
28	C	0.000
29	C	0.000
30	C	0.000
31	C	0.000
32	C	0.000
33	C	0.000
34	C	0.000
35	C	0.000
36	C	0.000
37	C	0.000
38	C	0.000
39	C	0.000
40	C	0.000
41	C	0.000
42	C	0.000
43	C	0.000
44	C	0.000
45	C	0.000
46	C	0.000
47	C	0.000
48	C	0.000
49	C	0.000
50	C	0.000
51	C	0.000
52	C	0.000
53	C	0.000
54	C	0.000
55	C	0.000
56	C	0.000
57	C	0.000
58	C	0.000
59	C	0.000
60	C	0.000

Electric dipole moments
Electric dipole components in Debye
(What's a Debye? See section VII.A.3)

	x	y	z	Total
	0.000	0.000	0.000	0.000
CHELPG
AIM
ESP

Electric Quadrupole moment
Quadrupole components in D Å

Primitive   x y z x -331.680 0.000 0.000 y 0.000 -331.680 0.000 z 0.000 0.000 -331.680

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	67.229	0.000	0.000
y	0.000	67.230	0.000
z	0.000	0.000	67.229

<r²> (average value of r²) Ų

<r2>	4717.343
(<r2>)1/2	68.683