All results from a given calculation for C₆₀ (Buckminsterfullerene)

Energy calculated at mPW1PW91/STO-3G

	hartrees
Energy at 0K	-2258.145880
Energy at 298.15K	-2258.142668
HF Energy	-2258.145880
Nuclear repulsion energy	8252.672066

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 mPW1PW91/STO-3G

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	1601	1407	0.00
2	Ag	516	454	0.00
3	Au	1008	886	0.00
4	T1g	1395	1226	0.00
4	T1g	1395	1226	0.00
4	T1g	1395	1226	0.00
5	T1g	880	774	0.00
5	T1g	880	774	0.00
5	T1g	880	774	0.00
6	T1g	608	534	0.00
6	T1g	608	534	0.00
6	T1g	608	534	0.00
7	T1u	1557	1368	12.05
7	T1u	1557	1368	12.05
7	T1u	1557	1368	12.05
8	T1u	1305	1147	22.82
8	T1u	1305	1147	22.82
8	T1u	1305	1147	22.82
9	T1u	613	539	0.99
9	T1u	613	539	0.98
9	T1u	613	539	0.99
10	T1u	558	491	23.27
10	T1u	558	491	23.27
10	T1u	558	491	23.27
11	T2g	1478	1299	0.00
11	T2g	1478	1299	0.00
11	T2g	1478	1299	0.00
12	T2g	842	740	0.00
12	T2g	842	740	0.00
12	T2g	842	740	0.00
13	T2g	829	729	0.00
13	T2g	829	729	0.00
13	T2g	829	729	0.00
14	T2g	590	519	0.00
14	T2g	590	519	0.00
14	T2g	590	519	0.00
15	T2u	1668	1466	0.00
15	T2u	1668	1466	0.00
15	T2u	1668	1466	0.00
16	T2u	1276	1121	0.00
16	T2u	1276	1121	0.00
16	T2u	1276	1121	0.00
17	T2u	1031	907	0.00
17	T2u	1031	907	0.00
17	T2u	1031	907	0.00
18	T2u	749	659	0.00
18	T2u	749	659	0.00
81	T2u	749	659	0.00
19	T2u	361	318	0.00
19	T2u	361	318	0.00
19	T2u	361	318	0.00
20	Gg	1642	1444	0.00
20	Gg	1642	1444	0.00
20	Gg	1642	1444	0.00
20	Gg	1642	1444	0.00
21	Gg	1417	1245	0.00
21	Gg	1417	1245	0.00
21	Gg	1417	1245	0.00
21	Gg	1417	1245	0.00
22	Gg	1165	1024	0.00
22	Gg	1165	1024	0.00
22	Gg	1165	1024	0.00
22	Gg	1165	1024	0.00
23	Gg	807	709	0.00
23	Gg	807	709	0.00
23	Gg	807	709	0.00
23	Gg	807	709	0.00
24	Gg	603	530	0.00
24	Gg	603	530	0.00
24	Gg	603	530	0.00
24	Gg	603	530	0.00
25	Gg	519	456	0.00
25	Gg	519	456	0.00
25	Gg	519	456	0.00
25	Gg	519	456	0.00
26	Gu	1564	1374	0.00
26	Gu	1564	1374	0.00
26	Gu	1564	1374	0.00
26	Gu	1564	1374	0.00
27	Gu	1427	1255	0.00
27	Gu	1427	1255	0.00
27	Gu	1427	1255	0.00
27	Gu	1427	1255	0.00
28	Gu	1037	912	0.00
28	Gu	1037	912	0.00
28	Gu	1037	912	0.00
28	Gu	1037	912	0.00
29	Gu	835	734	0.00
29	Gu	835	734	0.00
29	Gu	835	734	0.00
29	Gu	835	734	0.00
30	Gu	797	700	0.00
30	Gu	797	700	0.00
30	Gu	797	700	0.00
30	Gu	797	700	0.00
31	Gu	375	329	0.00
31	Gu	375	329	0.00
31	Gu	375	329	0.00
31	Gu	375	329	0.00
32	Hg	1725	1517	0.00
32	Hg	1725	1517	0.00
32	Hg	1725	1517	0.00
32	Hg	1725	1517	0.00
32	Hg	1725	1517	0.00
33	Hg	1551	1363	0.00
33	Hg	1551	1363	0.00
33	Hg	1551	1363	0.00
33	Hg	1551	1363	0.00
33	Hg	1551	1363	0.00
34	Hg	1379	1212	0.00
34	Hg	1379	1212	0.00
34	Hg	1379	1212	0.00
34	Hg	1379	1212	0.00
34	Hg	1379	1212	0.00
35	Hg	1198	1053	0.00
35	Hg	1198	1053	0.00
35	Hg	1198	1053	0.00
35	Hg	1198	1053	0.00
35	Hg	1198	1053	0.00
36	Hg	825	725	0.00
36	Hg	825	725	0.00
36	Hg	825	725	0.00
36	Hg	825	725	0.00
36	Hg	825	725	0.00
37	Hg	750	659	0.00
37	Hg	750	659	0.00
37	Hg	750	659	0.00
37	Hg	750	659	0.00
37	Hg	750	659	0.00
38	Hg	458	403	0.00
38	Hg	458	403	0.00
38	Hg	458	403	0.00
38	Hg	458	403	0.00
38	Hg	458	403	0.00
39	Hg	277	243	0.00
39	Hg	277	243	0.00
39	Hg	277	243	0.00
39	Hg	277	243	0.00
39	Hg	277	243	0.00
40	Hu	1717	1509	0.00
40	Hu	1717	1509	0.00
40	Hu	1717	1509	0.00
40	Hu	1717	1509	0.00
40	Hu	1717	1509	0.00
41	Hu	1470	1292	0.00
41	Hu	1470	1292	0.00
41	Hu	1470	1292	0.00
41	Hu	1470	1292	0.00
41	Hu	1470	1292	0.00
42	Hu	1333	1171	0.00
42	Hu	1333	1171	0.00
42	Hu	1333	1171	0.00
42	Hu	1333	1171	0.00
42	Hu	1333	1171	0.00
43	Hu	789	694	0.00
43	Hu	789	694	0.00
43	Hu	789	694	0.00
43	Hu	789	694	0.00
43	Hu	789	694	0.00
44	Hu	708	622	0.00
44	Hu	708	622	0.00
44	Hu	708	622	0.00
44	Hu	708	622	0.00
44	Hu	708	622	0.00
45	Hu	576	506	0.00
45	Hu	576	506	0.00
45	Hu	576	506	0.00
45	Hu	576	506	0.00
45	Hu	576	506	0.00
46	Hu	425	374	0.00
46	Hu	425	374	0.00
46	Hu	425	374	0.00
46	Hu	425	374	0.00
46	Hu	425	374	0.00

Unscaled Zero Point Vibrational Energy (zpe) 87499.6 cm^-1
Scaled (by 0.8789) Zero Point Vibrational Energy (zpe) 76903.4 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 mPW1PW91/STO-3G

A	B	C
0.00274	0.00274	0.00274

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

Geometric Data calculated at mPW1PW91/STO-3G

Point Group is I_h

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.249	3.357
C2	-1.188	0.386	3.357
C3	-0.734	-1.010	3.357
C4	0.734	-1.010	3.357
C5	1.188	0.386	3.357
C6	2.324	0.755	2.618
C7	3.059	-0.255	1.846
C8	2.624	-1.591	1.846
C9	1.437	-1.977	2.618
C10	0.702	-2.988	1.846
C11	-0.702	-2.988	1.846
C12	-1.437	-1.977	2.618
C13	-2.624	-1.591	1.846
C14	-3.059	-0.255	1.846
C15	-2.324	0.755	2.618
C16	-2.324	2.004	1.846
C17	-3.059	1.766	0.598
C18	-3.512	0.369	0.598
C19	-3.512	-0.369	-0.598
C20	-3.059	-1.766	-0.598
C21	-2.624	-2.363	0.598
C22	-1.437	-3.226	0.598
C23	-0.734	-3.454	-0.598
C24	0.734	-3.454	-0.598
C25	1.437	-3.226	0.598
C26	2.624	-2.363	0.598
C27	3.059	-1.766	-0.598
C28	3.512	-0.369	-0.598
C29	3.512	0.369	0.598
C30	3.059	1.766	0.598
C31	2.624	2.363	-0.598
C32	2.624	1.591	-1.846
C33	3.059	0.255	-1.846
C34	2.324	-0.755	-2.618
C35	2.324	-2.004	-1.846
C36	1.188	-2.830	-1.846
C37	0.000	-2.444	-2.618
C38	-1.188	-2.830	-1.846
C39	-2.324	-2.004	-1.846
C40	-2.324	-0.755	-2.618
C41	-3.059	0.255	-1.846
C42	-2.624	1.591	-1.846
C43	-2.624	2.363	-0.598
C44	-1.437	3.226	-0.598
C45	-0.702	2.988	-1.846
C46	-1.437	1.977	-2.618
C47	-0.734	1.010	-3.357
C48	-1.188	-0.386	-3.357
C49	0.000	-1.249	-3.357
C50	1.188	-0.386	-3.357
C51	0.734	1.010	-3.357
C52	1.437	1.977	-2.618
C53	0.702	2.988	-1.846
C54	1.437	3.226	-0.598
C55	0.734	3.454	0.598
C56	-0.734	3.454	0.598
C57	-1.188	2.830	1.846
C58	0.000	2.444	2.618
C59	1.188	2.830	1.846
C60	2.324	2.004	1.846

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		1.4682	2.3756	2.3756	1.4682	2.4884	3.7281	4.1517	3.6080	4.5524	4.5524	3.6080	4.1517	3.7281	2.4884	2.8732	4.1517	4.5524	5.5311	5.8379	5.2488	5.4503	6.1887	6.1887	5.4503	5.2488	5.8379	5.5311	4.5524	4.1517	4.8752	5.8379	6.1171	6.7175	6.5622	6.7175	7.0245	6.7175	6.5622	6.7175	6.1171	5.8379	4.8752	4.6489	5.5311	6.1887	6.7582	7.0116	7.1636	7.0116	6.7582	6.1887	5.5311	4.6489	3.6080	3.6080	2.4884	1.4050	2.4884	2.8732
C2	1.4682		1.4682	2.3756	2.3756	3.6080	4.5524	4.5524	3.6080	4.1517	3.7281	2.4884	2.8732	2.4884	1.4050	2.4884	3.6080	3.6080	4.6489	4.8752	4.1517	4.5524	5.5311	5.8379	5.2488	5.4503	6.1887	6.1887	5.4503	5.2488	5.8379	6.5622	6.7175	7.0245	6.7175	6.5622	6.7175	6.1171	5.8379	6.1887	5.5311	5.5311	4.6489	4.8752	5.8379	6.1887	6.7582	6.7582	7.0116	7.1636	7.0116	6.7175	6.1171	5.5311	4.5524	4.1517	2.8732	2.4884	3.7281	4.1517
C3	2.3756	1.4682		1.4682	2.3756	3.6080	4.1517	3.7281	2.4884	2.8732	2.4884	1.4050	2.4884	2.8732	2.4884	3.7281	4.5524	4.1517	4.8752	4.6489	3.6080	3.6080	4.6489	4.8752	4.1517	4.5524	5.5311	5.8379	5.2488	5.4503	6.1887	6.7175	6.5622	6.7175	6.1171	5.8379	6.1887	5.5311	5.5311	6.1887	5.8379	6.1171	5.5311	5.8379	6.5622	6.7175	7.0116	6.7582	6.7582	7.0116	7.1636	7.0245	6.7175	6.1887	5.4503	5.2488	4.1517	3.6080	4.5524	4.5524
C4	2.3756	2.3756	1.4682		1.4682	2.4884	2.8732	2.4884	1.4050	2.4884	2.8732	2.4884	3.7281	4.1517	3.6080	4.5524	5.4503	5.2488	5.8379	5.5311	4.5524	4.1517	4.8752	4.6489	3.6080	3.6080	4.6489	4.8752	4.1517	4.5524	5.5311	6.1171	5.8379	6.1887	5.5311	5.5311	6.1887	5.8379	6.1171	6.7175	6.5622	6.7175	6.1887	6.1887	6.7175	7.0245	7.1636	7.0116	6.7582	6.7582	7.0116	6.7175	6.5622	5.8379	5.2488	5.4503	4.5524	3.6080	4.1517	3.7281
C5	1.4682	2.3756	2.3756	1.4682		1.4050	2.4884	2.8732	2.4884	3.7281	4.1517	3.6080	4.5524	4.5524	3.6080	4.1517	5.2488	5.4503	6.1887	6.1887	5.4503	5.2488	5.8379	5.5311	4.5524	4.1517	4.8752	4.6489	3.6080	3.6080	4.6489	5.5311	5.5311	6.1887	5.8379	6.1171	6.7175	6.5622	6.7175	7.0245	6.7175	6.5622	5.8379	5.5311	6.1171	6.7175	7.0116	7.1636	7.0116	6.7582	6.7582	6.1887	5.8379	4.8752	4.1517	4.5524	3.7281	2.4884	2.8732	2.4884
C6	2.4884	3.6080	3.6080	2.4884	1.4050		1.4682	2.4884	2.8732	4.1517	4.8752	4.6489	5.5311	5.5311	4.6489	4.8752	5.8379	6.1887	6.7582	6.7582	6.1887	5.8379	6.1171	5.5311	4.5524	3.7281	4.1517	3.6080	2.3756	2.3756	3.6080	4.5524	4.5524	5.4503	5.2488	5.8379	6.5622	6.7175	7.0115	7.1636	7.0115	6.7175	6.1171	5.5311	5.8379	6.5622	6.7175	7.0245	6.7175	6.1887	6.1887	5.4503	5.2488	4.1517	3.7281	4.5524	4.1517	2.8732	2.4884	1.4682
C7	3.7281	4.5524	4.1517	2.8732	2.4884	1.4682		1.4050	2.4884	3.6080	4.6489	4.8752	5.8379	6.1171	5.5311	5.8379	6.5622	6.7175	7.0116	6.7582	6.1887	5.5311	5.5311	4.6489	3.6080	2.4884	2.8732	2.4884	1.4682	2.3756	3.6080	4.1517	3.7281	4.5524	4.1517	4.8752	5.8379	6.1887	6.7582	7.0115	7.1636	7.0245	6.7175	6.1887	6.1887	6.7175	6.5622	6.7175	6.1171	5.5311	5.8379	5.2488	5.4503	4.5524	4.5524	5.4503	5.2488	4.1517	3.6080	2.3756
C8	4.1517	4.5524	3.7281	2.4884	2.8732	2.4884	1.4050		1.4682	2.3756	3.6080	4.1517	5.2488	5.8379	5.5311	6.1171	6.7175	6.5622	6.7175	6.1887	5.4503	4.5524	4.5524	3.6080	2.3756	1.4682	2.4884	2.8732	2.4884	3.6080	4.6489	4.8752	4.1517	4.5524	3.7281	4.1517	5.2488	5.4503	6.1887	6.7175	7.0245	7.1636	7.0116	6.7582	6.7582	7.0116	6.7175	6.5622	5.8379	5.5311	6.1171	5.8379	6.1887	5.5311	5.5311	6.1887	5.8379	4.8752	4.6489	3.6080
C9	3.6080	3.6080	2.4884	1.4050	2.4884	2.8732	2.4884	1.4682		1.4682	2.4884	2.8732	4.1517	4.8752	4.6489	5.5311	6.1887	5.8379	6.1171	5.5311	4.5524	3.7281	4.1517	3.6080	2.3756	2.3756	3.6080	4.1517	3.7281	4.5524	5.5311	5.8379	5.2488	5.4503	4.5524	4.5524	5.4503	5.2488	5.8379	6.5622	6.7175	7.0116	6.7582	6.7582	7.0116	7.1636	7.0245	6.7175	6.1887	6.1887	6.7175	6.5622	6.7175	6.1171	5.8379	6.1887	5.5311	4.6489	4.8752	4.1517
C10	4.5524	4.1517	2.8732	2.4884	3.7281	4.1517	3.6080	2.3756	1.4682		1.4050	2.4884	3.6080	4.6489	4.8752	5.8379	6.1887	5.5311	5.5311	4.6489	3.6080	2.4884	2.8732	2.4884	1.4682	2.3756	3.6080	4.5524	4.5524	5.4503	6.1887	6.1887	5.4503	5.2488	4.1517	3.7281	4.5524	4.1517	4.8752	5.8379	6.1887	6.7582	6.7582	7.0116	7.1636	7.0116	6.7175	6.1171	5.5311	5.8379	6.5622	6.7175	7.0245	6.7175	6.5622	6.7175	6.1171	5.5311	5.8379	5.2488
C11	4.5524	3.7281	2.4884	2.8732	4.1517	4.8752	4.6489	3.6080	2.4884	1.4050		1.4682	2.3756	3.6080	4.1517	5.2488	5.4503	4.5524	4.5524	3.6080	2.3756	1.4682	2.4884	2.8732	2.4884	3.6080	4.6489	5.5311	5.5311	6.1887	6.7582	6.7582	6.1887	5.8379	4.8752	4.1517	4.5524	3.7281	4.1517	5.2488	5.4503	6.1887	6.1887	6.7175	7.0245	6.7175	6.5622	5.8379	5.5311	6.1171	6.7175	7.0116	7.1636	7.0116	6.7175	6.5622	5.8379	5.5311	6.1171	5.8379
C12	3.6080	2.4884	1.4050	2.4884	3.6080	4.6489	4.8752	4.1517	2.8732	2.4884	1.4682		1.4682	2.4884	2.8732	4.1517	4.5524	3.7281	4.1517	3.6080	2.3756	2.3756	3.6080	4.1517	3.7281	4.5524	5.5311	6.1171	5.8379	6.1887	6.7582	7.0116	6.7175	6.5622	5.8379	5.2488	5.4503	4.5524	4.5524	5.4503	5.2488	5.8379	5.5311	6.1171	6.7175	6.5622	6.7175	6.1887	6.1887	6.7175	7.0245	7.1636	7.0116	6.7582	6.1887	5.8379	4.8752	4.6489	5.5311	5.5311
C13	4.1517	2.8732	2.4884	3.7281	4.5524	5.5311	5.8379	5.2488	4.1517	3.6080	2.3756	1.4682		1.4050	2.4884	3.6080	3.6080	2.4884	2.8732	2.4884	1.4682	2.3756	3.6080	4.5524	4.5524	5.4503	6.1887	6.7175	6.5622	6.7175	7.0116	7.1636	7.0245	6.7175	6.1887	5.4503	5.2488	4.1517	3.7281	4.5524	4.1517	4.8752	4.6489	5.5311	6.1887	5.8379	6.1171	5.5311	5.8379	6.5622	6.7175	7.0116	6.7582	6.7582	6.1887	5.5311	4.6489	4.8752	5.8379	6.1171
C14	3.7281	2.4884	2.8732	4.1517	4.5524	5.5311	6.1171	5.8379	4.8752	4.6489	3.6080	2.4884	1.4050		1.4682	2.3756	2.3756	1.4682	2.4884	2.8732	2.4884	3.6080	4.6489	5.5311	5.5311	6.1887	6.7582	7.0116	6.7175	6.5622	6.7175	7.0245	7.1636	7.0115	6.7582	6.1887	5.8379	4.8752	4.1517	4.5524	3.7281	4.1517	3.6080	4.5524	5.4503	5.2488	5.8379	5.5311	6.1171	6.7175	6.5622	6.7175	6.1887	6.1887	5.4503	4.5524	3.6080	4.1517	5.2488	5.8379
C15	2.4884	1.4050	2.4884	3.6080	3.6080	4.6489	5.5311	5.5311	4.6489	4.8752	4.1517	2.8732	2.4884	1.4682		1.4682	2.3756	2.3756	3.6080	4.1517	3.7281	4.5524	5.5311	6.1171	5.8379	6.1887	6.7582	6.7582	6.1887	5.8379	6.1171	6.7175	7.0115	7.1636	7.0115	6.7175	6.5622	5.8379	5.2488	5.4503	4.5524	4.5524	3.6080	4.1517	5.2488	5.4503	6.1887	6.1887	6.7175	7.0245	6.7175	6.5622	5.8379	5.5311	4.5524	3.7281	2.4884	2.8732	4.1517	4.8752
C16	2.8732	2.4884	3.7281	4.5524	4.1517	4.8752	5.8379	6.1171	5.5311	5.8379	5.2488	4.1517	3.6080	2.3756	1.4682		1.4682	2.3756	3.6080	4.5524	4.5524	5.4503	6.1887	6.7175	6.5622	6.7175	7.0116	6.7582	6.1887	5.5311	5.5311	6.1887	6.7582	7.0115	7.1636	7.0245	6.7175	6.1887	5.4503	5.2488	4.1517	3.7281	2.4884	2.8732	4.1517	4.5524	5.5311	5.8379	6.5622	6.7175	6.1171	5.8379	4.8752	4.6489	3.6080	2.4884	1.4050	2.4884	3.6080	4.6489
C17	4.1517	3.6080	4.5524	5.4503	5.2488	5.8379	6.5622	6.7175	6.1887	6.1887	5.4503	4.5524	3.6080	2.3756	2.3756	1.4682		1.4682	2.4884	3.7281	4.1517	5.2488	5.8379	6.5622	6.7175	7.0245	7.1636	7.0116	6.7175	6.1171	5.8379	6.1887	6.7582	6.7582	7.0116	6.7175	6.1171	5.5311	4.5524	4.1517	2.8732	2.4884	1.4050	2.4884	3.6080	3.6080	4.6489	4.8752	5.8379	6.1887	5.5311	5.5311	4.6489	4.8752	4.1517	2.8732	2.4884	3.7281	4.5524	5.5311
C18	4.5524	3.6080	4.1517	5.2488	5.4503	6.1887	6.7175	6.5622	5.8379	5.5311	4.5524	3.7281	2.4884	1.4682	2.3756	2.3756	1.4682		1.4050	2.4884	2.8732	4.1517	4.8752	5.8379	6.1171	6.7175	7.0116	7.1636	7.0245	6.7175	6.5622	6.7175	7.0116	6.7582	6.7582	6.1887	5.5311	4.6489	3.6080	3.6080	2.4884	2.8732	2.4884	3.7281	4.5524	4.1517	4.8752	4.6489	5.5311	6.1887	5.8379	6.1171	5.5311	5.8379	5.2488	4.1517	3.6080	4.5524	5.4503	6.1887
C19	5.5311	4.6489	4.8752	5.8379	6.1887	6.7582	7.0116	6.7175	6.1171	5.5311	4.5524	4.1517	2.8732	2.4884	3.6080	3.6080	2.4884	1.4050		1.4682	2.4884	3.7281	4.1517	5.2488	5.8379	6.5622	6.7175	7.0245	7.1636	7.0116	6.7175	6.5622	6.7175	6.1887	6.1887	5.4503	4.5524	3.6080	2.3756	2.3756	1.4682	2.4884	2.8732	4.1517	4.5524	3.7281	4.1517	3.6080	4.5524	5.4503	5.2488	5.8379	5.5311	6.1171	5.8379	4.8752	4.6489	5.5311	6.1887	6.7582
C20	5.8379	4.8752	4.6489	5.5311	6.1887	6.7582	6.7582	6.1887	5.5311	4.6489	3.6080	3.6080	2.4884	2.8732	4.1517	4.5524	3.7281	2.4884	1.4682		1.4050	2.4884	2.8732	4.1517	4.8752	5.8379	6.1171	6.7175	7.0116	7.1636	7.0245	6.7175	6.5622	5.8379	5.5311	4.5524	3.7281	2.4884	1.4682	2.3756	2.3756	3.6080	4.1517	5.2488	5.4503	4.5524	4.5524	3.6080	4.1517	5.2488	5.4503	6.1887	6.1887	6.7175	6.5622	5.8379	5.5311	6.1171	6.7175	7.0116
C21	5.2488	4.1517	3.6080	4.5524	5.4503	6.1887	6.1887	5.4503	4.5524	3.6080	2.3756	2.3756	1.4682	2.4884	3.7281	4.5524	4.1517	2.8732	2.4884	1.4050		1.4682	2.4884	3.7281	4.1517	5.2488	5.8379	6.5622	6.7175	7.0245	7.1636	7.0116	6.7175	6.1171	5.5311	4.5524	4.1517	2.8732	2.4884	3.6080	3.6080	4.6489	4.8752	5.8379	6.1887	5.5311	5.5311	4.6489	4.8752	5.8379	6.1887	6.7582	6.7582	7.0116	6.7175	6.1171	5.5311	5.8379	6.5622	6.7175
C22	5.4503	4.5524	3.6080	4.1517	5.2488	5.8379	5.5311	4.5524	3.7281	2.4884	1.4682	2.3756	2.3756	3.6080	4.5524	5.4503	5.2488	4.1517	3.7281	2.4884	1.4682		1.4050	2.4884	2.8732	4.1517	4.8752	5.8379	6.1171	6.7175	7.0116	6.7582	6.1887	5.5311	4.6489	3.6080	3.6080	2.4884	2.8732	4.1517	4.5524	5.5311	5.8379	6.5622	6.7175	6.1171	5.8379	4.8752	4.6489	5.5311	6.1887	6.7582	7.0116	7.1636	7.0245	6.7175	6.1887	6.1887	6.7175	6.5622
C23	6.1887	5.5311	4.6489	4.8752	5.8379	6.1171	5.5311	4.5524	4.1517	2.8732	2.4884	3.6080	3.6080	4.6489	5.5311	6.1887	5.8379	4.8752	4.1517	2.8732	2.4884	1.4050		1.4682	2.4884	3.7281	4.1517	5.2488	5.8379	6.5622	6.7175	6.1887	5.4503	4.5524	3.6080	2.3756	2.3756	1.4682	2.4884	3.7281	4.5524	5.5311	6.1171	6.7175	6.5622	5.8379	5.2488	4.1517	3.6080	4.5524	5.4503	6.1887	6.7175	7.0245	7.1636	7.0115	6.7582	6.7582	7.0116	6.7175
C24	6.1887	5.8379	4.8752	4.6489	5.5311	5.5311	4.6489	3.6080	3.6080	2.4884	2.8732	4.1517	4.5524	5.5311	6.1171	6.7175	6.5622	5.8379	5.2488	4.1517	3.7281	2.4884	1.4682		1.4050	2.4884	2.8732	4.1517	4.8752	5.8379	6.1171	5.5311	4.5524	3.7281	2.4884	1.4682	2.3756	2.3756	3.6080	4.5524	5.4503	6.1887	6.7175	7.0245	6.7175	6.1887	5.4503	4.5524	3.6080	4.1517	5.2488	5.8379	6.5622	6.7175	7.0115	7.1636	7.0116	6.7582	6.7582	6.1887
C25	5.4503	5.2488	4.1517	3.6080	4.5524	4.5524	3.6080	2.3756	2.3756	1.4682	2.4884	3.7281	4.5524	5.5311	5.8379	6.5622	6.7175	6.1171	5.8379	4.8752	4.1517	2.8732	2.4884	1.4050		1.4682	2.4884	3.7281	4.1517	5.2488	5.8379	5.5311	4.5524	4.1517	2.8732	2.4884	3.6080	3.6080	4.6489	5.5311	6.1887	6.7582	7.0116	7.1636	7.0116	6.7582	6.1887	5.5311	4.6489	4.8752	5.8379	6.1171	6.7175	6.5622	6.7175	7.0245	6.7175	6.1887	6.1887	5.4503
C26	5.2488	5.4503	4.5524	3.6080	4.1517	3.7281	2.4884	1.4682	2.3756	2.3756	3.6080	4.5524	5.4503	6.1887	6.1887	6.7175	7.0245	6.7175	6.5622	5.8379	5.2488	4.1517	3.7281	2.4884	1.4682		1.4050	2.4884	2.8732	4.1517	4.8752	4.6489	3.6080	3.6080	2.4884	2.8732	4.1517	4.5524	5.5311	6.1171	6.7175	7.0116	7.1636	7.0116	6.7582	6.7582	6.1887	5.8379	4.8752	4.6489	5.5311	5.5311	6.1887	5.8379	6.1171	6.7175	6.5622	5.8379	5.5311	4.5524
C27	5.8379	6.1887	5.5311	4.6489	4.8752	4.1517	2.8732	2.4884	3.6080	3.6080	4.6489	5.5311	6.1887	6.7582	6.7582	7.0116	7.1636	7.0116	6.7175	6.1171	5.8379	4.8752	4.1517	2.8732	2.4884	1.4050		1.4682	2.4884	3.7281	4.1517	3.6080	2.3756	2.3756	1.4682	2.4884	3.7281	4.5524	5.5311	5.8379	6.5622	6.7175	7.0245	6.7175	6.1887	6.1887	5.4503	5.2488	4.1517	3.6080	4.5524	4.5524	5.4503	5.2488	5.8379	6.5622	6.7175	6.1171	5.5311	4.5524
C28	5.5311	6.1887	5.8379	4.8752	4.6489	3.6080	2.4884	2.8732	4.1517	4.5524	5.5311	6.1171	6.7175	7.0116	6.7582	6.7582	7.0116	7.1636	7.0245	6.7175	6.5622	5.8379	5.2488	4.1517	3.7281	2.4884	1.4682		1.4050	2.4884	2.8732	2.4884	1.4682	2.3756	2.3756	3.6080	4.5524	5.4503	6.1887	6.1887	6.7175	6.5622	6.7175	6.1171	5.5311	5.8379	5.2488	5.4503	4.5524	3.6080	4.1517	3.7281	4.5524	4.1517	4.8752	5.8379	6.1887	5.5311	4.6489	3.6080
C29	4.5524	5.4503	5.2488	4.1517	3.6080	2.3756	1.4682	2.4884	3.7281	4.5524	5.5311	5.8379	6.5622	6.7175	6.1887	6.1887	6.7175	7.0245	7.1636	7.0116	6.7175	6.1171	5.8379	4.8752	4.1517	2.8732	2.4884	1.4050		1.4682	2.4884	2.8732	2.4884	3.6080	3.6080	4.6489	5.5311	6.1887	6.7582	6.7582	7.0116	6.7175	6.5622	5.8379	5.5311	6.1171	5.8379	6.1887	5.5311	4.6489	4.8752	4.1517	4.5524	3.7281	4.1517	5.2488	5.4503	4.5524	3.6080	2.3756
C30	4.1517	5.2488	5.4503	4.5524	3.6080	2.3756	2.3756	3.6080	4.5524	5.4503	6.1887	6.1887	6.7175	6.5622	5.8379	5.5311	6.1171	6.7175	7.0116	7.1636	7.0245	6.7175	6.5622	5.8379	5.2488	4.1517	3.7281	2.4884	1.4682		1.4050	2.4884	2.8732	4.1517	4.5524	5.5311	6.1171	6.7175	7.0116	6.7582	6.7582	6.1887	5.8379	4.8752	4.6489	5.5311	5.5311	6.1887	5.8379	4.8752	4.6489	3.6080	3.6080	2.4884	2.8732	4.1517	4.5524	3.7281	2.4884	1.4682
C31	4.8752	5.8379	6.1887	5.5311	4.6489	3.6080	3.6080	4.6489	5.5311	6.1887	6.7582	6.7582	7.0116	6.7175	6.1171	5.5311	5.8379	6.5622	6.7175	7.0245	7.1636	7.0116	6.7175	6.1171	5.8379	4.8752	4.1517	2.8732	2.4884	1.4050		1.4682	2.4884	3.7281	4.5524	5.5311	5.8379	6.5622	6.7175	6.1887	6.1887	5.4503	5.2488	4.1517	3.6080	4.5524	4.5524	5.4503	5.2488	4.1517	3.6080	2.3756	2.3756	1.4682	2.4884	3.7281	4.5524	4.1517	2.8732	2.4884
C32	5.8379	6.5622	6.7175	6.1171	5.5311	4.5524	4.1517	4.8752	5.8379	6.1887	6.7582	7.0116	7.1636	7.0245	6.7175	6.1887	6.1887	6.7175	6.5622	6.7175	7.0116	6.7582	6.1887	5.5311	5.5311	4.6489	3.6080	2.4884	2.8732	2.4884	1.4682		1.4050	2.4884	3.6080	4.6489	4.8752	5.8379	6.1171	5.5311	5.8379	5.2488	5.4503	4.5524	3.6080	4.1517	3.7281	4.5524	4.1517	2.8732	2.4884	1.4682	2.3756	2.3756	3.6080	4.5524	5.4503	5.2488	4.1517	3.7281
C33	6.1171	6.7175	6.5622	5.8379	5.5311	4.5524	3.7281	4.1517	5.2488	5.4503	6.1887	6.7175	7.0245	7.1636	7.0115	6.7582	6.7582	7.0116	6.7175	6.5622	6.7175	6.1887	5.4503	4.5524	4.5524	3.6080	2.3756	1.4682	2.4884	2.8732	2.4884	1.4050		1.4682	2.3756	3.6080	4.1517	5.2488	5.8379	5.5311	6.1171	5.8379	6.1887	5.5311	4.6489	4.8752	4.1517	4.5524	3.7281	2.4884	2.8732	2.4884	3.6080	3.6080	4.6489	5.5311	6.1887	5.8379	4.8752	4.1517
C34	6.7175	7.0245	6.7175	6.1887	6.1887	5.4503	4.5524	4.5524	5.4503	5.2488	5.8379	6.5622	6.7175	7.0115	7.1636	7.0115	6.7582	6.7582	6.1887	5.8379	6.1171	5.5311	4.5524	3.7281	4.1517	3.6080	2.3756	2.3756	3.6080	4.1517	3.7281	2.4884	1.4682		1.4682	2.4884	2.8732	4.1517	4.8752	4.6489	5.5311	5.5311	6.1887	5.8379	4.8752	4.6489	3.6080	3.6080	2.4884	1.4050	2.4884	2.8732	4.1517	4.5524	5.5311	6.1171	6.7175	6.5622	5.8379	5.2488
C35	6.5622	6.7175	6.1171	5.5311	5.8379	5.2488	4.1517	3.7281	4.5524	4.1517	4.8752	5.8379	6.1887	6.7582	7.0115	7.1636	7.0116	6.7582	6.1887	5.5311	5.5311	4.6489	3.6080	2.4884	2.8732	2.4884	1.4682	2.3756	3.6080	4.5524	4.5524	3.6080	2.3756	1.4682		1.4050	2.4884	3.6080	4.6489	4.8752	5.8379	6.1171	6.7175	6.5622	5.8379	5.5311	4.5524	4.1517	2.8732	2.4884	3.7281	4.1517	5.2488	5.4503	6.1887	6.7175	7.0245	6.7175	6.1887	5.4503
C36	6.7175	6.5622	5.8379	5.5311	6.1171	5.8379	4.8752	4.1517	4.5524	3.7281	4.1517	5.2488	5.4503	6.1887	6.7175	7.0245	6.7175	6.1887	5.4503	4.5524	4.5524	3.6080	2.3756	1.4682	2.4884	2.8732	2.4884	3.6080	4.6489	5.5311	5.5311	4.6489	3.6080	2.4884	1.4050		1.4682	2.3756	3.6080	4.1517	5.2488	5.8379	6.5622	6.7175	6.1171	5.5311	4.5524	3.7281	2.4884	2.8732	4.1517	4.8752	5.8379	6.1887	6.7582	7.0116	7.1636	7.0115	6.7582	6.1887
C37	7.0245	6.7175	6.1887	6.1887	6.7175	6.5622	5.8379	5.2488	5.4503	4.5524	4.5524	5.4503	5.2488	5.8379	6.5622	6.7175	6.1171	5.5311	4.5524	3.7281	4.1517	3.6080	2.3756	2.3756	3.6080	4.1517	3.7281	4.5524	5.5311	6.1171	5.8379	4.8752	4.1517	2.8732	2.4884	1.4682		1.4682	2.4884	2.8732	4.1517	4.8752	5.8379	6.1887	5.5311	4.6489	3.6080	2.4884	1.4050	2.4884	3.6080	4.6489	5.5311	6.1887	6.7582	6.7582	7.0115	7.1636	7.0115	6.7175
C38	6.7175	6.1171	5.5311	5.8379	6.5622	6.7175	6.1887	5.4503	5.2488	4.1517	3.7281	4.5524	4.1517	4.8752	5.8379	6.1887	5.5311	4.6489	3.6080	2.4884	2.8732	2.4884	1.4682	2.3756	3.6080	4.5524	4.5524	5.4503	6.1887	6.7175	6.5622	5.8379	5.2488	4.1517	3.6080	2.3756	1.4682		1.4050	2.4884	3.6080	4.6489	5.5311	6.1887	5.8379	4.8752	4.1517	2.8732	2.4884	3.7281	4.5524	5.5311	6.1171	6.7175	7.0116	6.7582	6.7582	7.0115	7.1636	7.0245
C39	6.5622	5.8379	5.5311	6.1171	6.7175	7.0115	6.7582	6.1887	5.8379	4.8752	4.1517	4.5524	3.7281	4.1517	5.2488	5.4503	4.5524	3.6080	2.3756	1.4682	2.4884	2.8732	2.4884	3.6080	4.6489	5.5311	5.5311	6.1887	6.7582	7.0116	6.7175	6.1171	5.8379	4.8752	4.6489	3.6080	2.4884	1.4050		1.4682	2.3756	3.6080	4.5524	5.4503	5.2488	4.1517	3.7281	2.4884	2.8732	4.1517	4.5524	5.5311	5.8379	6.5622	6.7175	6.1887	6.1887	6.7175	7.0245	7.1636
C40	6.7175	6.1887	6.1887	6.7175	7.0245	7.1636	7.0115	6.7175	6.5622	5.8379	5.2488	5.4503	4.5524	4.5524	5.4503	5.2488	4.1517	3.6080	2.3756	2.3756	3.6080	4.1517	3.7281	4.5524	5.5311	6.1171	5.8379	6.1887	6.7582	6.7582	6.1887	5.5311	5.5311	4.6489	4.8752	4.1517	2.8732	2.4884	1.4682		1.4682	2.4884	3.7281	4.5524	4.1517	2.8732	2.4884	1.4050	2.4884	3.6080	3.6080	4.6489	4.8752	5.8379	6.1171	5.5311	5.8379	6.5622	6.7175	7.0115
C41	6.1171	5.5311	5.8379	6.5622	6.7175	7.0115	7.1636	7.0245	6.7175	6.1887	5.4503	5.2488	4.1517	3.7281	4.5524	4.1517	2.8732	2.4884	1.4682	2.3756	3.6080	4.5524	4.5524	5.4503	6.1887	6.7175	6.5622	6.7175	7.0116	6.7582	6.1887	5.8379	6.1171	5.5311	5.8379	5.2488	4.1517	3.6080	2.3756	1.4682		1.4050	2.4884	3.6080	3.6080	2.4884	2.8732	2.4884	3.7281	4.5524	4.1517	4.8752	4.6489	5.5311	5.5311	4.6489	4.8752	5.8379	6.1887	6.7582
C42	5.8379	5.5311	6.1171	6.7175	6.5622	6.7175	7.0245	7.1636	7.0116	6.7582	6.1887	5.8379	4.8752	4.1517	4.5524	3.7281	2.4884	2.8732	2.4884	3.6080	4.6489	5.5311	5.5311	6.1887	6.7582	7.0116	6.7175	6.5622	6.7175	6.1887	5.4503	5.2488	5.8379	5.5311	6.1171	5.8379	4.8752	4.6489	3.6080	2.4884	1.4050		1.4682	2.3756	2.3756	1.4682	2.4884	2.8732	4.1517	4.5524	3.7281	4.1517	3.6080	4.5524	4.5524	3.6080	4.1517	5.2488	5.4503	6.1887
C43	4.8752	4.6489	5.5311	6.1887	5.8379	6.1171	6.7175	7.0116	6.7582	6.7582	6.1887	5.5311	4.6489	3.6080	3.6080	2.4884	1.4050	2.4884	2.8732	4.1517	4.8752	5.8379	6.1171	6.7175	7.0116	7.1636	7.0245	6.7175	6.5622	5.8379	5.2488	5.4503	6.1887	6.1887	6.7175	6.5622	5.8379	5.5311	4.5524	3.7281	2.4884	1.4682		1.4682	2.3756	2.3756	3.6080	4.1517	5.2488	5.4503	4.5524	4.5524	3.6080	4.1517	3.7281	2.4884	2.8732	4.1517	4.5524	5.5311
C44	4.6489	4.8752	5.8379	6.1887	5.5311	5.5311	6.1887	6.7582	6.7582	7.0116	6.7175	6.1171	5.5311	4.5524	4.1517	2.8732	2.4884	3.7281	4.1517	5.2488	5.8379	6.5622	6.7175	7.0245	7.1636	7.0116	6.7175	6.1171	5.8379	4.8752	4.1517	4.5524	5.5311	5.8379	6.5622	6.7175	6.1887	6.1887	5.4503	4.5524	3.6080	2.3756	1.4682		1.4682	2.3756	3.6080	4.5524	5.4503	5.2488	4.1517	3.7281	2.4884	2.8732	2.4884	1.4050	2.4884	3.6080	3.6080	4.6489
C45	5.5311	5.8379	6.5622	6.7175	6.1171	5.8379	6.1887	6.7582	7.0116	7.1636	7.0245	6.7175	6.1887	5.4503	5.2488	4.1517	3.6080	4.5524	4.5524	5.4503	6.1887	6.7175	6.5622	6.7175	7.0116	6.7582	6.1887	5.5311	5.5311	4.6489	3.6080	3.6080	4.6489	4.8752	5.8379	6.1171	5.5311	5.8379	5.2488	4.1517	3.6080	2.3756	2.3756	1.4682		1.4682	2.4884	3.7281	4.5524	4.1517	2.8732	2.4884	1.4050	2.4884	2.8732	2.4884	3.7281	4.5524	4.1517	4.8752
C46	6.1887	6.1887	6.7175	7.0245	6.7175	6.5622	6.7175	7.0116	7.1636	7.0116	6.7175	6.5622	5.8379	5.2488	5.4503	4.5524	3.6080	4.1517	3.7281	4.5524	5.5311	6.1171	5.8379	6.1887	6.7582	6.7582	6.1887	5.8379	6.1171	5.5311	4.5524	4.1517	4.8752	4.6489	5.5311	5.5311	4.6489	4.8752	4.1517	2.8732	2.4884	1.4682	2.3756	2.3756	1.4682		1.4050	2.4884	3.6080	3.6080	2.4884	2.8732	2.4884	3.7281	4.1517	3.6080	4.5524	5.4503	5.2488	5.8379
C47	6.7582	6.7582	7.0116	7.1636	7.0116	6.7175	6.5622	6.7175	7.0245	6.7175	6.5622	6.7175	6.1171	5.8379	6.1887	5.5311	4.6489	4.8752	4.1517	4.5524	5.5311	5.8379	5.2488	5.4503	6.1887	6.1887	5.4503	5.2488	5.8379	5.5311	4.5524	3.7281	4.1517	3.6080	4.5524	4.5524	3.6080	4.1517	3.7281	2.4884	2.8732	2.4884	3.6080	3.6080	2.4884	1.4050		1.4682	2.3756	2.3756	1.4682	2.4884	2.8732	4.1517	4.8752	4.6489	5.5311	6.1887	5.8379	6.1171
C48	7.0116	6.7582	6.7582	7.0116	7.1636	7.0245	6.7175	6.5622	6.7175	6.1171	5.8379	6.1887	5.5311	5.5311	6.1887	5.8379	4.8752	4.6489	3.6080	3.6080	4.6489	4.8752	4.1517	4.5524	5.5311	5.8379	5.2488	5.4503	6.1887	6.1887	5.4503	4.5524	4.5524	3.6080	4.1517	3.7281	2.4884	2.8732	2.4884	1.4050	2.4884	2.8732	4.1517	4.5524	3.7281	2.4884	1.4682		1.4682	2.3756	2.3756	3.6080	4.1517	5.2488	5.8379	5.5311	6.1171	6.7175	6.5622	6.7175
C49	7.1636	7.0116	6.7582	6.7582	7.0116	6.7175	6.1171	5.8379	6.1887	5.5311	5.5311	6.1887	5.8379	6.1171	6.7175	6.5622	5.8379	5.5311	4.5524	4.1517	4.8752	4.6489	3.6080	3.6080	4.6489	4.8752	4.1517	4.5524	5.5311	5.8379	5.2488	4.1517	3.7281	2.4884	2.8732	2.4884	1.4050	2.4884	2.8732	2.4884	3.7281	4.1517	5.2488	5.4503	4.5524	3.6080	2.3756	1.4682		1.4682	2.3756	3.6080	4.5524	5.4503	6.1887	6.1887	6.7175	7.0245	6.7175	6.5622
C50	7.0116	7.1636	7.0116	6.7582	6.7582	6.1887	5.5311	5.5311	6.1887	5.8379	6.1171	6.7175	6.5622	6.7175	7.0245	6.7175	6.1887	6.1887	5.4503	5.2488	5.8379	5.5311	4.5524	4.1517	4.8752	4.6489	3.6080	3.6080	4.6489	4.8752	4.1517	2.8732	2.4884	1.4050	2.4884	2.8732	2.4884	3.7281	4.1517	3.6080	4.5524	4.5524	5.4503	5.2488	4.1517	3.6080	2.3756	2.3756	1.4682		1.4682	2.4884	3.7281	4.5524	5.5311	5.8379	6.5622	6.7175	6.1171	5.8379
C51	6.7582	7.0116	7.1636	7.0116	6.7582	6.1887	5.8379	6.1171	6.7175	6.5622	6.7175	7.0245	6.7175	6.5622	6.7175	6.1171	5.5311	5.8379	5.2488	5.4503	6.1887	6.1887	5.4503	5.2488	5.8379	5.5311	4.5524	4.1517	4.8752	4.6489	3.6080	2.4884	2.8732	2.4884	3.7281	4.1517	3.6080	4.5524	4.5524	3.6080	4.1517	3.7281	4.5524	4.1517	2.8732	2.4884	1.4682	2.3756	2.3756	1.4682		1.4050	2.4884	3.6080	4.6489	4.8752	5.8379	6.1887	5.5311	5.5311
C52	6.1887	6.7175	7.0245	6.7175	6.1887	5.4503	5.2488	5.8379	6.5622	6.7175	7.0116	7.1636	7.0116	6.7175	6.5622	5.8379	5.5311	6.1171	5.8379	6.1887	6.7582	6.7582	6.1887	5.8379	6.1171	5.5311	4.5524	3.7281	4.1517	3.6080	2.3756	1.4682	2.4884	2.8732	4.1517	4.8752	4.6489	5.5311	5.5311	4.6489	4.8752	4.1517	4.5524	3.7281	2.4884	2.8732	2.4884	3.6080	3.6080	2.4884	1.4050		1.4682	2.3756	3.6080	4.1517	5.2488	5.4503	4.5524	4.5524
C53	5.5311	6.1171	6.7175	6.5622	5.8379	5.2488	5.4503	6.1887	6.7175	7.0245	7.1636	7.0116	6.7582	6.1887	5.8379	4.8752	4.6489	5.5311	5.5311	6.1887	6.7582	7.0116	6.7175	6.5622	6.7175	6.1887	5.4503	4.5524	4.5524	3.6080	2.3756	2.3756	3.6080	4.1517	5.2488	5.8379	5.5311	6.1171	5.8379	4.8752	4.6489	3.6080	3.6080	2.4884	1.4050	2.4884	2.8732	4.1517	4.5524	3.7281	2.4884	1.4682		1.4682	2.4884	2.8732	4.1517	4.5524	3.7281	4.1517
C54	4.6489	5.5311	6.1887	5.8379	4.8752	4.1517	4.5524	5.5311	6.1171	6.7175	7.0116	6.7582	6.7582	6.1887	5.5311	4.6489	4.8752	5.8379	6.1171	6.7175	7.0116	7.1636	7.0245	6.7175	6.5622	5.8379	5.2488	4.1517	3.7281	2.4884	1.4682	2.3756	3.6080	4.5524	5.4503	6.1887	6.1887	6.7175	6.5622	5.8379	5.5311	4.5524	4.1517	2.8732	2.4884	3.7281	4.1517	5.2488	5.4503	4.5524	3.6080	2.3756	1.4682		1.4050	2.4884	3.6080	3.6080	2.4884	2.8732
C55	3.6080	4.5524	5.4503	5.2488	4.1517	3.7281	4.5524	5.5311	5.8379	6.5622	6.7175	6.1887	6.1887	5.4503	4.5524	3.6080	4.1517	5.2488	5.8379	6.5622	6.7175	7.0245	7.1636	7.0115	6.7175	6.1171	5.8379	4.8752	4.1517	2.8732	2.4884	3.6080	4.6489	5.5311	6.1887	6.7582	6.7582	7.0116	6.7175	6.1171	5.5311	4.5524	3.7281	2.4884	2.8732	4.1517	4.8752	5.8379	6.1887	5.5311	4.6489	3.6080	2.4884	1.4050		1.4682	2.3756	2.3756	1.4682	2.4884
C56	3.6080	4.1517	5.2488	5.4503	4.5524	4.5524	5.4503	6.1887	6.1887	6.7175	6.5622	5.8379	5.5311	4.5524	3.7281	2.4884	2.8732	4.1517	4.8752	5.8379	6.1171	6.7175	7.0115	7.1636	7.0245	6.7175	6.5622	5.8379	5.2488	4.1517	3.7281	4.5524	5.5311	6.1171	6.7175	7.0116	6.7582	6.7582	6.1887	5.5311	4.6489	3.6080	2.4884	1.4050	2.4884	3.6080	4.6489	5.5311	6.1887	5.8379	4.8752	4.1517	2.8732	2.4884	1.4682		1.4682	2.3756	2.3756	3.6080
C57	2.4884	2.8732	4.1517	4.5524	3.7281	4.1517	5.2488	5.8379	5.5311	6.1171	5.8379	4.8752	4.6489	3.6080	2.4884	1.4050	2.4884	3.6080	4.6489	5.5311	5.5311	6.1887	6.7582	7.0116	6.7175	6.5622	6.7175	6.1887	5.4503	4.5524	4.5524	5.4503	6.1887	6.7175	7.0245	7.1636	7.0115	6.7582	6.1887	5.8379	4.8752	4.1517	2.8732	2.4884	3.7281	4.5524	5.5311	6.1171	6.7175	6.5622	5.8379	5.2488	4.1517	3.6080	2.3756	1.4682		1.4682	2.3756	3.6080
C58	1.4050	2.4884	3.6080	3.6080	2.4884	2.8732	4.1517	4.8752	4.6489	5.5311	5.5311	4.6489	4.8752	4.1517	2.8732	2.4884	3.7281	4.5524	5.5311	6.1171	5.8379	6.1887	6.7582	6.7582	6.1887	5.8379	6.1171	5.5311	4.5524	3.7281	4.1517	5.2488	5.8379	6.5622	6.7175	7.0115	7.1636	7.0115	6.7175	6.5622	5.8379	5.2488	4.1517	3.6080	4.5524	5.4503	6.1887	6.7175	7.0245	6.7175	6.1887	5.4503	4.5524	3.6080	2.3756	2.3756	1.4682		1.4682	2.4884
C59	2.4884	3.7281	4.5524	4.1517	2.8732	2.4884	3.6080	4.6489	4.8752	5.8379	6.1171	5.5311	5.8379	5.2488	4.1517	3.6080	4.5524	5.4503	6.1887	6.7175	6.5622	6.7175	7.0116	6.7582	6.1887	5.5311	5.5311	4.6489	3.6080	2.4884	2.8732	4.1517	4.8752	5.8379	6.1887	6.7582	7.0115	7.1636	7.0245	6.7175	6.1887	5.4503	4.5524	3.6080	4.1517	5.2488	5.8379	6.5622	6.7175	6.1171	5.5311	4.5524	3.7281	2.4884	1.4682	2.3756	2.3756	1.4682		1.4050
C60	2.8732	4.1517	4.5524	3.7281	2.4884	1.4682	2.3756	3.6080	4.1517	5.2488	5.8379	5.5311	6.1171	5.8379	4.8752	4.6489	5.5311	6.1887	6.7582	7.0116	6.7175	6.5622	6.7175	6.1887	5.4503	4.5524	4.5524	3.6080	2.3756	1.4682	2.4884	3.7281	4.1517	5.2488	5.4503	6.1887	6.7175	7.0245	7.1636	7.0115	6.7582	6.1887	5.5311	4.6489	4.8752	5.8379	6.1171	6.7175	6.5622	5.8379	5.5311	4.5524	4.1517	2.8732	2.4884	3.6080	3.6080	2.4884	1.4050

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 mPW1PW91/STO-3G 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 -301.791 0.000 0.000 y 0.000 -301.791 0.000 z 0.000 0.000 -301.791

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	51.139	0.000	0.000
y	0.000	51.139	0.000
z	0.000	0.000	51.139

<r²> (average value of r²) Ų

<r2>	4807.068
(<r2>)1/2	69.333