All results from a given calculation for C₆₀ (Buckminsterfullerene)

Energy calculated at mPW1PW91/6-31G(2df,p)

	hartrees
Energy at 0K	-2285.904440
Energy at 298.15K	-2285.903685
HF Energy	-2285.904440
Nuclear repulsion energy	8370.027033

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 mPW1PW91/6-31G(2df,p)

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	1538	1468	0.00
2	Ag	504	482	0.00
3	Au	972	928	0.00
4	T1g	1318	1258	0.00
4	T1g	1318	1258	0.00
4	T1g	1318	1258	0.00
5	T1g	847	809	0.00
5	T1g	847	809	0.00
5	T1g	847	809	0.00
6	T1g	583	556	0.00
6	T1g	583	556	0.00
6	T1g	583	556	0.00
7	T1u	1492	1424	11.72
7	T1u	1492	1424	11.72
7	T1u	1492	1424	11.72
8	T1u	1234	1178	9.02
8	T1u	1234	1178	9.02
8	T1u	1234	1178	9.02
9	T1u	598	571	12.38
9	T1u	598	571	12.37
9	T1u	598	571	12.38
10	T1u	546	521	28.92
10	T1u	546	521	28.92
10	T1u	546	521	28.92
11	T2g	1390	1327	0.00
11	T2g	1390	1327	0.00
11	T2g	1390	1327	0.00
12	T2g	809	773	0.00
12	T2g	809	773	0.00
12	T2g	809	773	0.00
13	T2g	765	730	0.00
13	T2g	765	730	0.00
13	T2g	765	730	0.00
14	T2g	567	541	0.00
14	T2g	567	541	0.00
14	T2g	567	541	0.00
15	T2u	1587	1515	0.00
15	T2u	1587	1515	0.00
15	T2u	1587	1515	0.00
16	T2u	1224	1168	0.00
16	T2u	1224	1168	0.00
16	T2u	1224	1168	0.00
17	T2u	994	949	0.00
17	T2u	994	949	0.00
17	T2u	994	949	0.00
18	T2u	735	702	0.00
18	T2u	735	702	0.00
81	T2u	735	702	0.00
19	T2u	347	332	0.00
19	T2u	347	332	0.00
19	T2u	347	332	0.00
20	Gg	1558	1487	0.00
20	Gg	1558	1487	0.00
20	Gg	1558	1487	0.00
20	Gg	1558	1487	0.00
21	Gg	1346	1285	0.00
21	Gg	1346	1285	0.00
21	Gg	1346	1285	0.00
21	Gg	1346	1285	0.00
22	Gg	1115	1064	0.00
22	Gg	1115	1064	0.00
22	Gg	1115	1064	0.00
22	Gg	1115	1064	0.00
23	Gg	777	742	0.00
23	Gg	777	742	0.00
23	Gg	777	742	0.00
23	Gg	777	742	0.00
24	Gg	580	554	0.00
24	Gg	580	554	0.00
24	Gg	580	554	0.00
24	Gg	580	554	0.00
25	Gg	497	475	0.00
25	Gg	497	475	0.00
25	Gg	497	475	0.00
25	Gg	497	475	0.00
26	Gu	1486	1419	0.00
26	Gu	1486	1419	0.00
26	Gu	1486	1419	0.00
26	Gu	1486	1419	0.00
27	Gu	1355	1294	0.00
27	Gu	1355	1294	0.00
27	Gu	1355	1294	0.00
27	Gu	1355	1294	0.00
28	Gu	996	951	0.00
28	Gu	996	951	0.00
28	Gu	996	951	0.00
28	Gu	996	951	0.00
29	Gu	786	751	0.00
29	Gu	786	751	0.00
29	Gu	786	751	0.00
29	Gu	786	751	0.00
30	Gu	764	730	0.00
30	Gu	764	730	0.00
30	Gu	764	730	0.00
30	Gu	764	730	0.00
31	Gu	361	345	0.00
31	Gu	361	345	0.00
31	Gu	361	345	0.00
31	Gu	361	345	0.00
32	Hg	1636	1561	0.00
32	Hg	1636	1561	0.00
32	Hg	1636	1561	0.00
32	Hg	1636	1561	0.00
32	Hg	1636	1561	0.00
33	Hg	1482	1415	0.00
33	Hg	1482	1415	0.00
33	Hg	1482	1415	0.00
33	Hg	1482	1415	0.00
33	Hg	1482	1415	0.00
34	Hg	1300	1241	0.00
34	Hg	1300	1241	0.00
34	Hg	1300	1241	0.00
34	Hg	1300	1241	0.00
34	Hg	1300	1241	0.00
35	Hg	1140	1088	0.00
35	Hg	1140	1088	0.00
35	Hg	1140	1088	0.00
35	Hg	1140	1088	0.00
35	Hg	1140	1088	0.00
36	Hg	799	763	0.00
36	Hg	799	763	0.00
36	Hg	799	763	0.00
36	Hg	799	763	0.00
36	Hg	799	763	0.00
37	Hg	732	698	0.00
37	Hg	732	698	0.00
37	Hg	732	698	0.00
37	Hg	732	698	0.00
37	Hg	732	698	0.00
38	Hg	443	423	0.00
38	Hg	443	423	0.00
38	Hg	443	423	0.00
38	Hg	443	423	0.00
38	Hg	443	423	0.00
39	Hg	268	256	0.00
39	Hg	268	256	0.00
39	Hg	268	256	0.00
39	Hg	268	256	0.00
39	Hg	268	256	0.00
40	Hu	1626	1553	0.00
40	Hu	1626	1553	0.00
40	Hu	1626	1553	0.00
40	Hu	1626	1553	0.00
40	Hu	1626	1553	0.00
41	Hu	1388	1325	0.00
41	Hu	1388	1325	0.00
41	Hu	1388	1325	0.00
41	Hu	1388	1325	0.00
41	Hu	1388	1325	0.00
42	Hu	1259	1202	0.00
42	Hu	1259	1202	0.00
42	Hu	1259	1202	0.00
42	Hu	1259	1202	0.00
42	Hu	1259	1202	0.00
43	Hu	759	725	0.00
43	Hu	759	725	0.00
43	Hu	759	725	0.00
43	Hu	759	725	0.00
43	Hu	759	725	0.00
44	Hu	683	652	0.00
44	Hu	683	652	0.00
44	Hu	683	652	0.00
44	Hu	683	652	0.00
44	Hu	683	652	0.00
45	Hu	550	525	0.00
45	Hu	550	525	0.00
45	Hu	550	525	0.00
45	Hu	550	525	0.00
45	Hu	550	525	0.00
46	Hu	412	393	0.00
46	Hu	412	393	0.00
46	Hu	412	393	0.00
46	Hu	412	393	0.00
46	Hu	412	393	0.00

Unscaled Zero Point Vibrational Energy (zpe) 83492.6 cm^-1
Scaled (by 0.9547) Zero Point Vibrational Energy (zpe) 79710.3 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 mPW1PW91/6-31G(2df,p)

A	B	C
0.00282	0.00282	0.00282

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

Geometric Data calculated at mPW1PW91/6-31G(2df,p)

Point Group is I_h

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.230	3.310
C2	-1.170	0.380	3.310
C3	-0.723	-0.995	3.310
C4	0.723	-0.995	3.310
C5	1.170	0.380	3.310
C6	2.293	0.745	2.581
C7	3.016	-0.250	1.820
C8	2.587	-1.570	1.820
C9	1.417	-1.950	2.581
C10	0.694	-2.946	1.820
C11	-0.694	-2.946	1.820
C12	-1.417	-1.950	2.581
C13	-2.587	-1.570	1.820
C14	-3.016	-0.250	1.820
C15	-2.293	0.745	2.581
C16	-2.293	1.975	1.820
C17	-3.016	1.740	0.590
C18	-3.463	0.365	0.590
C19	-3.463	-0.365	-0.590
C20	-3.016	-1.740	-0.590
C21	-2.587	-2.331	0.590
C22	-1.417	-3.181	0.590
C23	-0.723	-3.406	-0.590
C24	0.723	-3.406	-0.590
C25	1.417	-3.181	0.590
C26	2.587	-2.331	0.590
C27	3.016	-1.740	-0.590
C28	3.463	-0.365	-0.590
C29	3.463	0.365	0.590
C30	3.016	1.740	0.590
C31	2.587	2.331	-0.590
C32	2.587	1.570	-1.820
C33	3.016	0.250	-1.820
C34	2.293	-0.745	-2.581
C35	2.293	-1.975	-1.820
C36	1.170	-2.791	-1.820
C37	0.000	-2.411	-2.581
C38	-1.170	-2.791	-1.820
C39	-2.293	-1.975	-1.820
C40	-2.293	-0.745	-2.581
C41	-3.016	0.250	-1.820
C42	-2.587	1.570	-1.820
C43	-2.587	2.331	-0.590
C44	-1.417	3.181	-0.590
C45	-0.694	2.946	-1.820
C46	-1.417	1.950	-2.581
C47	-0.723	0.995	-3.310
C48	-1.170	-0.380	-3.310
C49	0.000	-1.230	-3.310
C50	1.170	-0.380	-3.310
C51	0.723	0.995	-3.310
C52	1.417	1.950	-2.581
C53	0.694	2.946	-1.820
C54	1.417	3.181	-0.590
C55	0.723	3.406	0.590
C56	-0.723	3.406	0.590
C57	-1.170	2.791	1.820
C58	0.000	2.411	2.581
C59	1.170	2.791	1.820
C60	2.293	1.975	1.820

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		1.4461	2.3398	2.3398	1.4461	2.4546	3.6752	4.0932	3.5576	4.4876	4.4876	3.5576	4.0932	3.6752	2.4546	2.8341	4.0932	4.4876	5.4544	5.7563	5.1739	5.3722	6.1019	6.1019	5.3722	5.1739	5.7563	5.4544	4.4876	4.0932	4.8083	5.7563	6.0318	6.6230	6.4697	6.6230	6.9255	6.6230	6.4697	6.6230	6.0318	5.7563	4.8083	4.5857	5.4544	6.1019	6.6644	6.9136	7.0632	6.9136	6.6644	6.1019	5.4544	4.5857	3.5576	3.5576	2.4546	1.3880	2.4546	2.8341
C2	1.4461		1.4461	2.3398	2.3398	3.5576	4.4876	4.4876	3.5576	4.0932	3.6752	2.4546	2.8341	2.4546	1.3880	2.4546	3.5576	3.5576	4.5857	4.8083	4.0932	4.4876	5.4544	5.7563	5.1739	5.3722	6.1019	6.1019	5.3722	5.1739	5.7563	6.4697	6.6230	6.9255	6.6230	6.4697	6.6230	6.0318	5.7563	6.1019	5.4544	5.4544	4.5857	4.8083	5.7563	6.1019	6.6644	6.6644	6.9136	7.0632	6.9136	6.6230	6.0318	5.4544	4.4876	4.0932	2.8341	2.4546	3.6752	4.0932
C3	2.3398	1.4461		1.4461	2.3398	3.5576	4.0932	3.6752	2.4546	2.8341	2.4546	1.3880	2.4546	2.8341	2.4546	3.6752	4.4876	4.0932	4.8083	4.5857	3.5576	3.5576	4.5857	4.8083	4.0932	4.4876	5.4544	5.7563	5.1739	5.3722	6.1019	6.6230	6.4697	6.6230	6.0318	5.7563	6.1019	5.4544	5.4544	6.1019	5.7563	6.0318	5.4544	5.7563	6.4697	6.6230	6.9136	6.6644	6.6644	6.9136	7.0632	6.9255	6.6230	6.1019	5.3722	5.1739	4.0932	3.5576	4.4876	4.4876
C4	2.3398	2.3398	1.4461		1.4461	2.4546	2.8341	2.4546	1.3880	2.4546	2.8341	2.4546	3.6752	4.0932	3.5576	4.4876	5.3722	5.1739	5.7563	5.4544	4.4876	4.0932	4.8083	4.5857	3.5576	3.5576	4.5857	4.8083	4.0932	4.4876	5.4544	6.0318	5.7563	6.1019	5.4544	5.4544	6.1019	5.7563	6.0318	6.6230	6.4697	6.6230	6.1019	6.1019	6.6230	6.9255	7.0632	6.9136	6.6644	6.6644	6.9136	6.6230	6.4697	5.7563	5.1739	5.3722	4.4876	3.5576	4.0932	3.6752
C5	1.4461	2.3398	2.3398	1.4461		1.3880	2.4546	2.8341	2.4546	3.6752	4.0932	3.5576	4.4876	4.4876	3.5576	4.0932	5.1739	5.3722	6.1019	6.1019	5.3722	5.1739	5.7563	5.4544	4.4876	4.0932	4.8083	4.5857	3.5576	3.5576	4.5857	5.4544	5.4544	6.1019	5.7563	6.0318	6.6230	6.4697	6.6230	6.9255	6.6230	6.4697	5.7563	5.4544	6.0318	6.6230	6.9136	7.0632	6.9136	6.6644	6.6644	6.1019	5.7563	4.8083	4.0932	4.4876	3.6752	2.4546	2.8341	2.4546
C6	2.4546	3.5576	3.5576	2.4546	1.3880		1.4461	2.4546	2.8341	4.0932	4.8083	4.5857	5.4544	5.4544	4.5857	4.8083	5.7563	6.1019	6.6644	6.6644	6.1019	5.7563	6.0318	5.4544	4.4876	3.6752	4.0932	3.5576	2.3398	2.3398	3.5576	4.4876	4.4876	5.3722	5.1739	5.7563	6.4697	6.6230	6.9136	7.0632	6.9136	6.6230	6.0318	5.4544	5.7563	6.4697	6.6230	6.9255	6.6230	6.1019	6.1019	5.3722	5.1739	4.0932	3.6752	4.4876	4.0932	2.8341	2.4546	1.4461
C7	3.6752	4.4876	4.0932	2.8341	2.4546	1.4461		1.3880	2.4546	3.5576	4.5857	4.8083	5.7563	6.0318	5.4544	5.7563	6.4697	6.6230	6.9136	6.6644	6.1019	5.4544	5.4544	4.5857	3.5576	2.4546	2.8341	2.4546	1.4461	2.3398	3.5576	4.0932	3.6752	4.4876	4.0932	4.8083	5.7563	6.1019	6.6644	6.9136	7.0632	6.9255	6.6230	6.1019	6.1019	6.6230	6.4697	6.6230	6.0318	5.4544	5.7563	5.1739	5.3722	4.4876	4.4876	5.3722	5.1739	4.0932	3.5576	2.3398
C8	4.0932	4.4876	3.6752	2.4546	2.8341	2.4546	1.3880		1.4461	2.3398	3.5576	4.0932	5.1739	5.7563	5.4544	6.0318	6.6230	6.4697	6.6230	6.1019	5.3722	4.4876	4.4876	3.5576	2.3398	1.4461	2.4546	2.8341	2.4546	3.5576	4.5857	4.8083	4.0932	4.4876	3.6752	4.0932	5.1739	5.3722	6.1019	6.6230	6.9255	7.0632	6.9136	6.6644	6.6644	6.9136	6.6230	6.4697	5.7563	5.4544	6.0318	5.7563	6.1019	5.4544	5.4544	6.1019	5.7563	4.8083	4.5857	3.5576
C9	3.5576	3.5576	2.4546	1.3880	2.4546	2.8341	2.4546	1.4461		1.4461	2.4546	2.8341	4.0932	4.8083	4.5857	5.4544	6.1019	5.7563	6.0318	5.4544	4.4876	3.6752	4.0932	3.5576	2.3398	2.3398	3.5576	4.0932	3.6752	4.4876	5.4544	5.7563	5.1739	5.3722	4.4876	4.4876	5.3722	5.1739	5.7563	6.4697	6.6230	6.9136	6.6644	6.6644	6.9136	7.0632	6.9255	6.6230	6.1019	6.1019	6.6230	6.4697	6.6230	6.0318	5.7563	6.1019	5.4544	4.5857	4.8083	4.0932
C10	4.4876	4.0932	2.8341	2.4546	3.6752	4.0932	3.5576	2.3398	1.4461		1.3880	2.4546	3.5576	4.5857	4.8083	5.7563	6.1019	5.4544	5.4544	4.5857	3.5576	2.4546	2.8341	2.4546	1.4461	2.3398	3.5576	4.4876	4.4876	5.3722	6.1019	6.1019	5.3722	5.1739	4.0932	3.6752	4.4876	4.0932	4.8083	5.7563	6.1019	6.6644	6.6644	6.9136	7.0632	6.9136	6.6230	6.0318	5.4544	5.7563	6.4697	6.6230	6.9255	6.6230	6.4697	6.6230	6.0318	5.4544	5.7563	5.1739
C11	4.4876	3.6752	2.4546	2.8341	4.0932	4.8083	4.5857	3.5576	2.4546	1.3880		1.4461	2.3398	3.5576	4.0932	5.1739	5.3722	4.4876	4.4876	3.5576	2.3398	1.4461	2.4546	2.8341	2.4546	3.5576	4.5857	5.4544	5.4544	6.1019	6.6644	6.6644	6.1019	5.7563	4.8083	4.0932	4.4876	3.6752	4.0932	5.1739	5.3722	6.1019	6.1019	6.6230	6.9255	6.6230	6.4697	5.7563	5.4544	6.0318	6.6230	6.9136	7.0632	6.9136	6.6230	6.4697	5.7563	5.4544	6.0318	5.7563
C12	3.5576	2.4546	1.3880	2.4546	3.5576	4.5857	4.8083	4.0932	2.8341	2.4546	1.4461		1.4461	2.4546	2.8341	4.0932	4.4876	3.6752	4.0932	3.5576	2.3398	2.3398	3.5576	4.0932	3.6752	4.4876	5.4544	6.0318	5.7563	6.1019	6.6644	6.9136	6.6230	6.4697	5.7563	5.1739	5.3722	4.4876	4.4876	5.3722	5.1739	5.7563	5.4544	6.0318	6.6230	6.4697	6.6230	6.1019	6.1019	6.6230	6.9255	7.0632	6.9136	6.6644	6.1019	5.7563	4.8083	4.5857	5.4544	5.4544
C13	4.0932	2.8341	2.4546	3.6752	4.4876	5.4544	5.7563	5.1739	4.0932	3.5576	2.3398	1.4461		1.3880	2.4546	3.5576	3.5576	2.4546	2.8341	2.4546	1.4461	2.3398	3.5576	4.4876	4.4876	5.3722	6.1019	6.6230	6.4697	6.6230	6.9136	7.0632	6.9255	6.6230	6.1019	5.3722	5.1739	4.0932	3.6752	4.4876	4.0932	4.8083	4.5857	5.4544	6.1019	5.7563	6.0318	5.4544	5.7563	6.4697	6.6230	6.9136	6.6644	6.6644	6.1019	5.4544	4.5857	4.8083	5.7563	6.0318
C14	3.6752	2.4546	2.8341	4.0932	4.4876	5.4544	6.0318	5.7563	4.8083	4.5857	3.5576	2.4546	1.3880		1.4461	2.3398	2.3398	1.4461	2.4546	2.8341	2.4546	3.5576	4.5857	5.4544	5.4544	6.1019	6.6644	6.9136	6.6230	6.4697	6.6230	6.9255	7.0632	6.9136	6.6644	6.1019	5.7563	4.8083	4.0932	4.4876	3.6752	4.0932	3.5576	4.4876	5.3722	5.1739	5.7563	5.4544	6.0318	6.6230	6.4697	6.6230	6.1019	6.1019	5.3722	4.4876	3.5576	4.0932	5.1739	5.7563
C15	2.4546	1.3880	2.4546	3.5576	3.5576	4.5857	5.4544	5.4544	4.5857	4.8083	4.0932	2.8341	2.4546	1.4461		1.4461	2.3398	2.3398	3.5576	4.0932	3.6752	4.4876	5.4544	6.0318	5.7563	6.1019	6.6644	6.6644	6.1019	5.7563	6.0318	6.6230	6.9136	7.0632	6.9136	6.6230	6.4697	5.7563	5.1739	5.3722	4.4876	4.4876	3.5576	4.0932	5.1739	5.3722	6.1019	6.1019	6.6230	6.9255	6.6230	6.4697	5.7563	5.4544	4.4876	3.6752	2.4546	2.8341	4.0932	4.8083
C16	2.8341	2.4546	3.6752	4.4876	4.0932	4.8083	5.7563	6.0318	5.4544	5.7563	5.1739	4.0932	3.5576	2.3398	1.4461		1.4461	2.3398	3.5576	4.4876	4.4876	5.3722	6.1019	6.6230	6.4697	6.6230	6.9136	6.6644	6.1019	5.4544	5.4544	6.1019	6.6644	6.9136	7.0632	6.9255	6.6230	6.1019	5.3722	5.1739	4.0932	3.6752	2.4546	2.8341	4.0932	4.4876	5.4544	5.7563	6.4697	6.6230	6.0318	5.7563	4.8083	4.5857	3.5576	2.4546	1.3880	2.4546	3.5576	4.5857
C17	4.0932	3.5576	4.4876	5.3722	5.1739	5.7563	6.4697	6.6230	6.1019	6.1019	5.3722	4.4876	3.5576	2.3398	2.3398	1.4461		1.4461	2.4546	3.6752	4.0932	5.1739	5.7563	6.4697	6.6230	6.9255	7.0632	6.9136	6.6230	6.0318	5.7563	6.1019	6.6644	6.6644	6.9136	6.6230	6.0318	5.4544	4.4876	4.0932	2.8341	2.4546	1.3880	2.4546	3.5576	3.5576	4.5857	4.8083	5.7563	6.1019	5.4544	5.4544	4.5857	4.8083	4.0932	2.8341	2.4546	3.6752	4.4876	5.4544
C18	4.4876	3.5576	4.0932	5.1739	5.3722	6.1019	6.6230	6.4697	5.7563	5.4544	4.4876	3.6752	2.4546	1.4461	2.3398	2.3398	1.4461		1.3880	2.4546	2.8341	4.0932	4.8083	5.7563	6.0318	6.6230	6.9136	7.0632	6.9255	6.6230	6.4697	6.6230	6.9136	6.6644	6.6644	6.1019	5.4544	4.5857	3.5576	3.5576	2.4546	2.8341	2.4546	3.6752	4.4876	4.0932	4.8083	4.5857	5.4544	6.1019	5.7563	6.0318	5.4544	5.7563	5.1739	4.0932	3.5576	4.4876	5.3722	6.1019
C19	5.4544	4.5857	4.8083	5.7563	6.1019	6.6644	6.9136	6.6230	6.0318	5.4544	4.4876	4.0932	2.8341	2.4546	3.5576	3.5576	2.4546	1.3880		1.4461	2.4546	3.6752	4.0932	5.1739	5.7563	6.4697	6.6230	6.9255	7.0632	6.9136	6.6230	6.4697	6.6230	6.1019	6.1019	5.3722	4.4876	3.5576	2.3398	2.3398	1.4461	2.4546	2.8341	4.0932	4.4876	3.6752	4.0932	3.5576	4.4876	5.3722	5.1739	5.7563	5.4544	6.0318	5.7563	4.8083	4.5857	5.4544	6.1019	6.6644
C20	5.7563	4.8083	4.5857	5.4544	6.1019	6.6644	6.6644	6.1019	5.4544	4.5857	3.5576	3.5576	2.4546	2.8341	4.0932	4.4876	3.6752	2.4546	1.4461		1.3880	2.4546	2.8341	4.0932	4.8083	5.7563	6.0318	6.6230	6.9136	7.0632	6.9255	6.6230	6.4697	5.7563	5.4544	4.4876	3.6752	2.4546	1.4461	2.3398	2.3398	3.5576	4.0932	5.1739	5.3722	4.4876	4.4876	3.5576	4.0932	5.1739	5.3722	6.1019	6.1019	6.6230	6.4697	5.7563	5.4544	6.0318	6.6230	6.9136
C21	5.1739	4.0932	3.5576	4.4876	5.3722	6.1019	6.1019	5.3722	4.4876	3.5576	2.3398	2.3398	1.4461	2.4546	3.6752	4.4876	4.0932	2.8341	2.4546	1.3880		1.4461	2.4546	3.6752	4.0932	5.1739	5.7563	6.4697	6.6230	6.9255	7.0632	6.9136	6.6230	6.0318	5.4544	4.4876	4.0932	2.8341	2.4546	3.5576	3.5576	4.5857	4.8083	5.7563	6.1019	5.4544	5.4544	4.5857	4.8083	5.7563	6.1019	6.6644	6.6644	6.9136	6.6230	6.0318	5.4544	5.7563	6.4697	6.6230
C22	5.3722	4.4876	3.5576	4.0932	5.1739	5.7563	5.4544	4.4876	3.6752	2.4546	1.4461	2.3398	2.3398	3.5576	4.4876	5.3722	5.1739	4.0932	3.6752	2.4546	1.4461		1.3880	2.4546	2.8341	4.0932	4.8083	5.7563	6.0318	6.6230	6.9136	6.6644	6.1019	5.4544	4.5857	3.5576	3.5576	2.4546	2.8341	4.0932	4.4876	5.4544	5.7563	6.4697	6.6230	6.0318	5.7563	4.8083	4.5857	5.4544	6.1019	6.6644	6.9136	7.0632	6.9255	6.6230	6.1019	6.1019	6.6230	6.4697
C23	6.1019	5.4544	4.5857	4.8083	5.7563	6.0318	5.4544	4.4876	4.0932	2.8341	2.4546	3.5576	3.5576	4.5857	5.4544	6.1019	5.7563	4.8083	4.0932	2.8341	2.4546	1.3880		1.4461	2.4546	3.6752	4.0932	5.1739	5.7563	6.4697	6.6230	6.1019	5.3722	4.4876	3.5576	2.3398	2.3398	1.4461	2.4546	3.6752	4.4876	5.4544	6.0318	6.6230	6.4697	5.7563	5.1739	4.0932	3.5576	4.4876	5.3722	6.1019	6.6230	6.9255	7.0632	6.9136	6.6644	6.6644	6.9136	6.6230
C24	6.1019	5.7563	4.8083	4.5857	5.4544	5.4544	4.5857	3.5576	3.5576	2.4546	2.8341	4.0932	4.4876	5.4544	6.0318	6.6230	6.4697	5.7563	5.1739	4.0932	3.6752	2.4546	1.4461		1.3880	2.4546	2.8341	4.0932	4.8083	5.7563	6.0318	5.4544	4.4876	3.6752	2.4546	1.4461	2.3398	2.3398	3.5576	4.4876	5.3722	6.1019	6.6230	6.9255	6.6230	6.1019	5.3722	4.4876	3.5576	4.0932	5.1739	5.7563	6.4697	6.6230	6.9136	7.0632	6.9136	6.6644	6.6644	6.1019
C25	5.3722	5.1739	4.0932	3.5576	4.4876	4.4876	3.5576	2.3398	2.3398	1.4461	2.4546	3.6752	4.4876	5.4544	5.7563	6.4697	6.6230	6.0318	5.7563	4.8083	4.0932	2.8341	2.4546	1.3880		1.4461	2.4546	3.6752	4.0932	5.1739	5.7563	5.4544	4.4876	4.0932	2.8341	2.4546	3.5576	3.5576	4.5857	5.4544	6.1019	6.6644	6.9136	7.0632	6.9136	6.6644	6.1019	5.4544	4.5857	4.8083	5.7563	6.0318	6.6230	6.4697	6.6230	6.9255	6.6230	6.1019	6.1019	5.3722
C26	5.1739	5.3722	4.4876	3.5576	4.0932	3.6752	2.4546	1.4461	2.3398	2.3398	3.5576	4.4876	5.3722	6.1019	6.1019	6.6230	6.9255	6.6230	6.4697	5.7563	5.1739	4.0932	3.6752	2.4546	1.4461		1.3880	2.4546	2.8341	4.0932	4.8083	4.5857	3.5576	3.5576	2.4546	2.8341	4.0932	4.4876	5.4544	6.0318	6.6230	6.9136	7.0632	6.9136	6.6644	6.6644	6.1019	5.7563	4.8083	4.5857	5.4544	5.4544	6.1019	5.7563	6.0318	6.6230	6.4697	5.7563	5.4544	4.4876
C27	5.7563	6.1019	5.4544	4.5857	4.8083	4.0932	2.8341	2.4546	3.5576	3.5576	4.5857	5.4544	6.1019	6.6644	6.6644	6.9136	7.0632	6.9136	6.6230	6.0318	5.7563	4.8083	4.0932	2.8341	2.4546	1.3880		1.4461	2.4546	3.6752	4.0932	3.5576	2.3398	2.3398	1.4461	2.4546	3.6752	4.4876	5.4544	5.7563	6.4697	6.6230	6.9255	6.6230	6.1019	6.1019	5.3722	5.1739	4.0932	3.5576	4.4876	4.4876	5.3722	5.1739	5.7563	6.4697	6.6230	6.0318	5.4544	4.4876
C28	5.4544	6.1019	5.7563	4.8083	4.5857	3.5576	2.4546	2.8341	4.0932	4.4876	5.4544	6.0318	6.6230	6.9136	6.6644	6.6644	6.9136	7.0632	6.9255	6.6230	6.4697	5.7563	5.1739	4.0932	3.6752	2.4546	1.4461		1.3880	2.4546	2.8341	2.4546	1.4461	2.3398	2.3398	3.5576	4.4876	5.3722	6.1019	6.1019	6.6230	6.4697	6.6230	6.0318	5.4544	5.7563	5.1739	5.3722	4.4876	3.5576	4.0932	3.6752	4.4876	4.0932	4.8083	5.7563	6.1019	5.4544	4.5857	3.5576
C29	4.4876	5.3722	5.1739	4.0932	3.5576	2.3398	1.4461	2.4546	3.6752	4.4876	5.4544	5.7563	6.4697	6.6230	6.1019	6.1019	6.6230	6.9255	7.0632	6.9136	6.6230	6.0318	5.7563	4.8083	4.0932	2.8341	2.4546	1.3880		1.4461	2.4546	2.8341	2.4546	3.5576	3.5576	4.5857	5.4544	6.1019	6.6644	6.6644	6.9136	6.6230	6.4697	5.7563	5.4544	6.0318	5.7563	6.1019	5.4544	4.5857	4.8083	4.0932	4.4876	3.6752	4.0932	5.1739	5.3722	4.4876	3.5576	2.3398
C30	4.0932	5.1739	5.3722	4.4876	3.5576	2.3398	2.3398	3.5576	4.4876	5.3722	6.1019	6.1019	6.6230	6.4697	5.7563	5.4544	6.0318	6.6230	6.9136	7.0632	6.9255	6.6230	6.4697	5.7563	5.1739	4.0932	3.6752	2.4546	1.4461		1.3880	2.4546	2.8341	4.0932	4.4876	5.4544	6.0318	6.6230	6.9136	6.6644	6.6644	6.1019	5.7563	4.8083	4.5857	5.4544	5.4544	6.1019	5.7563	4.8083	4.5857	3.5576	3.5576	2.4546	2.8341	4.0932	4.4876	3.6752	2.4546	1.4461
C31	4.8083	5.7563	6.1019	5.4544	4.5857	3.5576	3.5576	4.5857	5.4544	6.1019	6.6644	6.6644	6.9136	6.6230	6.0318	5.4544	5.7563	6.4697	6.6230	6.9255	7.0632	6.9136	6.6230	6.0318	5.7563	4.8083	4.0932	2.8341	2.4546	1.3880		1.4461	2.4546	3.6752	4.4876	5.4544	5.7563	6.4697	6.6230	6.1019	6.1019	5.3722	5.1739	4.0932	3.5576	4.4876	4.4876	5.3722	5.1739	4.0932	3.5576	2.3398	2.3398	1.4461	2.4546	3.6752	4.4876	4.0932	2.8341	2.4546
C32	5.7563	6.4697	6.6230	6.0318	5.4544	4.4876	4.0932	4.8083	5.7563	6.1019	6.6644	6.9136	7.0632	6.9255	6.6230	6.1019	6.1019	6.6230	6.4697	6.6230	6.9136	6.6644	6.1019	5.4544	5.4544	4.5857	3.5576	2.4546	2.8341	2.4546	1.4461		1.3880	2.4546	3.5576	4.5857	4.8083	5.7563	6.0318	5.4544	5.7563	5.1739	5.3722	4.4876	3.5576	4.0932	3.6752	4.4876	4.0932	2.8341	2.4546	1.4461	2.3398	2.3398	3.5576	4.4876	5.3722	5.1739	4.0932	3.6752
C33	6.0318	6.6230	6.4697	5.7563	5.4544	4.4876	3.6752	4.0932	5.1739	5.3722	6.1019	6.6230	6.9255	7.0632	6.9136	6.6644	6.6644	6.9136	6.6230	6.4697	6.6230	6.1019	5.3722	4.4876	4.4876	3.5576	2.3398	1.4461	2.4546	2.8341	2.4546	1.3880		1.4461	2.3398	3.5576	4.0932	5.1739	5.7563	5.4544	6.0318	5.7563	6.1019	5.4544	4.5857	4.8083	4.0932	4.4876	3.6752	2.4546	2.8341	2.4546	3.5576	3.5576	4.5857	5.4544	6.1019	5.7563	4.8083	4.0932
C34	6.6230	6.9255	6.6230	6.1019	6.1019	5.3722	4.4876	4.4876	5.3722	5.1739	5.7563	6.4697	6.6230	6.9136	7.0632	6.9136	6.6644	6.6644	6.1019	5.7563	6.0318	5.4544	4.4876	3.6752	4.0932	3.5576	2.3398	2.3398	3.5576	4.0932	3.6752	2.4546	1.4461		1.4461	2.4546	2.8341	4.0932	4.8083	4.5857	5.4544	5.4544	6.1019	5.7563	4.8083	4.5857	3.5576	3.5576	2.4546	1.3880	2.4546	2.8341	4.0932	4.4876	5.4544	6.0318	6.6230	6.4697	5.7563	5.1739
C35	6.4697	6.6230	6.0318	5.4544	5.7563	5.1739	4.0932	3.6752	4.4876	4.0932	4.8083	5.7563	6.1019	6.6644	6.9136	7.0632	6.9136	6.6644	6.1019	5.4544	5.4544	4.5857	3.5576	2.4546	2.8341	2.4546	1.4461	2.3398	3.5576	4.4876	4.4876	3.5576	2.3398	1.4461		1.3880	2.4546	3.5576	4.5857	4.8083	5.7563	6.0318	6.6230	6.4697	5.7563	5.4544	4.4876	4.0932	2.8341	2.4546	3.6752	4.0932	5.1739	5.3722	6.1019	6.6230	6.9255	6.6230	6.1019	5.3722
C36	6.6230	6.4697	5.7563	5.4544	6.0318	5.7563	4.8083	4.0932	4.4876	3.6752	4.0932	5.1739	5.3722	6.1019	6.6230	6.9255	6.6230	6.1019	5.3722	4.4876	4.4876	3.5576	2.3398	1.4461	2.4546	2.8341	2.4546	3.5576	4.5857	5.4544	5.4544	4.5857	3.5576	2.4546	1.3880		1.4461	2.3398	3.5576	4.0932	5.1739	5.7563	6.4697	6.6230	6.0318	5.4544	4.4876	3.6752	2.4546	2.8341	4.0932	4.8083	5.7563	6.1019	6.6644	6.9136	7.0632	6.9136	6.6644	6.1019
C37	6.9255	6.6230	6.1019	6.1019	6.6230	6.4697	5.7563	5.1739	5.3722	4.4876	4.4876	5.3722	5.1739	5.7563	6.4697	6.6230	6.0318	5.4544	4.4876	3.6752	4.0932	3.5576	2.3398	2.3398	3.5576	4.0932	3.6752	4.4876	5.4544	6.0318	5.7563	4.8083	4.0932	2.8341	2.4546	1.4461		1.4461	2.4546	2.8341	4.0932	4.8083	5.7563	6.1019	5.4544	4.5857	3.5576	2.4546	1.3880	2.4546	3.5576	4.5857	5.4544	6.1019	6.6644	6.6644	6.9136	7.0632	6.9136	6.6230
C38	6.6230	6.0318	5.4544	5.7563	6.4697	6.6230	6.1019	5.3722	5.1739	4.0932	3.6752	4.4876	4.0932	4.8083	5.7563	6.1019	5.4544	4.5857	3.5576	2.4546	2.8341	2.4546	1.4461	2.3398	3.5576	4.4876	4.4876	5.3722	6.1019	6.6230	6.4697	5.7563	5.1739	4.0932	3.5576	2.3398	1.4461		1.3880	2.4546	3.5576	4.5857	5.4544	6.1019	5.7563	4.8083	4.0932	2.8341	2.4546	3.6752	4.4876	5.4544	6.0318	6.6230	6.9136	6.6644	6.6644	6.9136	7.0632	6.9255
C39	6.4697	5.7563	5.4544	6.0318	6.6230	6.9136	6.6644	6.1019	5.7563	4.8083	4.0932	4.4876	3.6752	4.0932	5.1739	5.3722	4.4876	3.5576	2.3398	1.4461	2.4546	2.8341	2.4546	3.5576	4.5857	5.4544	5.4544	6.1019	6.6644	6.9136	6.6230	6.0318	5.7563	4.8083	4.5857	3.5576	2.4546	1.3880		1.4461	2.3398	3.5576	4.4876	5.3722	5.1739	4.0932	3.6752	2.4546	2.8341	4.0932	4.4876	5.4544	5.7563	6.4697	6.6230	6.1019	6.1019	6.6230	6.9255	7.0632
C40	6.6230	6.1019	6.1019	6.6230	6.9255	7.0632	6.9136	6.6230	6.4697	5.7563	5.1739	5.3722	4.4876	4.4876	5.3722	5.1739	4.0932	3.5576	2.3398	2.3398	3.5576	4.0932	3.6752	4.4876	5.4544	6.0318	5.7563	6.1019	6.6644	6.6644	6.1019	5.4544	5.4544	4.5857	4.8083	4.0932	2.8341	2.4546	1.4461		1.4461	2.4546	3.6752	4.4876	4.0932	2.8341	2.4546	1.3880	2.4546	3.5576	3.5576	4.5857	4.8083	5.7563	6.0318	5.4544	5.7563	6.4697	6.6230	6.9136
C41	6.0318	5.4544	5.7563	6.4697	6.6230	6.9136	7.0632	6.9255	6.6230	6.1019	5.3722	5.1739	4.0932	3.6752	4.4876	4.0932	2.8341	2.4546	1.4461	2.3398	3.5576	4.4876	4.4876	5.3722	6.1019	6.6230	6.4697	6.6230	6.9136	6.6644	6.1019	5.7563	6.0318	5.4544	5.7563	5.1739	4.0932	3.5576	2.3398	1.4461		1.3880	2.4546	3.5576	3.5576	2.4546	2.8341	2.4546	3.6752	4.4876	4.0932	4.8083	4.5857	5.4544	5.4544	4.5857	4.8083	5.7563	6.1019	6.6644
C42	5.7563	5.4544	6.0318	6.6230	6.4697	6.6230	6.9255	7.0632	6.9136	6.6644	6.1019	5.7563	4.8083	4.0932	4.4876	3.6752	2.4546	2.8341	2.4546	3.5576	4.5857	5.4544	5.4544	6.1019	6.6644	6.9136	6.6230	6.4697	6.6230	6.1019	5.3722	5.1739	5.7563	5.4544	6.0318	5.7563	4.8083	4.5857	3.5576	2.4546	1.3880		1.4461	2.3398	2.3398	1.4461	2.4546	2.8341	4.0932	4.4876	3.6752	4.0932	3.5576	4.4876	4.4876	3.5576	4.0932	5.1739	5.3722	6.1019
C43	4.8083	4.5857	5.4544	6.1019	5.7563	6.0318	6.6230	6.9136	6.6644	6.6644	6.1019	5.4544	4.5857	3.5576	3.5576	2.4546	1.3880	2.4546	2.8341	4.0932	4.8083	5.7563	6.0318	6.6230	6.9136	7.0632	6.9255	6.6230	6.4697	5.7563	5.1739	5.3722	6.1019	6.1019	6.6230	6.4697	5.7563	5.4544	4.4876	3.6752	2.4546	1.4461		1.4461	2.3398	2.3398	3.5576	4.0932	5.1739	5.3722	4.4876	4.4876	3.5576	4.0932	3.6752	2.4546	2.8341	4.0932	4.4876	5.4544
C44	4.5857	4.8083	5.7563	6.1019	5.4544	5.4544	6.1019	6.6644	6.6644	6.9136	6.6230	6.0318	5.4544	4.4876	4.0932	2.8341	2.4546	3.6752	4.0932	5.1739	5.7563	6.4697	6.6230	6.9255	7.0632	6.9136	6.6230	6.0318	5.7563	4.8083	4.0932	4.4876	5.4544	5.7563	6.4697	6.6230	6.1019	6.1019	5.3722	4.4876	3.5576	2.3398	1.4461		1.4461	2.3398	3.5576	4.4876	5.3722	5.1739	4.0932	3.6752	2.4546	2.8341	2.4546	1.3880	2.4546	3.5576	3.5576	4.5857
C45	5.4544	5.7563	6.4697	6.6230	6.0318	5.7563	6.1019	6.6644	6.9136	7.0632	6.9255	6.6230	6.1019	5.3722	5.1739	4.0932	3.5576	4.4876	4.4876	5.3722	6.1019	6.6230	6.4697	6.6230	6.9136	6.6644	6.1019	5.4544	5.4544	4.5857	3.5576	3.5576	4.5857	4.8083	5.7563	6.0318	5.4544	5.7563	5.1739	4.0932	3.5576	2.3398	2.3398	1.4461		1.4461	2.4546	3.6752	4.4876	4.0932	2.8341	2.4546	1.3880	2.4546	2.8341	2.4546	3.6752	4.4876	4.0932	4.8083
C46	6.1019	6.1019	6.6230	6.9255	6.6230	6.4697	6.6230	6.9136	7.0632	6.9136	6.6230	6.4697	5.7563	5.1739	5.3722	4.4876	3.5576	4.0932	3.6752	4.4876	5.4544	6.0318	5.7563	6.1019	6.6644	6.6644	6.1019	5.7563	6.0318	5.4544	4.4876	4.0932	4.8083	4.5857	5.4544	5.4544	4.5857	4.8083	4.0932	2.8341	2.4546	1.4461	2.3398	2.3398	1.4461		1.3880	2.4546	3.5576	3.5576	2.4546	2.8341	2.4546	3.6752	4.0932	3.5576	4.4876	5.3722	5.1739	5.7563
C47	6.6644	6.6644	6.9136	7.0632	6.9136	6.6230	6.4697	6.6230	6.9255	6.6230	6.4697	6.6230	6.0318	5.7563	6.1019	5.4544	4.5857	4.8083	4.0932	4.4876	5.4544	5.7563	5.1739	5.3722	6.1019	6.1019	5.3722	5.1739	5.7563	5.4544	4.4876	3.6752	4.0932	3.5576	4.4876	4.4876	3.5576	4.0932	3.6752	2.4546	2.8341	2.4546	3.5576	3.5576	2.4546	1.3880		1.4461	2.3398	2.3398	1.4461	2.4546	2.8341	4.0932	4.8083	4.5857	5.4544	6.1019	5.7563	6.0318
C48	6.9136	6.6644	6.6644	6.9136	7.0632	6.9255	6.6230	6.4697	6.6230	6.0318	5.7563	6.1019	5.4544	5.4544	6.1019	5.7563	4.8083	4.5857	3.5576	3.5576	4.5857	4.8083	4.0932	4.4876	5.4544	5.7563	5.1739	5.3722	6.1019	6.1019	5.3722	4.4876	4.4876	3.5576	4.0932	3.6752	2.4546	2.8341	2.4546	1.3880	2.4546	2.8341	4.0932	4.4876	3.6752	2.4546	1.4461		1.4461	2.3398	2.3398	3.5576	4.0932	5.1739	5.7563	5.4544	6.0318	6.6230	6.4697	6.6230
C49	7.0632	6.9136	6.6644	6.6644	6.9136	6.6230	6.0318	5.7563	6.1019	5.4544	5.4544	6.1019	5.7563	6.0318	6.6230	6.4697	5.7563	5.4544	4.4876	4.0932	4.8083	4.5857	3.5576	3.5576	4.5857	4.8083	4.0932	4.4876	5.4544	5.7563	5.1739	4.0932	3.6752	2.4546	2.8341	2.4546	1.3880	2.4546	2.8341	2.4546	3.6752	4.0932	5.1739	5.3722	4.4876	3.5576	2.3398	1.4461		1.4461	2.3398	3.5576	4.4876	5.3722	6.1019	6.1019	6.6230	6.9255	6.6230	6.4697
C50	6.9136	7.0632	6.9136	6.6644	6.6644	6.1019	5.4544	5.4544	6.1019	5.7563	6.0318	6.6230	6.4697	6.6230	6.9255	6.6230	6.1019	6.1019	5.3722	5.1739	5.7563	5.4544	4.4876	4.0932	4.8083	4.5857	3.5576	3.5576	4.5857	4.8083	4.0932	2.8341	2.4546	1.3880	2.4546	2.8341	2.4546	3.6752	4.0932	3.5576	4.4876	4.4876	5.3722	5.1739	4.0932	3.5576	2.3398	2.3398	1.4461		1.4461	2.4546	3.6752	4.4876	5.4544	5.7563	6.4697	6.6230	6.0318	5.7563
C51	6.6644	6.9136	7.0632	6.9136	6.6644	6.1019	5.7563	6.0318	6.6230	6.4697	6.6230	6.9255	6.6230	6.4697	6.6230	6.0318	5.4544	5.7563	5.1739	5.3722	6.1019	6.1019	5.3722	5.1739	5.7563	5.4544	4.4876	4.0932	4.8083	4.5857	3.5576	2.4546	2.8341	2.4546	3.6752	4.0932	3.5576	4.4876	4.4876	3.5576	4.0932	3.6752	4.4876	4.0932	2.8341	2.4546	1.4461	2.3398	2.3398	1.4461		1.3880	2.4546	3.5576	4.5857	4.8083	5.7563	6.1019	5.4544	5.4544
C52	6.1019	6.6230	6.9255	6.6230	6.1019	5.3722	5.1739	5.7563	6.4697	6.6230	6.9136	7.0632	6.9136	6.6230	6.4697	5.7563	5.4544	6.0318	5.7563	6.1019	6.6644	6.6644	6.1019	5.7563	6.0318	5.4544	4.4876	3.6752	4.0932	3.5576	2.3398	1.4461	2.4546	2.8341	4.0932	4.8083	4.5857	5.4544	5.4544	4.5857	4.8083	4.0932	4.4876	3.6752	2.4546	2.8341	2.4546	3.5576	3.5576	2.4546	1.3880		1.4461	2.3398	3.5576	4.0932	5.1739	5.3722	4.4876	4.4876
C53	5.4544	6.0318	6.6230	6.4697	5.7563	5.1739	5.3722	6.1019	6.6230	6.9255	7.0632	6.9136	6.6644	6.1019	5.7563	4.8083	4.5857	5.4544	5.4544	6.1019	6.6644	6.9136	6.6230	6.4697	6.6230	6.1019	5.3722	4.4876	4.4876	3.5576	2.3398	2.3398	3.5576	4.0932	5.1739	5.7563	5.4544	6.0318	5.7563	4.8083	4.5857	3.5576	3.5576	2.4546	1.3880	2.4546	2.8341	4.0932	4.4876	3.6752	2.4546	1.4461		1.4461	2.4546	2.8341	4.0932	4.4876	3.6752	4.0932
C54	4.5857	5.4544	6.1019	5.7563	4.8083	4.0932	4.4876	5.4544	6.0318	6.6230	6.9136	6.6644	6.6644	6.1019	5.4544	4.5857	4.8083	5.7563	6.0318	6.6230	6.9136	7.0632	6.9255	6.6230	6.4697	5.7563	5.1739	4.0932	3.6752	2.4546	1.4461	2.3398	3.5576	4.4876	5.3722	6.1019	6.1019	6.6230	6.4697	5.7563	5.4544	4.4876	4.0932	2.8341	2.4546	3.6752	4.0932	5.1739	5.3722	4.4876	3.5576	2.3398	1.4461		1.3880	2.4546	3.5576	3.5576	2.4546	2.8341
C55	3.5576	4.4876	5.3722	5.1739	4.0932	3.6752	4.4876	5.4544	5.7563	6.4697	6.6230	6.1019	6.1019	5.3722	4.4876	3.5576	4.0932	5.1739	5.7563	6.4697	6.6230	6.9255	7.0632	6.9136	6.6230	6.0318	5.7563	4.8083	4.0932	2.8341	2.4546	3.5576	4.5857	5.4544	6.1019	6.6644	6.6644	6.9136	6.6230	6.0318	5.4544	4.4876	3.6752	2.4546	2.8341	4.0932	4.8083	5.7563	6.1019	5.4544	4.5857	3.5576	2.4546	1.3880		1.4461	2.3398	2.3398	1.4461	2.4546
C56	3.5576	4.0932	5.1739	5.3722	4.4876	4.4876	5.3722	6.1019	6.1019	6.6230	6.4697	5.7563	5.4544	4.4876	3.6752	2.4546	2.8341	4.0932	4.8083	5.7563	6.0318	6.6230	6.9136	7.0632	6.9255	6.6230	6.4697	5.7563	5.1739	4.0932	3.6752	4.4876	5.4544	6.0318	6.6230	6.9136	6.6644	6.6644	6.1019	5.4544	4.5857	3.5576	2.4546	1.3880	2.4546	3.5576	4.5857	5.4544	6.1019	5.7563	4.8083	4.0932	2.8341	2.4546	1.4461		1.4461	2.3398	2.3398	3.5576
C57	2.4546	2.8341	4.0932	4.4876	3.6752	4.0932	5.1739	5.7563	5.4544	6.0318	5.7563	4.8083	4.5857	3.5576	2.4546	1.3880	2.4546	3.5576	4.5857	5.4544	5.4544	6.1019	6.6644	6.9136	6.6230	6.4697	6.6230	6.1019	5.3722	4.4876	4.4876	5.3722	6.1019	6.6230	6.9255	7.0632	6.9136	6.6644	6.1019	5.7563	4.8083	4.0932	2.8341	2.4546	3.6752	4.4876	5.4544	6.0318	6.6230	6.4697	5.7563	5.1739	4.0932	3.5576	2.3398	1.4461		1.4461	2.3398	3.5576
C58	1.3880	2.4546	3.5576	3.5576	2.4546	2.8341	4.0932	4.8083	4.5857	5.4544	5.4544	4.5857	4.8083	4.0932	2.8341	2.4546	3.6752	4.4876	5.4544	6.0318	5.7563	6.1019	6.6644	6.6644	6.1019	5.7563	6.0318	5.4544	4.4876	3.6752	4.0932	5.1739	5.7563	6.4697	6.6230	6.9136	7.0632	6.9136	6.6230	6.4697	5.7563	5.1739	4.0932	3.5576	4.4876	5.3722	6.1019	6.6230	6.9255	6.6230	6.1019	5.3722	4.4876	3.5576	2.3398	2.3398	1.4461		1.4461	2.4546
C59	2.4546	3.6752	4.4876	4.0932	2.8341	2.4546	3.5576	4.5857	4.8083	5.7563	6.0318	5.4544	5.7563	5.1739	4.0932	3.5576	4.4876	5.3722	6.1019	6.6230	6.4697	6.6230	6.9136	6.6644	6.1019	5.4544	5.4544	4.5857	3.5576	2.4546	2.8341	4.0932	4.8083	5.7563	6.1019	6.6644	6.9136	7.0632	6.9255	6.6230	6.1019	5.3722	4.4876	3.5576	4.0932	5.1739	5.7563	6.4697	6.6230	6.0318	5.4544	4.4876	3.6752	2.4546	1.4461	2.3398	2.3398	1.4461		1.3880
C60	2.8341	4.0932	4.4876	3.6752	2.4546	1.4461	2.3398	3.5576	4.0932	5.1739	5.7563	5.4544	6.0318	5.7563	4.8083	4.5857	5.4544	6.1019	6.6644	6.9136	6.6230	6.4697	6.6230	6.1019	5.3722	4.4876	4.4876	3.5576	2.3398	1.4461	2.4546	3.6752	4.0932	5.1739	5.3722	6.1019	6.6230	6.9255	7.0632	6.9136	6.6644	6.1019	5.4544	4.5857	4.8083	5.7563	6.0318	6.6230	6.4697	5.7563	5.4544	4.4876	4.0932	2.8341	2.4546	3.5576	3.5576	2.4546	1.3880

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 mPW1PW91/6-31G(2df,p) 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 -320.789 0.000 0.000 y 0.000 -320.789 0.000 z 0.000 0.000 -320.789

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	71.298	0.000	0.000
y	0.000	71.299	0.000
z	0.000	0.000	71.299

<r²> (average value of r²) Ų

<r2>	4690.379
(<r2>)1/2	68.486