All results from a given calculation for C₆₀ (Buckminsterfullerene)

Energy calculated at B3LYP/3-21G

	hartrees
Energy at 0K	-2273.522428
Energy at 298.15K	-2273.520621
HF Energy	-2273.522428
Nuclear repulsion energy	8314.789391

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 B3LYP/3-21G

Mode Number	Symmetry	Frequency (cm-1)	Scaled Frequency (cm-1)	IR Intensities (km mol-1)	Raman Act (Å4/u)	Dep P	Dep U
1	Ag	1500	1448	0.00
2	Ag	491	474	0.00
3	Au	1014	978	0.00
4	T1g	1280	1235	0.00
4	T1g	1280	1235	0.00
4	T1g	1280	1235	0.00
5	T1g	866	836	0.00
5	T1g	866	836	0.00
5	T1g	866	836	0.00
6	T1g	550	531	0.00
6	T1g	550	531	0.00
6	T1g	550	531	0.00
7	T1u	1454	1403	14.20
7	T1u	1454	1403	14.19
7	T1u	1454	1403	14.20
8	T1u	1178	1137	9.10
8	T1u	1178	1137	9.10
8	T1u	1178	1137	9.10
9	T1u	583	562	6.63
9	T1u	583	562	6.63
9	T1u	583	562	6.63
10	T1u	515	497	28.15
10	T1u	515	497	28.15
10	T1u	515	497	28.15
11	T2g	1333	1287	0.00
11	T2g	1333	1287	0.00
11	T2g	1333	1287	0.00
12	T2g	841	811	0.00
12	T2g	841	811	0.00
12	T2g	841	811	0.00
13	T2g	655	632	0.00
13	T2g	655	632	0.00
13	T2g	655	632	0.00
14	T2g	586	566	0.00
14	T2g	586	566	0.00
14	T2g	586	566	0.00
15	T2u	1567	1512	0.00
15	T2u	1567	1512	0.00
15	T2u	1567	1512	0.00
16	T2u	1165	1124	0.00
16	T2u	1165	1124	0.00
16	T2u	1165	1124	0.00
17	T2u	967	933	0.00
17	T2u	967	933	0.00
17	T2u	967	933	0.00
18	T2u	681	657	0.00
18	T2u	681	657	0.00
81	T2u	681	657	0.00
19	T2u	350	338	0.00
19	T2u	350	338	0.00
19	T2u	350	338	0.00
20	Gg	1523	1470	0.00
20	Gg	1523	1470	0.00
20	Gg	1523	1470	0.00
20	Gg	1523	1470	0.00
21	Gg	1325	1279	0.00
21	Gg	1325	1279	0.00
21	Gg	1325	1279	0.00
21	Gg	1325	1279	0.00
22	Gg	1065	1027	0.00
22	Gg	1065	1027	0.00
22	Gg	1065	1027	0.00
22	Gg	1065	1027	0.00
23	Gg	695	671	0.00
23	Gg	695	671	0.00
23	Gg	695	671	0.00
23	Gg	695	671	0.00
24	Gg	599	578	0.00
24	Gg	599	578	0.00
24	Gg	599	578	0.00
24	Gg	599	578	0.00
25	Gg	486	469	0.00
25	Gg	486	469	0.00
25	Gg	486	469	0.00
25	Gg	486	469	0.00
26	Gu	1435	1385	0.00
26	Gu	1435	1385	0.00
26	Gu	1435	1385	0.00
26	Gu	1435	1385	0.00
27	Gu	1305	1259	0.00
27	Gu	1305	1259	0.00
27	Gu	1305	1259	0.00
27	Gu	1305	1259	0.00
28	Gu	974	940	0.00
28	Gu	974	940	0.00
28	Gu	974	940	0.00
28	Gu	974	940	0.00
29	Gu	796	768	0.00
29	Gu	796	768	0.00
29	Gu	796	768	0.00
29	Gu	796	768	0.00
30	Gu	671	648	0.00
30	Gu	671	648	0.00
30	Gu	671	648	0.00
30	Gu	671	648	0.00
31	Gu	359	346	0.00
31	Gu	359	346	0.00
31	Gu	359	346	0.00
31	Gu	359	346	0.00
32	Hg	1608	1552	0.00
32	Hg	1608	1552	0.00
32	Hg	1608	1552	0.00
32	Hg	1608	1552	0.00
32	Hg	1608	1552	0.00
33	Hg	1436	1386	0.00
33	Hg	1436	1386	0.00
33	Hg	1436	1386	0.00
33	Hg	1436	1386	0.00
33	Hg	1436	1386	0.00
34	Hg	1234	1190	0.00
34	Hg	1234	1190	0.00
34	Hg	1234	1190	0.00
34	Hg	1234	1190	0.00
34	Hg	1234	1190	0.00
35	Hg	1115	1075	0.00
35	Hg	1115	1075	0.00
35	Hg	1115	1075	0.00
35	Hg	1115	1075	0.00
35	Hg	1115	1075	0.00
36	Hg	783	755	0.00
36	Hg	783	755	0.00
36	Hg	783	755	0.00
36	Hg	783	755	0.00
36	Hg	783	755	0.00
37	Hg	680	657	0.00
37	Hg	680	657	0.00
37	Hg	680	657	0.00
37	Hg	680	657	0.00
37	Hg	680	657	0.00
38	Hg	433	418	0.00
38	Hg	433	418	0.00
38	Hg	433	418	0.00
38	Hg	433	418	0.00
38	Hg	433	418	0.00
39	Hg	272	262	0.00
39	Hg	272	262	0.00
39	Hg	272	262	0.00
39	Hg	272	262	0.00
39	Hg	272	262	0.00
40	Hu	1595	1539	0.00
40	Hu	1595	1539	0.00
40	Hu	1595	1539	0.00
40	Hu	1595	1539	0.00
40	Hu	1595	1539	0.00
41	Hu	1343	1296	0.00
41	Hu	1343	1296	0.00
41	Hu	1343	1296	0.00
41	Hu	1343	1296	0.00
41	Hu	1343	1296	0.00
42	Hu	1222	1179	0.00
42	Hu	1222	1179	0.00
42	Hu	1222	1179	0.00
42	Hu	1222	1179	0.00
42	Hu	1222	1179	0.00
43	Hu	721	696	0.00
43	Hu	721	696	0.00
43	Hu	721	696	0.00
43	Hu	721	696	0.00
43	Hu	721	696	0.00
44	Hu	676	653	0.00
44	Hu	676	653	0.00
44	Hu	676	653	0.00
44	Hu	676	653	0.00
44	Hu	676	653	0.00
45	Hu	535	516	0.00
45	Hu	535	516	0.00
45	Hu	535	516	0.00
45	Hu	535	516	0.00
45	Hu	535	516	0.00
46	Hu	420	405	0.00
46	Hu	420	405	0.00
46	Hu	420	405	0.00
46	Hu	420	405	0.00
46	Hu	420	405	0.00

Unscaled Zero Point Vibrational Energy (zpe) 81003.0 cm^-1
Scaled (by 0.9649) Zero Point Vibrational Energy (zpe) 78159.8 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 B3LYP/3-21G

A	B	C
0.00278	0.00278	0.00278

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

Geometric Data calculated at B3LYP/3-21G

Point Group is I_h

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.241	3.331
C2	-1.181	0.384	3.331
C3	-0.730	-1.004	3.331
C4	0.730	-1.004	3.331
C5	1.181	0.384	3.331
C6	2.306	0.749	2.600
C7	3.035	-0.255	1.833
C8	2.606	-1.578	1.833
C9	1.425	-1.961	2.600
C10	0.695	-2.966	1.833
C11	-0.695	-2.966	1.833
C12	-1.425	-1.961	2.600
C13	-2.606	-1.578	1.833
C14	-3.035	-0.255	1.833
C15	-2.306	0.749	2.600
C16	-2.306	1.991	1.833
C17	-3.035	1.754	0.591
C18	-3.486	0.366	0.591
C19	-3.486	-0.366	-0.591
C20	-3.035	-1.754	-0.591
C21	-2.606	-2.345	0.591
C22	-1.425	-3.203	0.591
C23	-0.730	-3.429	-0.591
C24	0.730	-3.429	-0.591
C25	1.425	-3.203	0.591
C26	2.606	-2.345	0.591
C27	3.035	-1.754	-0.591
C28	3.486	-0.366	-0.591
C29	3.486	0.366	0.591
C30	3.035	1.754	0.591
C31	2.606	2.345	-0.591
C32	2.606	1.578	-1.833
C33	3.035	0.255	-1.833
C34	2.306	-0.749	-2.600
C35	2.306	-1.991	-1.833
C36	1.181	-2.808	-1.833
C37	0.000	-2.424	-2.600
C38	-1.181	-2.808	-1.833
C39	-2.306	-1.991	-1.833
C40	-2.306	-0.749	-2.600
C41	-3.035	0.255	-1.833
C42	-2.606	1.578	-1.833
C43	-2.606	2.345	-0.591
C44	-1.425	3.203	-0.591
C45	-0.695	2.966	-1.833
C46	-1.425	1.961	-2.600
C47	-0.730	1.004	-3.331
C48	-1.181	-0.384	-3.331
C49	0.000	-1.241	-3.331
C50	1.181	-0.384	-3.331
C51	0.730	1.004	-3.331
C52	1.425	1.961	-2.600
C53	0.695	2.966	-1.833
C54	1.425	3.203	-0.591
C55	0.730	3.429	0.591
C56	-0.730	3.429	0.591
C57	-1.181	2.808	1.833
C58	0.000	2.424	2.600
C59	1.181	2.808	1.833
C60	2.306	1.991	1.833

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		1.4594	2.3614	2.3614	1.4594	2.4684	3.7012	4.1210	3.5809	4.5198	4.5198	3.5809	4.1210	3.7012	2.4684	2.8500	4.1210	4.5198	5.4886	5.7940	5.2114	5.4119	6.1425	6.1425	5.4119	5.2114	5.7940	5.4886	4.5198	4.1210	4.8368	5.7940	6.0708	6.6678	6.5139	6.6678	6.9728	6.6678	6.5139	6.6678	6.0708	5.7940	4.8368	4.6113	5.4886	6.1425	6.7065	6.9587	7.1101	6.9587	6.7065	6.1425	5.4886	4.6113	3.5809	3.5809	2.4684	1.3905	2.4684	2.8500
C2	1.4594		1.4594	2.3614	2.3614	3.5809	4.5198	4.5198	3.5809	4.1210	3.7012	2.4684	2.8500	2.4684	1.3905	2.4684	3.5809	3.5809	4.6113	4.8368	4.1210	4.5198	5.4886	5.7940	5.2114	5.4119	6.1425	6.1425	5.4119	5.2114	5.7940	6.5139	6.6678	6.9728	6.6678	6.5139	6.6678	6.0708	5.7940	6.1425	5.4886	5.4886	4.6113	4.8368	5.7940	6.1425	6.7065	6.7065	6.9587	7.1101	6.9587	6.6678	6.0708	5.4886	4.5198	4.1210	2.8500	2.4684	3.7012	4.1210
C3	2.3614	1.4594		1.4594	2.3614	3.5809	4.1210	3.7012	2.4684	2.8500	2.4684	1.3905	2.4684	2.8500	2.4684	3.7012	4.5198	4.1210	4.8368	4.6113	3.5809	3.5809	4.6113	4.8368	4.1209	4.5198	5.4886	5.7940	5.2114	5.4119	6.1425	6.6678	6.5139	6.6678	6.0708	5.7940	6.1425	5.4886	5.4886	6.1425	5.7940	6.0708	5.4886	5.7940	6.5139	6.6678	6.9587	6.7065	6.7065	6.9587	7.1101	6.9728	6.6678	6.1425	5.4119	5.2114	4.1210	3.5809	4.5198	4.5198
C4	2.3614	2.3614	1.4594		1.4594	2.4684	2.8500	2.4684	1.3905	2.4684	2.8500	2.4684	3.7012	4.1210	3.5809	4.5198	5.4119	5.2114	5.7940	5.4886	4.5198	4.1209	4.8368	4.6113	3.5809	3.5809	4.6113	4.8368	4.1210	4.5198	5.4886	6.0708	5.7940	6.1425	5.4886	5.4886	6.1425	5.7940	6.0708	6.6678	6.5139	6.6678	6.1425	6.1425	6.6678	6.9728	7.1101	6.9587	6.7065	6.7065	6.9587	6.6678	6.5139	5.7940	5.2114	5.4119	4.5198	3.5809	4.1210	3.7012
C5	1.4594	2.3614	2.3614	1.4594		1.3905	2.4684	2.8500	2.4684	3.7012	4.1210	3.5809	4.5198	4.5198	3.5809	4.1210	5.2114	5.4119	6.1425	6.1425	5.4119	5.2114	5.7940	5.4886	4.5198	4.1210	4.8368	4.6113	3.5809	3.5809	4.6113	5.4886	5.4886	6.1425	5.7940	6.0708	6.6678	6.5139	6.6678	6.9728	6.6678	6.5139	5.7940	5.4886	6.0708	6.6678	6.9587	7.1101	6.9587	6.7065	6.7065	6.1425	5.7940	4.8368	4.1210	4.5198	3.7012	2.4684	2.8500	2.4684
C6	2.4684	3.5809	3.5809	2.4684	1.3905		1.4594	2.4684	2.8500	4.1210	4.8368	4.6113	5.4886	5.4886	4.6113	4.8368	5.7940	6.1425	6.7065	6.7065	6.1425	5.7940	6.0708	5.4886	4.5198	3.7012	4.1209	3.5809	2.3614	2.3614	3.5809	4.5198	4.5198	5.4119	5.2114	5.7940	6.5139	6.6678	6.9587	7.1101	6.9587	6.6678	6.0708	5.4886	5.7940	6.5139	6.6678	6.9728	6.6678	6.1425	6.1425	5.4119	5.2114	4.1209	3.7012	4.5198	4.1210	2.8500	2.4684	1.4594
C7	3.7012	4.5198	4.1210	2.8500	2.4684	1.4594		1.3905	2.4684	3.5809	4.6113	4.8368	5.7940	6.0708	5.4886	5.7940	6.5139	6.6678	6.9587	6.7065	6.1425	5.4886	5.4886	4.6113	3.5809	2.4684	2.8500	2.4684	1.4594	2.3614	3.5809	4.1210	3.7012	4.5198	4.1210	4.8368	5.7940	6.1425	6.7065	6.9587	7.1101	6.9728	6.6678	6.1425	6.1425	6.6678	6.5139	6.6678	6.0708	5.4886	5.7940	5.2114	5.4119	4.5198	4.5198	5.4119	5.2114	4.1210	3.5809	2.3614
C8	4.1210	4.5198	3.7012	2.4684	2.8500	2.4684	1.3905		1.4594	2.3614	3.5809	4.1210	5.2114	5.7940	5.4886	6.0708	6.6678	6.5139	6.6678	6.1425	5.4119	4.5198	4.5198	3.5809	2.3614	1.4594	2.4684	2.8500	2.4684	3.5809	4.6113	4.8368	4.1210	4.5198	3.7012	4.1210	5.2114	5.4119	6.1425	6.6678	6.9728	7.1101	6.9587	6.7065	6.7065	6.9587	6.6678	6.5139	5.7940	5.4886	6.0708	5.7940	6.1425	5.4886	5.4886	6.1425	5.7940	4.8368	4.6113	3.5809
C9	3.5809	3.5809	2.4684	1.3905	2.4684	2.8500	2.4684	1.4594		1.4594	2.4684	2.8500	4.1210	4.8368	4.6113	5.4886	6.1425	5.7940	6.0708	5.4886	4.5198	3.7012	4.1210	3.5809	2.3614	2.3614	3.5809	4.1209	3.7012	4.5198	5.4886	5.7940	5.2114	5.4119	4.5198	4.5198	5.4119	5.2114	5.7940	6.5139	6.6678	6.9587	6.7065	6.7065	6.9587	7.1101	6.9728	6.6678	6.1425	6.1425	6.6678	6.5139	6.6678	6.0708	5.7940	6.1425	5.4886	4.6113	4.8368	4.1210
C10	4.5198	4.1210	2.8500	2.4684	3.7012	4.1210	3.5809	2.3614	1.4594		1.3905	2.4684	3.5809	4.6113	4.8368	5.7940	6.1425	5.4886	5.4886	4.6113	3.5809	2.4684	2.8500	2.4684	1.4594	2.3614	3.5809	4.5198	4.5198	5.4119	6.1425	6.1425	5.4119	5.2114	4.1210	3.7012	4.5198	4.1210	4.8368	5.7940	6.1425	6.7065	6.7065	6.9587	7.1101	6.9587	6.6678	6.0708	5.4886	5.7940	6.5139	6.6678	6.9728	6.6678	6.5139	6.6678	6.0708	5.4886	5.7940	5.2114
C11	4.5198	3.7012	2.4684	2.8500	4.1210	4.8368	4.6113	3.5809	2.4684	1.3905		1.4594	2.3614	3.5809	4.1210	5.2114	5.4119	4.5198	4.5198	3.5809	2.3614	1.4594	2.4684	2.8500	2.4684	3.5809	4.6113	5.4886	5.4886	6.1425	6.7065	6.7065	6.1425	5.7940	4.8368	4.1210	4.5198	3.7012	4.1210	5.2114	5.4119	6.1425	6.1425	6.6678	6.9728	6.6678	6.5139	5.7940	5.4886	6.0708	6.6678	6.9587	7.1101	6.9587	6.6678	6.5139	5.7940	5.4886	6.0708	5.7940
C12	3.5809	2.4684	1.3905	2.4684	3.5809	4.6113	4.8368	4.1210	2.8500	2.4684	1.4594		1.4594	2.4684	2.8500	4.1210	4.5198	3.7012	4.1209	3.5809	2.3614	2.3614	3.5809	4.1210	3.7012	4.5198	5.4886	6.0708	5.7940	6.1425	6.7065	6.9587	6.6678	6.5139	5.7940	5.2114	5.4119	4.5198	4.5198	5.4119	5.2114	5.7940	5.4886	6.0708	6.6678	6.5139	6.6678	6.1425	6.1425	6.6678	6.9728	7.1101	6.9587	6.7065	6.1425	5.7940	4.8368	4.6113	5.4886	5.4886
C13	4.1210	2.8500	2.4684	3.7012	4.5198	5.4886	5.7940	5.2114	4.1210	3.5809	2.3614	1.4594		1.3905	2.4684	3.5809	3.5809	2.4684	2.8500	2.4684	1.4594	2.3614	3.5809	4.5198	4.5198	5.4119	6.1425	6.6678	6.5139	6.6678	6.9587	7.1101	6.9728	6.6678	6.1425	5.4119	5.2114	4.1210	3.7012	4.5198	4.1210	4.8368	4.6113	5.4886	6.1425	5.7940	6.0708	5.4886	5.7940	6.5139	6.6678	6.9587	6.7065	6.7065	6.1425	5.4886	4.6113	4.8368	5.7940	6.0708
C14	3.7012	2.4684	2.8500	4.1210	4.5198	5.4886	6.0708	5.7940	4.8368	4.6113	3.5809	2.4684	1.3905		1.4594	2.3614	2.3614	1.4594	2.4684	2.8500	2.4684	3.5809	4.6113	5.4886	5.4886	6.1425	6.7065	6.9587	6.6678	6.5139	6.6678	6.9728	7.1101	6.9587	6.7065	6.1425	5.7940	4.8368	4.1210	4.5198	3.7012	4.1210	3.5809	4.5198	5.4119	5.2114	5.7940	5.4886	6.0708	6.6678	6.5139	6.6678	6.1425	6.1425	5.4119	4.5198	3.5809	4.1210	5.2114	5.7940
C15	2.4684	1.3905	2.4684	3.5809	3.5809	4.6113	5.4886	5.4886	4.6113	4.8368	4.1210	2.8500	2.4684	1.4594		1.4594	2.3614	2.3614	3.5809	4.1209	3.7012	4.5198	5.4886	6.0708	5.7940	6.1425	6.7065	6.7065	6.1425	5.7940	6.0708	6.6678	6.9587	7.1101	6.9587	6.6678	6.5139	5.7940	5.2114	5.4119	4.5198	4.5198	3.5809	4.1209	5.2114	5.4119	6.1425	6.1425	6.6678	6.9728	6.6678	6.5139	5.7940	5.4886	4.5198	3.7012	2.4684	2.8500	4.1210	4.8368
C16	2.8500	2.4684	3.7012	4.5198	4.1210	4.8368	5.7940	6.0708	5.4886	5.7940	5.2114	4.1210	3.5809	2.3614	1.4594		1.4594	2.3614	3.5809	4.5198	4.5198	5.4119	6.1425	6.6678	6.5139	6.6678	6.9587	6.7065	6.1425	5.4886	5.4886	6.1425	6.7065	6.9587	7.1101	6.9728	6.6678	6.1425	5.4119	5.2114	4.1210	3.7012	2.4684	2.8500	4.1210	4.5198	5.4886	5.7940	6.5139	6.6678	6.0708	5.7940	4.8368	4.6113	3.5809	2.4684	1.3905	2.4684	3.5809	4.6113
C17	4.1210	3.5809	4.5198	5.4119	5.2114	5.7940	6.5139	6.6678	6.1425	6.1425	5.4119	4.5198	3.5809	2.3614	2.3614	1.4594		1.4594	2.4684	3.7012	4.1210	5.2114	5.7940	6.5139	6.6678	6.9728	7.1101	6.9587	6.6678	6.0708	5.7940	6.1425	6.7065	6.7065	6.9587	6.6678	6.0708	5.4886	4.5198	4.1209	2.8500	2.4684	1.3905	2.4684	3.5809	3.5809	4.6113	4.8368	5.7940	6.1425	5.4886	5.4886	4.6113	4.8368	4.1210	2.8500	2.4684	3.7012	4.5198	5.4886
C18	4.5198	3.5809	4.1210	5.2114	5.4119	6.1425	6.6678	6.5139	5.7940	5.4886	4.5198	3.7012	2.4684	1.4594	2.3614	2.3614	1.4594		1.3905	2.4684	2.8500	4.1209	4.8368	5.7940	6.0708	6.6678	6.9587	7.1101	6.9728	6.6678	6.5139	6.6678	6.9587	6.7065	6.7065	6.1425	5.4886	4.6113	3.5809	3.5809	2.4684	2.8500	2.4684	3.7012	4.5198	4.1209	4.8368	4.6113	5.4886	6.1425	5.7940	6.0708	5.4886	5.7940	5.2114	4.1210	3.5809	4.5198	5.4119	6.1425
C19	5.4886	4.6113	4.8368	5.7940	6.1425	6.7065	6.9587	6.6678	6.0708	5.4886	4.5198	4.1209	2.8500	2.4684	3.5809	3.5809	2.4684	1.3905		1.4594	2.4684	3.7012	4.1210	5.2114	5.7940	6.5139	6.6678	6.9728	7.1101	6.9587	6.6678	6.5139	6.6678	6.1425	6.1425	5.4119	4.5198	3.5809	2.3614	2.3614	1.4594	2.4684	2.8500	4.1209	4.5198	3.7012	4.1210	3.5809	4.5198	5.4119	5.2114	5.7940	5.4886	6.0708	5.7940	4.8368	4.6113	5.4886	6.1425	6.7065
C20	5.7940	4.8368	4.6113	5.4886	6.1425	6.7065	6.7065	6.1425	5.4886	4.6113	3.5809	3.5809	2.4684	2.8500	4.1209	4.5198	3.7012	2.4684	1.4594		1.3905	2.4684	2.8500	4.1210	4.8368	5.7940	6.0708	6.6678	6.9587	7.1101	6.9728	6.6678	6.5139	5.7940	5.4886	4.5198	3.7012	2.4684	1.4594	2.3614	2.3614	3.5809	4.1210	5.2114	5.4119	4.5198	4.5198	3.5809	4.1210	5.2114	5.4119	6.1425	6.1425	6.6678	6.5139	5.7940	5.4886	6.0708	6.6678	6.9587
C21	5.2114	4.1210	3.5809	4.5198	5.4119	6.1425	6.1425	5.4119	4.5198	3.5809	2.3614	2.3614	1.4594	2.4684	3.7012	4.5198	4.1210	2.8500	2.4684	1.3905		1.4594	2.4684	3.7012	4.1210	5.2114	5.7940	6.5139	6.6678	6.9728	7.1101	6.9587	6.6678	6.0708	5.4886	4.5198	4.1210	2.8500	2.4684	3.5809	3.5809	4.6113	4.8368	5.7940	6.1425	5.4886	5.4886	4.6113	4.8368	5.7940	6.1425	6.7065	6.7065	6.9587	6.6678	6.0708	5.4886	5.7940	6.5139	6.6678
C22	5.4119	4.5198	3.5809	4.1209	5.2114	5.7940	5.4886	4.5198	3.7012	2.4684	1.4594	2.3614	2.3614	3.5809	4.5198	5.4119	5.2114	4.1209	3.7012	2.4684	1.4594		1.3905	2.4684	2.8500	4.1210	4.8368	5.7940	6.0708	6.6678	6.9587	6.7065	6.1425	5.4886	4.6113	3.5809	3.5809	2.4684	2.8500	4.1209	4.5198	5.4886	5.7940	6.5139	6.6678	6.0708	5.7940	4.8368	4.6113	5.4886	6.1425	6.7065	6.9587	7.1101	6.9728	6.6678	6.1425	6.1425	6.6678	6.5139
C23	6.1425	5.4886	4.6113	4.8368	5.7940	6.0708	5.4886	4.5198	4.1210	2.8500	2.4684	3.5809	3.5809	4.6113	5.4886	6.1425	5.7940	4.8368	4.1210	2.8500	2.4684	1.3905		1.4594	2.4684	3.7012	4.1210	5.2114	5.7940	6.5139	6.6678	6.1425	5.4119	4.5198	3.5809	2.3614	2.3614	1.4594	2.4684	3.7012	4.5198	5.4886	6.0708	6.6678	6.5139	5.7940	5.2114	4.1210	3.5809	4.5198	5.4119	6.1425	6.6678	6.9728	7.1101	6.9587	6.7065	6.7065	6.9587	6.6678
C24	6.1425	5.7940	4.8368	4.6113	5.4886	5.4886	4.6113	3.5809	3.5809	2.4684	2.8500	4.1210	4.5198	5.4886	6.0708	6.6678	6.5139	5.7940	5.2114	4.1210	3.7012	2.4684	1.4594		1.3905	2.4684	2.8500	4.1210	4.8368	5.7940	6.0708	5.4886	4.5198	3.7012	2.4684	1.4594	2.3614	2.3614	3.5809	4.5198	5.4119	6.1425	6.6678	6.9728	6.6678	6.1425	5.4119	4.5198	3.5809	4.1210	5.2114	5.7940	6.5139	6.6678	6.9587	7.1101	6.9587	6.7065	6.7065	6.1425
C25	5.4119	5.2114	4.1209	3.5809	4.5198	4.5198	3.5809	2.3614	2.3614	1.4594	2.4684	3.7012	4.5198	5.4886	5.7940	6.5139	6.6678	6.0708	5.7940	4.8368	4.1210	2.8500	2.4684	1.3905		1.4594	2.4684	3.7012	4.1209	5.2114	5.7940	5.4886	4.5198	4.1209	2.8500	2.4684	3.5809	3.5809	4.6113	5.4886	6.1425	6.7065	6.9587	7.1101	6.9587	6.7065	6.1425	5.4886	4.6113	4.8368	5.7940	6.0708	6.6678	6.5139	6.6678	6.9728	6.6678	6.1425	6.1425	5.4119
C26	5.2114	5.4119	4.5198	3.5809	4.1210	3.7012	2.4684	1.4594	2.3614	2.3614	3.5809	4.5198	5.4119	6.1425	6.1425	6.6678	6.9728	6.6678	6.5139	5.7940	5.2114	4.1210	3.7012	2.4684	1.4594		1.3905	2.4684	2.8500	4.1210	4.8368	4.6113	3.5809	3.5809	2.4684	2.8500	4.1210	4.5198	5.4886	6.0708	6.6678	6.9587	7.1101	6.9587	6.7065	6.7065	6.1425	5.7940	4.8368	4.6113	5.4886	5.4886	6.1425	5.7940	6.0708	6.6678	6.5139	5.7940	5.4886	4.5198
C27	5.7940	6.1425	5.4886	4.6113	4.8368	4.1209	2.8500	2.4684	3.5809	3.5809	4.6113	5.4886	6.1425	6.7065	6.7065	6.9587	7.1101	6.9587	6.6678	6.0708	5.7940	4.8368	4.1210	2.8500	2.4684	1.3905		1.4594	2.4684	3.7012	4.1210	3.5809	2.3614	2.3614	1.4594	2.4684	3.7012	4.5198	5.4886	5.7940	6.5139	6.6678	6.9728	6.6678	6.1425	6.1425	5.4119	5.2114	4.1210	3.5809	4.5198	4.5198	5.4119	5.2114	5.7940	6.5139	6.6678	6.0708	5.4886	4.5198
C28	5.4886	6.1425	5.7940	4.8368	4.6113	3.5809	2.4684	2.8500	4.1209	4.5198	5.4886	6.0708	6.6678	6.9587	6.7065	6.7065	6.9587	7.1101	6.9728	6.6678	6.5139	5.7940	5.2114	4.1210	3.7012	2.4684	1.4594		1.3905	2.4684	2.8500	2.4684	1.4594	2.3614	2.3614	3.5809	4.5198	5.4119	6.1425	6.1425	6.6678	6.5139	6.6678	6.0708	5.4886	5.7940	5.2114	5.4119	4.5198	3.5809	4.1210	3.7012	4.5198	4.1209	4.8368	5.7940	6.1425	5.4886	4.6113	3.5809
C29	4.5198	5.4119	5.2114	4.1210	3.5809	2.3614	1.4594	2.4684	3.7012	4.5198	5.4886	5.7940	6.5139	6.6678	6.1425	6.1425	6.6678	6.9728	7.1101	6.9587	6.6678	6.0708	5.7940	4.8368	4.1209	2.8500	2.4684	1.3905		1.4594	2.4684	2.8500	2.4684	3.5809	3.5809	4.6113	5.4886	6.1425	6.7065	6.7065	6.9587	6.6678	6.5139	5.7940	5.4886	6.0708	5.7940	6.1425	5.4886	4.6113	4.8368	4.1209	4.5198	3.7012	4.1210	5.2114	5.4119	4.5198	3.5809	2.3614
C30	4.1210	5.2114	5.4119	4.5198	3.5809	2.3614	2.3614	3.5809	4.5198	5.4119	6.1425	6.1425	6.6678	6.5139	5.7940	5.4886	6.0708	6.6678	6.9587	7.1101	6.9728	6.6678	6.5139	5.7940	5.2114	4.1210	3.7012	2.4684	1.4594		1.3905	2.4684	2.8500	4.1209	4.5198	5.4886	6.0708	6.6678	6.9587	6.7065	6.7065	6.1425	5.7940	4.8368	4.6113	5.4886	5.4886	6.1425	5.7940	4.8368	4.6113	3.5809	3.5809	2.4684	2.8500	4.1210	4.5198	3.7012	2.4684	1.4594
C31	4.8368	5.7940	6.1425	5.4886	4.6113	3.5809	3.5809	4.6113	5.4886	6.1425	6.7065	6.7065	6.9587	6.6678	6.0708	5.4886	5.7940	6.5139	6.6678	6.9728	7.1101	6.9587	6.6678	6.0708	5.7940	4.8368	4.1210	2.8500	2.4684	1.3905		1.4594	2.4684	3.7012	4.5198	5.4886	5.7940	6.5139	6.6678	6.1425	6.1425	5.4119	5.2114	4.1210	3.5809	4.5198	4.5198	5.4119	5.2114	4.1210	3.5809	2.3614	2.3614	1.4594	2.4684	3.7012	4.5198	4.1210	2.8500	2.4684
C32	5.7940	6.5139	6.6678	6.0708	5.4886	4.5198	4.1210	4.8368	5.7940	6.1425	6.7065	6.9587	7.1101	6.9728	6.6678	6.1425	6.1425	6.6678	6.5139	6.6678	6.9587	6.7065	6.1425	5.4886	5.4886	4.6113	3.5809	2.4684	2.8500	2.4684	1.4594		1.3905	2.4684	3.5809	4.6113	4.8368	5.7940	6.0708	5.4886	5.7940	5.2114	5.4119	4.5198	3.5809	4.1210	3.7012	4.5198	4.1210	2.8500	2.4684	1.4594	2.3614	2.3614	3.5809	4.5198	5.4119	5.2114	4.1210	3.7012
C33	6.0708	6.6678	6.5139	5.7940	5.4886	4.5198	3.7012	4.1210	5.2114	5.4119	6.1425	6.6678	6.9728	7.1101	6.9587	6.7065	6.7065	6.9587	6.6678	6.5139	6.6678	6.1425	5.4119	4.5198	4.5198	3.5809	2.3614	1.4594	2.4684	2.8500	2.4684	1.3905		1.4594	2.3614	3.5809	4.1210	5.2114	5.7940	5.4886	6.0708	5.7940	6.1425	5.4886	4.6113	4.8368	4.1210	4.5198	3.7012	2.4684	2.8500	2.4684	3.5809	3.5809	4.6113	5.4886	6.1425	5.7940	4.8368	4.1210
C34	6.6678	6.9728	6.6678	6.1425	6.1425	5.4119	4.5198	4.5198	5.4119	5.2114	5.7940	6.5139	6.6678	6.9587	7.1101	6.9587	6.7065	6.7065	6.1425	5.7940	6.0708	5.4886	4.5198	3.7012	4.1209	3.5809	2.3614	2.3614	3.5809	4.1209	3.7012	2.4684	1.4594		1.4594	2.4684	2.8500	4.1210	4.8368	4.6113	5.4886	5.4886	6.1425	5.7940	4.8368	4.6113	3.5809	3.5809	2.4684	1.3905	2.4684	2.8500	4.1210	4.5198	5.4886	6.0708	6.6678	6.5139	5.7940	5.2114
C35	6.5139	6.6678	6.0708	5.4886	5.7940	5.2114	4.1210	3.7012	4.5198	4.1210	4.8368	5.7940	6.1425	6.7065	6.9587	7.1101	6.9587	6.7065	6.1425	5.4886	5.4886	4.6113	3.5809	2.4684	2.8500	2.4684	1.4594	2.3614	3.5809	4.5198	4.5198	3.5809	2.3614	1.4594		1.3905	2.4684	3.5809	4.6113	4.8368	5.7940	6.0708	6.6678	6.5139	5.7940	5.4886	4.5198	4.1210	2.8500	2.4684	3.7012	4.1210	5.2114	5.4119	6.1425	6.6678	6.9728	6.6678	6.1425	5.4119
C36	6.6678	6.5139	5.7940	5.4886	6.0708	5.7940	4.8368	4.1210	4.5198	3.7012	4.1210	5.2114	5.4119	6.1425	6.6678	6.9728	6.6678	6.1425	5.4119	4.5198	4.5198	3.5809	2.3614	1.4594	2.4684	2.8500	2.4684	3.5809	4.6113	5.4886	5.4886	4.6113	3.5809	2.4684	1.3905		1.4594	2.3614	3.5809	4.1210	5.2114	5.7940	6.5139	6.6678	6.0708	5.4886	4.5198	3.7012	2.4684	2.8500	4.1210	4.8368	5.7940	6.1425	6.7065	6.9587	7.1101	6.9587	6.7065	6.1425
C37	6.9728	6.6678	6.1425	6.1425	6.6678	6.5139	5.7940	5.2114	5.4119	4.5198	4.5198	5.4119	5.2114	5.7940	6.5139	6.6678	6.0708	5.4886	4.5198	3.7012	4.1210	3.5809	2.3614	2.3614	3.5809	4.1210	3.7012	4.5198	5.4886	6.0708	5.7940	4.8368	4.1210	2.8500	2.4684	1.4594		1.4594	2.4684	2.8500	4.1210	4.8368	5.7940	6.1425	5.4886	4.6113	3.5809	2.4684	1.3905	2.4684	3.5809	4.6113	5.4886	6.1425	6.7065	6.7065	6.9587	7.1101	6.9587	6.6678
C38	6.6678	6.0708	5.4886	5.7940	6.5139	6.6678	6.1425	5.4119	5.2114	4.1210	3.7012	4.5198	4.1210	4.8368	5.7940	6.1425	5.4886	4.6113	3.5809	2.4684	2.8500	2.4684	1.4594	2.3614	3.5809	4.5198	4.5198	5.4119	6.1425	6.6678	6.5139	5.7940	5.2114	4.1210	3.5809	2.3614	1.4594		1.3905	2.4684	3.5809	4.6113	5.4886	6.1425	5.7940	4.8368	4.1210	2.8500	2.4684	3.7012	4.5198	5.4886	6.0708	6.6678	6.9587	6.7065	6.7065	6.9587	7.1101	6.9728
C39	6.5139	5.7940	5.4886	6.0708	6.6678	6.9587	6.7065	6.1425	5.7940	4.8368	4.1210	4.5198	3.7012	4.1210	5.2114	5.4119	4.5198	3.5809	2.3614	1.4594	2.4684	2.8500	2.4684	3.5809	4.6113	5.4886	5.4886	6.1425	6.7065	6.9587	6.6678	6.0708	5.7940	4.8368	4.6113	3.5809	2.4684	1.3905		1.4594	2.3614	3.5809	4.5198	5.4119	5.2114	4.1210	3.7012	2.4684	2.8500	4.1210	4.5198	5.4886	5.7940	6.5139	6.6678	6.1425	6.1425	6.6678	6.9728	7.1101
C40	6.6678	6.1425	6.1425	6.6678	6.9728	7.1101	6.9587	6.6678	6.5139	5.7940	5.2114	5.4119	4.5198	4.5198	5.4119	5.2114	4.1209	3.5809	2.3614	2.3614	3.5809	4.1209	3.7012	4.5198	5.4886	6.0708	5.7940	6.1425	6.7065	6.7065	6.1425	5.4886	5.4886	4.6113	4.8368	4.1210	2.8500	2.4684	1.4594		1.4594	2.4684	3.7012	4.5198	4.1210	2.8500	2.4684	1.3905	2.4684	3.5809	3.5809	4.6113	4.8368	5.7940	6.0708	5.4886	5.7940	6.5139	6.6678	6.9587
C41	6.0708	5.4886	5.7940	6.5139	6.6678	6.9587	7.1101	6.9728	6.6678	6.1425	5.4119	5.2114	4.1210	3.7012	4.5198	4.1210	2.8500	2.4684	1.4594	2.3614	3.5809	4.5198	4.5198	5.4119	6.1425	6.6678	6.5139	6.6678	6.9587	6.7065	6.1425	5.7940	6.0708	5.4886	5.7940	5.2114	4.1210	3.5809	2.3614	1.4594		1.3905	2.4684	3.5809	3.5809	2.4684	2.8500	2.4684	3.7012	4.5198	4.1210	4.8368	4.6113	5.4886	5.4886	4.6113	4.8368	5.7940	6.1425	6.7065
C42	5.7940	5.4886	6.0708	6.6678	6.5139	6.6678	6.9728	7.1101	6.9587	6.7065	6.1425	5.7940	4.8368	4.1210	4.5198	3.7012	2.4684	2.8500	2.4684	3.5809	4.6113	5.4886	5.4886	6.1425	6.7065	6.9587	6.6678	6.5139	6.6678	6.1425	5.4119	5.2114	5.7940	5.4886	6.0708	5.7940	4.8368	4.6113	3.5809	2.4684	1.3905		1.4594	2.3614	2.3614	1.4594	2.4684	2.8500	4.1210	4.5198	3.7012	4.1210	3.5809	4.5198	4.5198	3.5809	4.1210	5.2114	5.4119	6.1425
C43	4.8368	4.6113	5.4886	6.1425	5.7940	6.0708	6.6678	6.9587	6.7065	6.7065	6.1425	5.4886	4.6113	3.5809	3.5809	2.4684	1.3905	2.4684	2.8500	4.1210	4.8368	5.7940	6.0708	6.6678	6.9587	7.1101	6.9728	6.6678	6.5139	5.7940	5.2114	5.4119	6.1425	6.1425	6.6678	6.5139	5.7940	5.4886	4.5198	3.7012	2.4684	1.4594		1.4594	2.3614	2.3614	3.5809	4.1210	5.2114	5.4119	4.5198	4.5198	3.5809	4.1210	3.7012	2.4684	2.8500	4.1210	4.5198	5.4886
C44	4.6113	4.8368	5.7940	6.1425	5.4886	5.4886	6.1425	6.7065	6.7065	6.9587	6.6678	6.0708	5.4886	4.5198	4.1209	2.8500	2.4684	3.7012	4.1209	5.2114	5.7940	6.5139	6.6678	6.9728	7.1101	6.9587	6.6678	6.0708	5.7940	4.8368	4.1210	4.5198	5.4886	5.7940	6.5139	6.6678	6.1425	6.1425	5.4119	4.5198	3.5809	2.3614	1.4594		1.4594	2.3614	3.5809	4.5198	5.4119	5.2114	4.1209	3.7012	2.4684	2.8500	2.4684	1.3905	2.4684	3.5809	3.5809	4.6113
C45	5.4886	5.7940	6.5139	6.6678	6.0708	5.7940	6.1425	6.7065	6.9587	7.1101	6.9728	6.6678	6.1425	5.4119	5.2114	4.1210	3.5809	4.5198	4.5198	5.4119	6.1425	6.6678	6.5139	6.6678	6.9587	6.7065	6.1425	5.4886	5.4886	4.6113	3.5809	3.5809	4.6113	4.8368	5.7940	6.0708	5.4886	5.7940	5.2114	4.1210	3.5809	2.3614	2.3614	1.4594		1.4594	2.4684	3.7012	4.5198	4.1210	2.8500	2.4684	1.3905	2.4684	2.8500	2.4684	3.7012	4.5198	4.1210	4.8368
C46	6.1425	6.1425	6.6678	6.9728	6.6678	6.5139	6.6678	6.9587	7.1101	6.9587	6.6678	6.5139	5.7940	5.2114	5.4119	4.5198	3.5809	4.1209	3.7012	4.5198	5.4886	6.0708	5.7940	6.1425	6.7065	6.7065	6.1425	5.7940	6.0708	5.4886	4.5198	4.1210	4.8368	4.6113	5.4886	5.4886	4.6113	4.8368	4.1210	2.8500	2.4684	1.4594	2.3614	2.3614	1.4594		1.3905	2.4684	3.5809	3.5809	2.4684	2.8500	2.4684	3.7012	4.1210	3.5809	4.5198	5.4119	5.2114	5.7940
C47	6.7065	6.7065	6.9587	7.1101	6.9587	6.6678	6.5139	6.6678	6.9728	6.6678	6.5139	6.6678	6.0708	5.7940	6.1425	5.4886	4.6113	4.8368	4.1210	4.5198	5.4886	5.7940	5.2114	5.4119	6.1425	6.1425	5.4119	5.2114	5.7940	5.4886	4.5198	3.7012	4.1210	3.5809	4.5198	4.5198	3.5809	4.1210	3.7012	2.4684	2.8500	2.4684	3.5809	3.5809	2.4684	1.3905		1.4594	2.3614	2.3614	1.4594	2.4684	2.8500	4.1209	4.8368	4.6113	5.4886	6.1425	5.7940	6.0708
C48	6.9587	6.7065	6.7065	6.9587	7.1101	6.9728	6.6678	6.5139	6.6678	6.0708	5.7940	6.1425	5.4886	5.4886	6.1425	5.7940	4.8368	4.6113	3.5809	3.5809	4.6113	4.8368	4.1210	4.5198	5.4886	5.7940	5.2114	5.4119	6.1425	6.1425	5.4119	4.5198	4.5198	3.5809	4.1210	3.7012	2.4684	2.8500	2.4684	1.3905	2.4684	2.8500	4.1210	4.5198	3.7012	2.4684	1.4594		1.4594	2.3614	2.3614	3.5809	4.1210	5.2114	5.7940	5.4886	6.0708	6.6678	6.5139	6.6678
C49	7.1101	6.9587	6.7065	6.7065	6.9587	6.6678	6.0708	5.7940	6.1425	5.4886	5.4886	6.1425	5.7940	6.0708	6.6678	6.5139	5.7940	5.4886	4.5198	4.1210	4.8368	4.6113	3.5809	3.5809	4.6113	4.8368	4.1210	4.5198	5.4886	5.7940	5.2114	4.1210	3.7012	2.4684	2.8500	2.4684	1.3905	2.4684	2.8500	2.4684	3.7012	4.1210	5.2114	5.4119	4.5198	3.5809	2.3614	1.4594		1.4594	2.3614	3.5809	4.5198	5.4119	6.1425	6.1425	6.6678	6.9728	6.6678	6.5139
C50	6.9587	7.1101	6.9587	6.7065	6.7065	6.1425	5.4886	5.4886	6.1425	5.7940	6.0708	6.6678	6.5139	6.6678	6.9728	6.6678	6.1425	6.1425	5.4119	5.2114	5.7940	5.4886	4.5198	4.1210	4.8368	4.6113	3.5809	3.5809	4.6113	4.8368	4.1210	2.8500	2.4684	1.3905	2.4684	2.8500	2.4684	3.7012	4.1210	3.5809	4.5198	4.5198	5.4119	5.2114	4.1210	3.5809	2.3614	2.3614	1.4594		1.4594	2.4684	3.7012	4.5198	5.4886	5.7940	6.5139	6.6678	6.0708	5.7940
C51	6.7065	6.9587	7.1101	6.9587	6.7065	6.1425	5.7940	6.0708	6.6678	6.5139	6.6678	6.9728	6.6678	6.5139	6.6678	6.0708	5.4886	5.7940	5.2114	5.4119	6.1425	6.1425	5.4119	5.2114	5.7940	5.4886	4.5198	4.1210	4.8368	4.6113	3.5809	2.4684	2.8500	2.4684	3.7012	4.1210	3.5809	4.5198	4.5198	3.5809	4.1210	3.7012	4.5198	4.1209	2.8500	2.4684	1.4594	2.3614	2.3614	1.4594		1.3905	2.4684	3.5809	4.6113	4.8368	5.7940	6.1425	5.4886	5.4886
C52	6.1425	6.6678	6.9728	6.6678	6.1425	5.4119	5.2114	5.7940	6.5139	6.6678	6.9587	7.1101	6.9587	6.6678	6.5139	5.7940	5.4886	6.0708	5.7940	6.1425	6.7065	6.7065	6.1425	5.7940	6.0708	5.4886	4.5198	3.7012	4.1209	3.5809	2.3614	1.4594	2.4684	2.8500	4.1210	4.8368	4.6113	5.4886	5.4886	4.6113	4.8368	4.1210	4.5198	3.7012	2.4684	2.8500	2.4684	3.5809	3.5809	2.4684	1.3905		1.4594	2.3614	3.5809	4.1210	5.2114	5.4119	4.5198	4.5198
C53	5.4886	6.0708	6.6678	6.5139	5.7940	5.2114	5.4119	6.1425	6.6678	6.9728	7.1101	6.9587	6.7065	6.1425	5.7940	4.8368	4.6113	5.4886	5.4886	6.1425	6.7065	6.9587	6.6678	6.5139	6.6678	6.1425	5.4119	4.5198	4.5198	3.5809	2.3614	2.3614	3.5809	4.1210	5.2114	5.7940	5.4886	6.0708	5.7940	4.8368	4.6113	3.5809	3.5809	2.4684	1.3905	2.4684	2.8500	4.1210	4.5198	3.7012	2.4684	1.4594		1.4594	2.4684	2.8500	4.1210	4.5198	3.7012	4.1210
C54	4.6113	5.4886	6.1425	5.7940	4.8368	4.1209	4.5198	5.4886	6.0708	6.6678	6.9587	6.7065	6.7065	6.1425	5.4886	4.6113	4.8368	5.7940	6.0708	6.6678	6.9587	7.1101	6.9728	6.6678	6.5139	5.7940	5.2114	4.1209	3.7012	2.4684	1.4594	2.3614	3.5809	4.5198	5.4119	6.1425	6.1425	6.6678	6.5139	5.7940	5.4886	4.5198	4.1210	2.8500	2.4684	3.7012	4.1209	5.2114	5.4119	4.5198	3.5809	2.3614	1.4594		1.3905	2.4684	3.5809	3.5809	2.4684	2.8500
C55	3.5809	4.5198	5.4119	5.2114	4.1210	3.7012	4.5198	5.4886	5.7940	6.5139	6.6678	6.1425	6.1425	5.4119	4.5198	3.5809	4.1210	5.2114	5.7940	6.5139	6.6678	6.9728	7.1101	6.9587	6.6678	6.0708	5.7940	4.8368	4.1210	2.8500	2.4684	3.5809	4.6113	5.4886	6.1425	6.7065	6.7065	6.9587	6.6678	6.0708	5.4886	4.5198	3.7012	2.4684	2.8500	4.1210	4.8368	5.7940	6.1425	5.4886	4.6113	3.5809	2.4684	1.3905		1.4594	2.3614	2.3614	1.4594	2.4684
C56	3.5809	4.1210	5.2114	5.4119	4.5198	4.5198	5.4119	6.1425	6.1425	6.6678	6.5139	5.7940	5.4886	4.5198	3.7012	2.4684	2.8500	4.1210	4.8368	5.7940	6.0708	6.6678	6.9587	7.1101	6.9728	6.6678	6.5139	5.7940	5.2114	4.1210	3.7012	4.5198	5.4886	6.0708	6.6678	6.9587	6.7065	6.7065	6.1425	5.4886	4.6113	3.5809	2.4684	1.3905	2.4684	3.5809	4.6113	5.4886	6.1425	5.7940	4.8368	4.1210	2.8500	2.4684	1.4594		1.4594	2.3614	2.3614	3.5809
C57	2.4684	2.8500	4.1210	4.5198	3.7012	4.1210	5.2114	5.7940	5.4886	6.0708	5.7940	4.8368	4.6113	3.5809	2.4684	1.3905	2.4684	3.5809	4.6113	5.4886	5.4886	6.1425	6.7065	6.9587	6.6678	6.5139	6.6678	6.1425	5.4119	4.5198	4.5198	5.4119	6.1425	6.6678	6.9728	7.1101	6.9587	6.7065	6.1425	5.7940	4.8368	4.1210	2.8500	2.4684	3.7012	4.5198	5.4886	6.0708	6.6678	6.5139	5.7940	5.2114	4.1210	3.5809	2.3614	1.4594		1.4594	2.3614	3.5809
C58	1.3905	2.4684	3.5809	3.5809	2.4684	2.8500	4.1210	4.8368	4.6113	5.4886	5.4886	4.6113	4.8368	4.1210	2.8500	2.4684	3.7012	4.5198	5.4886	6.0708	5.7940	6.1425	6.7065	6.7065	6.1425	5.7940	6.0708	5.4886	4.5198	3.7012	4.1210	5.2114	5.7940	6.5139	6.6678	6.9587	7.1101	6.9587	6.6678	6.5139	5.7940	5.2114	4.1210	3.5809	4.5198	5.4119	6.1425	6.6678	6.9728	6.6678	6.1425	5.4119	4.5198	3.5809	2.3614	2.3614	1.4594		1.4594	2.4684
C59	2.4684	3.7012	4.5198	4.1210	2.8500	2.4684	3.5809	4.6113	4.8368	5.7940	6.0708	5.4886	5.7940	5.2114	4.1210	3.5809	4.5198	5.4119	6.1425	6.6678	6.5139	6.6678	6.9587	6.7065	6.1425	5.4886	5.4886	4.6113	3.5809	2.4684	2.8500	4.1210	4.8368	5.7940	6.1425	6.7065	6.9587	7.1101	6.9728	6.6678	6.1425	5.4119	4.5198	3.5809	4.1210	5.2114	5.7940	6.5139	6.6678	6.0708	5.4886	4.5198	3.7012	2.4684	1.4594	2.3614	2.3614	1.4594		1.3905
C60	2.8500	4.1210	4.5198	3.7012	2.4684	1.4594	2.3614	3.5809	4.1210	5.2114	5.7940	5.4886	6.0708	5.7940	4.8368	4.6113	5.4886	6.1425	6.7065	6.9587	6.6678	6.5139	6.6678	6.1425	5.4119	4.5198	4.5198	3.5809	2.3614	1.4594	2.4684	3.7012	4.1210	5.2114	5.4119	6.1425	6.6678	6.9728	7.1101	6.9587	6.7065	6.1425	5.4886	4.6113	4.8368	5.7940	6.0708	6.6678	6.5139	5.7940	5.4886	4.5198	4.1210	2.8500	2.4684	3.5809	3.5809	2.4684	1.3905

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 B3LYP/3-21G Charges (e)

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

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

	x	y	z	Total
	0.000	0.000	0.000	0.000
CHELPG
AIM
ESP

Electric Quadrupole moment
Quadrupole components in D Å

Primitive   x y z x -339.179 0.000 0.000 y 0.000 -339.179 0.000 z 0.000 0.000 -339.179

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	64.897	0.000	0.000
y	0.000	64.897	0.000
z	0.000	0.000	64.897

<r²> (average value of r²) Ų

<r2>	4761.610
(<r2>)1/2	69.004