All results from a given calculation for C₆₀ (Buckminsterfullerene)

Energy calculated at TPSSh/3-21G*

	hartrees
Energy at 0K	-2273.766741
Energy at 298.15K	-2273.764005
HF Energy	-2273.766741
Nuclear repulsion energy	8302.986058

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 TPSSh/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	1502	1451	0.00
2	Ag	488	471	0.00
3	Au	995	961	0.00
4	T1g	1270	1226	0.00
4	T1g	1270	1226	0.00
4	T1g	1270	1226	0.00
5	T1g	852	823	0.00
5	T1g	852	823	0.00
5	T1g	852	823	0.00
6	T1g	530	512	0.00
6	T1g	530	512	0.00
6	T1g	530	512	0.00
7	T1u	1455	1405	14.18
7	T1u	1455	1405	14.18
7	T1u	1455	1405	14.18
8	T1u	1173	1133	9.75
8	T1u	1173	1133	9.75
8	T1u	1173	1133	9.75
9	T1u	579	559	6.63
9	T1u	579	559	6.63
9	T1u	579	559	6.63
10	T1u	498	481	25.54
10	T1u	498	481	25.54
10	T1u	498	481	25.54
11	T2g	1325	1280	0.00
11	T2g	1325	1280	0.00
11	T2g	1325	1280	0.00
12	T2g	826	798	0.00
12	T2g	826	798	0.00
12	T2g	826	798	0.00
13	T2g	617	596	0.00
13	T2g	617	596	0.00
13	T2g	617	596	0.00
14	T2g	575	555	0.00
14	T2g	575	555	0.00
14	T2g	575	555	0.00
15	T2u	1555	1501	0.00
15	T2u	1555	1501	0.00
15	T2u	1555	1501	0.00
16	T2u	1169	1129	0.00
16	T2u	1169	1129	0.00
16	T2u	1169	1129	0.00
17	T2u	967	933	0.00
17	T2u	967	933	0.00
17	T2u	967	933	0.00
18	T2u	657	635	0.00
18	T2u	657	635	0.00
81	T2u	657	635	0.00
19	T2u	345	333	0.00
19	T2u	345	333	0.00
19	T2u	345	333	0.00
20	Gg	1512	1460	0.00
20	Gg	1512	1460	0.00
20	Gg	1512	1460	0.00
20	Gg	1512	1460	0.00
21	Gg	1314	1269	0.00
21	Gg	1314	1269	0.00
21	Gg	1314	1269	0.00
21	Gg	1314	1269	0.00
22	Gg	1071	1034	0.00
22	Gg	1071	1034	0.00
22	Gg	1071	1034	0.00
22	Gg	1071	1034	0.00
23	Gg	664	641	0.00
23	Gg	664	641	0.00
23	Gg	664	641	0.00
23	Gg	664	641	0.00
24	Gg	591	570	0.00
24	Gg	591	570	0.00
24	Gg	591	570	0.00
24	Gg	591	570	0.00
25	Gg	478	462	0.00
25	Gg	478	462	0.00
25	Gg	478	462	0.00
25	Gg	478	462	0.00
26	Gu	1430	1381	0.00
26	Gu	1430	1381	0.00
26	Gu	1430	1381	0.00
26	Gu	1430	1381	0.00
27	Gu	1300	1256	0.00
27	Gu	1300	1256	0.00
27	Gu	1300	1256	0.00
27	Gu	1300	1256	0.00
28	Gu	969	936	0.00
28	Gu	969	936	0.00
28	Gu	969	936	0.00
28	Gu	969	936	0.00
29	Gu	782	756	0.00
29	Gu	782	756	0.00
29	Gu	782	756	0.00
29	Gu	782	756	0.00
30	Gu	633	612	0.00
30	Gu	633	612	0.00
30	Gu	633	612	0.00
30	Gu	633	612	0.00
31	Gu	352	340	0.00
31	Gu	352	340	0.00
31	Gu	352	340	0.00
31	Gu	352	340	0.00
32	Hg	1593	1538	0.00
32	Hg	1593	1538	0.00
32	Hg	1593	1538	0.00
32	Hg	1593	1538	0.00
32	Hg	1593	1538	0.00
33	Hg	1435	1385	0.00
33	Hg	1435	1385	0.00
33	Hg	1435	1385	0.00
33	Hg	1435	1385	0.00
33	Hg	1435	1385	0.00
34	Hg	1232	1190	0.00
34	Hg	1232	1190	0.00
34	Hg	1232	1190	0.00
34	Hg	1232	1190	0.00
34	Hg	1232	1190	0.00
35	Hg	1104	1067	0.00
35	Hg	1104	1067	0.00
35	Hg	1104	1067	0.00
35	Hg	1104	1067	0.00
35	Hg	1104	1067	0.00
36	Hg	777	751	0.00
36	Hg	777	751	0.00
36	Hg	777	751	0.00
36	Hg	777	751	0.00
36	Hg	777	751	0.00
37	Hg	657	635	0.00
37	Hg	657	635	0.00
37	Hg	657	635	0.00
37	Hg	657	635	0.00
37	Hg	657	635	0.00
38	Hg	423	409	0.00
38	Hg	423	409	0.00
38	Hg	423	409	0.00
38	Hg	423	409	0.00
38	Hg	423	409	0.00
39	Hg	269	259	0.00
39	Hg	269	259	0.00
39	Hg	269	259	0.00
39	Hg	269	259	0.00
39	Hg	269	259	0.00
40	Hu	1580	1525	0.00
40	Hu	1580	1525	0.00
40	Hu	1580	1525	0.00
40	Hu	1580	1525	0.00
40	Hu	1580	1525	0.00
41	Hu	1333	1288	0.00
41	Hu	1333	1288	0.00
41	Hu	1333	1288	0.00
41	Hu	1333	1288	0.00
41	Hu	1333	1288	0.00
42	Hu	1212	1170	0.00
42	Hu	1212	1170	0.00
42	Hu	1212	1170	0.00
42	Hu	1212	1170	0.00
42	Hu	1212	1170	0.00
43	Hu	705	681	0.00
43	Hu	705	681	0.00
43	Hu	705	681	0.00
43	Hu	705	681	0.00
43	Hu	705	681	0.00
44	Hu	652	630	0.00
44	Hu	652	630	0.00
44	Hu	652	630	0.00
44	Hu	652	630	0.00
44	Hu	652	630	0.00
45	Hu	524	506	0.00
45	Hu	524	506	0.00
45	Hu	524	506	0.00
45	Hu	524	506	0.00
45	Hu	524	506	0.00
46	Hu	415	401	0.00
46	Hu	415	401	0.00
46	Hu	415	401	0.00
46	Hu	415	401	0.00
46	Hu	415	401	0.00

Unscaled Zero Point Vibrational Energy (zpe) 80051.1 cm^-1
Scaled (by 0.9657) Zero Point Vibrational Energy (zpe) 77305.3 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 TPSSh/3-21G*

A	B	C
0.00277	0.00277	0.00277

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

Geometric Data calculated at TPSSh/3-21G*

Point Group is I_h

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.242	3.336
C2	-1.182	0.384	3.336
C3	-0.730	-1.005	3.336
C4	0.730	-1.005	3.336
C5	1.182	0.384	3.336
C6	2.310	0.750	2.603
C7	3.040	-0.255	1.835
C8	2.609	-1.581	1.835
C9	1.427	-1.965	2.603
C10	0.697	-2.970	1.835
C11	-0.697	-2.970	1.835
C12	-1.427	-1.965	2.603
C13	-2.609	-1.581	1.835
C14	-3.040	-0.255	1.835
C15	-2.310	0.750	2.603
C16	-2.310	1.993	1.835
C17	-3.040	1.756	0.593
C18	-3.491	0.367	0.593
C19	-3.491	-0.367	-0.593
C20	-3.040	-1.756	-0.593
C21	-2.609	-2.349	0.593
C22	-1.427	-3.207	0.593
C23	-0.730	-3.434	-0.593
C24	0.730	-3.434	-0.593
C25	1.427	-3.207	0.593
C26	2.609	-2.349	0.593
C27	3.040	-1.756	-0.593
C28	3.491	-0.367	-0.593
C29	3.491	0.367	0.593
C30	3.040	1.756	0.593
C31	2.609	2.349	-0.593
C32	2.609	1.581	-1.835
C33	3.040	0.255	-1.835
C34	2.310	-0.750	-2.603
C35	2.310	-1.993	-1.835
C36	1.182	-2.812	-1.835
C37	0.000	-2.429	-2.603
C38	-1.182	-2.812	-1.835
C39	-2.310	-1.993	-1.835
C40	-2.310	-0.750	-2.603
C41	-3.040	0.255	-1.835
C42	-2.609	1.581	-1.835
C43	-2.609	2.349	-0.593
C44	-1.427	3.207	-0.593
C45	-0.697	2.970	-1.835
C46	-1.427	1.965	-2.603
C47	-0.730	1.005	-3.336
C48	-1.182	-0.384	-3.336
C49	0.000	-1.242	-3.336
C50	1.182	-0.384	-3.336
C51	0.730	1.005	-3.336
C52	1.427	1.965	-2.603
C53	0.697	2.970	-1.835
C54	1.427	3.207	-0.593
C55	0.730	3.434	0.593
C56	-0.730	3.434	0.593
C57	-1.182	2.812	1.835
C58	0.000	2.429	2.603
C59	1.182	2.812	1.835
C60	2.310	1.993	1.835

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		1.4604	2.3630	2.3630	1.4604	2.4726	3.7060	4.1267	3.5861	4.5255	4.5255	3.5861	4.1267	3.7060	2.4726	2.8549	4.1267	4.5255	5.4970	5.8024	5.2179	5.4184	6.1512	6.1512	5.4184	5.2179	5.8024	5.4970	4.5255	4.1267	4.8447	5.8024	6.0797	6.6771	6.5228	6.6771	6.9823	6.6771	6.5228	6.6771	6.0797	5.8024	4.8447	4.6193	5.4970	6.1512	6.7166	6.9688	7.1202	6.9688	6.7166	6.1512	5.4970	4.6193	3.5861	3.5861	2.4726	1.3945	2.4726	2.8549
C2	1.4604		1.4604	2.3630	2.3630	3.5861	4.5255	4.5255	3.5861	4.1267	3.7060	2.4726	2.8549	2.4726	1.3945	2.4726	3.5861	3.5861	4.6193	4.8447	4.1267	4.5255	5.4970	5.8024	5.2179	5.4184	6.1512	6.1512	5.4184	5.2179	5.8024	6.5228	6.6771	6.9823	6.6771	6.5228	6.6771	6.0797	5.8024	6.1512	5.4970	5.4970	4.6193	4.8447	5.8024	6.1512	6.7166	6.7166	6.9688	7.1202	6.9688	6.6771	6.0797	5.4970	4.5255	4.1267	2.8549	2.4726	3.7060	4.1267
C3	2.3630	1.4604		1.4604	2.3630	3.5861	4.1267	3.7060	2.4726	2.8549	2.4726	1.3945	2.4726	2.8549	2.4726	3.7060	4.5255	4.1267	4.8447	4.6193	3.5861	3.5861	4.6193	4.8447	4.1267	4.5255	5.4970	5.8024	5.2179	5.4184	6.1512	6.6771	6.5228	6.6771	6.0797	5.8024	6.1512	5.4970	5.4970	6.1512	5.8024	6.0797	5.4970	5.8024	6.5228	6.6771	6.9688	6.7166	6.7166	6.9688	7.1202	6.9823	6.6771	6.1512	5.4184	5.2179	4.1267	3.5861	4.5255	4.5255
C4	2.3630	2.3630	1.4604		1.4604	2.4726	2.8549	2.4726	1.3945	2.4726	2.8549	2.4726	3.7060	4.1267	3.5861	4.5255	5.4184	5.2179	5.8024	5.4970	4.5255	4.1267	4.8447	4.6193	3.5861	3.5861	4.6193	4.8447	4.1267	4.5255	5.4970	6.0797	5.8024	6.1512	5.4970	5.4970	6.1512	5.8024	6.0797	6.6771	6.5228	6.6771	6.1512	6.1512	6.6771	6.9823	7.1202	6.9688	6.7166	6.7166	6.9688	6.6771	6.5228	5.8024	5.2179	5.4184	4.5255	3.5861	4.1267	3.7060
C5	1.4604	2.3630	2.3630	1.4604		1.3945	2.4726	2.8549	2.4726	3.7060	4.1267	3.5861	4.5255	4.5255	3.5861	4.1267	5.2179	5.4184	6.1512	6.1512	5.4184	5.2179	5.8024	5.4970	4.5255	4.1267	4.8447	4.6193	3.5861	3.5861	4.6193	5.4970	5.4970	6.1512	5.8024	6.0797	6.6771	6.5228	6.6771	6.9823	6.6771	6.5228	5.8024	5.4970	6.0797	6.6771	6.9688	7.1202	6.9688	6.7166	6.7166	6.1512	5.8024	4.8447	4.1267	4.5255	3.7060	2.4726	2.8549	2.4726
C6	2.4726	3.5861	3.5861	2.4726	1.3945		1.4604	2.4726	2.8549	4.1267	4.8447	4.6193	5.4970	5.4970	4.6193	4.8447	5.8024	6.1512	6.7166	6.7166	6.1512	5.8024	6.0797	5.4970	4.5255	3.7060	4.1267	3.5861	2.3630	2.3630	3.5861	4.5255	4.5255	5.4184	5.2179	5.8024	6.5228	6.6771	6.9688	7.1202	6.9688	6.6771	6.0797	5.4970	5.8024	6.5228	6.6771	6.9823	6.6771	6.1512	6.1512	5.4184	5.2179	4.1267	3.7060	4.5255	4.1267	2.8549	2.4726	1.4604
C7	3.7060	4.5255	4.1267	2.8549	2.4726	1.4604		1.3945	2.4726	3.5861	4.6193	4.8447	5.8024	6.0797	5.4970	5.8024	6.5228	6.6771	6.9688	6.7166	6.1512	5.4970	5.4970	4.6193	3.5861	2.4726	2.8549	2.4726	1.4604	2.3630	3.5861	4.1267	3.7060	4.5255	4.1267	4.8447	5.8024	6.1512	6.7166	6.9688	7.1202	6.9823	6.6771	6.1512	6.1512	6.6771	6.5228	6.6771	6.0797	5.4970	5.8024	5.2179	5.4184	4.5255	4.5255	5.4184	5.2179	4.1267	3.5861	2.3630
C8	4.1267	4.5255	3.7060	2.4726	2.8549	2.4726	1.3945		1.4604	2.3630	3.5861	4.1267	5.2179	5.8024	5.4970	6.0797	6.6771	6.5228	6.6771	6.1512	5.4184	4.5255	4.5255	3.5861	2.3630	1.4604	2.4726	2.8549	2.4726	3.5861	4.6193	4.8447	4.1267	4.5255	3.7060	4.1267	5.2179	5.4184	6.1512	6.6771	6.9823	7.1202	6.9688	6.7166	6.7166	6.9688	6.6771	6.5228	5.8024	5.4970	6.0797	5.8024	6.1512	5.4970	5.4970	6.1512	5.8024	4.8447	4.6193	3.5861
C9	3.5861	3.5861	2.4726	1.3945	2.4726	2.8549	2.4726	1.4604		1.4604	2.4726	2.8549	4.1267	4.8447	4.6193	5.4970	6.1512	5.8024	6.0797	5.4970	4.5255	3.7060	4.1267	3.5861	2.3630	2.3630	3.5861	4.1267	3.7060	4.5255	5.4970	5.8024	5.2179	5.4184	4.5255	4.5255	5.4184	5.2179	5.8024	6.5228	6.6771	6.9688	6.7166	6.7166	6.9688	7.1202	6.9823	6.6771	6.1512	6.1512	6.6771	6.5228	6.6771	6.0797	5.8024	6.1512	5.4970	4.6193	4.8447	4.1267
C10	4.5255	4.1267	2.8549	2.4726	3.7060	4.1267	3.5861	2.3630	1.4604		1.3945	2.4726	3.5861	4.6193	4.8447	5.8024	6.1512	5.4970	5.4970	4.6193	3.5861	2.4726	2.8549	2.4726	1.4604	2.3630	3.5861	4.5255	4.5255	5.4184	6.1512	6.1512	5.4184	5.2179	4.1267	3.7060	4.5255	4.1267	4.8447	5.8024	6.1512	6.7166	6.7166	6.9688	7.1202	6.9688	6.6771	6.0797	5.4970	5.8024	6.5228	6.6771	6.9823	6.6771	6.5228	6.6771	6.0797	5.4970	5.8024	5.2179
C11	4.5255	3.7060	2.4726	2.8549	4.1267	4.8447	4.6193	3.5861	2.4726	1.3945		1.4604	2.3630	3.5861	4.1267	5.2179	5.4184	4.5255	4.5255	3.5861	2.3630	1.4604	2.4726	2.8549	2.4726	3.5861	4.6193	5.4970	5.4970	6.1512	6.7166	6.7166	6.1512	5.8024	4.8447	4.1267	4.5255	3.7060	4.1267	5.2179	5.4184	6.1512	6.1512	6.6771	6.9823	6.6771	6.5228	5.8024	5.4970	6.0797	6.6771	6.9688	7.1202	6.9688	6.6771	6.5228	5.8024	5.4970	6.0797	5.8024
C12	3.5861	2.4726	1.3945	2.4726	3.5861	4.6193	4.8447	4.1267	2.8549	2.4726	1.4604		1.4604	2.4726	2.8549	4.1267	4.5255	3.7060	4.1267	3.5861	2.3630	2.3630	3.5861	4.1267	3.7060	4.5255	5.4970	6.0797	5.8024	6.1512	6.7166	6.9688	6.6771	6.5228	5.8024	5.2179	5.4184	4.5255	4.5255	5.4184	5.2179	5.8024	5.4970	6.0797	6.6771	6.5228	6.6771	6.1512	6.1512	6.6771	6.9823	7.1202	6.9688	6.7166	6.1512	5.8024	4.8447	4.6193	5.4970	5.4970
C13	4.1267	2.8549	2.4726	3.7060	4.5255	5.4970	5.8024	5.2179	4.1267	3.5861	2.3630	1.4604		1.3945	2.4726	3.5861	3.5861	2.4726	2.8549	2.4726	1.4604	2.3630	3.5861	4.5255	4.5255	5.4184	6.1512	6.6771	6.5228	6.6771	6.9688	7.1202	6.9823	6.6771	6.1512	5.4184	5.2179	4.1267	3.7060	4.5255	4.1267	4.8447	4.6193	5.4970	6.1512	5.8024	6.0797	5.4970	5.8024	6.5228	6.6771	6.9688	6.7166	6.7166	6.1512	5.4970	4.6193	4.8447	5.8024	6.0797
C14	3.7060	2.4726	2.8549	4.1267	4.5255	5.4970	6.0797	5.8024	4.8447	4.6193	3.5861	2.4726	1.3945		1.4604	2.3630	2.3630	1.4604	2.4726	2.8549	2.4726	3.5861	4.6193	5.4970	5.4970	6.1512	6.7166	6.9688	6.6771	6.5228	6.6771	6.9823	7.1202	6.9688	6.7166	6.1512	5.8024	4.8447	4.1267	4.5255	3.7060	4.1267	3.5861	4.5255	5.4184	5.2179	5.8024	5.4970	6.0797	6.6771	6.5228	6.6771	6.1512	6.1512	5.4184	4.5255	3.5861	4.1267	5.2179	5.8024
C15	2.4726	1.3945	2.4726	3.5861	3.5861	4.6193	5.4970	5.4970	4.6193	4.8447	4.1267	2.8549	2.4726	1.4604		1.4604	2.3630	2.3630	3.5861	4.1267	3.7060	4.5255	5.4970	6.0797	5.8024	6.1512	6.7166	6.7166	6.1512	5.8024	6.0797	6.6771	6.9688	7.1202	6.9688	6.6771	6.5228	5.8024	5.2179	5.4184	4.5255	4.5255	3.5861	4.1267	5.2179	5.4184	6.1512	6.1512	6.6771	6.9823	6.6771	6.5228	5.8024	5.4970	4.5255	3.7060	2.4726	2.8549	4.1267	4.8447
C16	2.8549	2.4726	3.7060	4.5255	4.1267	4.8447	5.8024	6.0797	5.4970	5.8024	5.2179	4.1267	3.5861	2.3630	1.4604		1.4604	2.3630	3.5861	4.5255	4.5255	5.4184	6.1512	6.6771	6.5228	6.6771	6.9688	6.7166	6.1512	5.4970	5.4970	6.1512	6.7166	6.9688	7.1202	6.9823	6.6771	6.1512	5.4184	5.2179	4.1267	3.7060	2.4726	2.8549	4.1267	4.5255	5.4970	5.8024	6.5228	6.6771	6.0797	5.8024	4.8447	4.6193	3.5861	2.4726	1.3945	2.4726	3.5861	4.6193
C17	4.1267	3.5861	4.5255	5.4184	5.2179	5.8024	6.5228	6.6771	6.1512	6.1512	5.4184	4.5255	3.5861	2.3630	2.3630	1.4604		1.4604	2.4726	3.7060	4.1267	5.2179	5.8024	6.5228	6.6771	6.9823	7.1202	6.9688	6.6771	6.0797	5.8024	6.1512	6.7166	6.7166	6.9688	6.6771	6.0797	5.4970	4.5255	4.1267	2.8549	2.4726	1.3945	2.4726	3.5861	3.5861	4.6193	4.8447	5.8024	6.1512	5.4970	5.4970	4.6193	4.8447	4.1267	2.8549	2.4726	3.7060	4.5255	5.4970
C18	4.5255	3.5861	4.1267	5.2179	5.4184	6.1512	6.6771	6.5228	5.8024	5.4970	4.5255	3.7060	2.4726	1.4604	2.3630	2.3630	1.4604		1.3945	2.4726	2.8549	4.1267	4.8447	5.8024	6.0797	6.6771	6.9688	7.1202	6.9823	6.6771	6.5228	6.6771	6.9688	6.7166	6.7166	6.1512	5.4970	4.6193	3.5861	3.5861	2.4726	2.8549	2.4726	3.7060	4.5255	4.1267	4.8447	4.6193	5.4970	6.1512	5.8024	6.0797	5.4970	5.8024	5.2179	4.1267	3.5861	4.5255	5.4184	6.1512
C19	5.4970	4.6193	4.8447	5.8024	6.1512	6.7166	6.9688	6.6771	6.0797	5.4970	4.5255	4.1267	2.8549	2.4726	3.5861	3.5861	2.4726	1.3945		1.4604	2.4726	3.7060	4.1267	5.2179	5.8024	6.5228	6.6771	6.9823	7.1202	6.9688	6.6771	6.5228	6.6771	6.1512	6.1512	5.4184	4.5255	3.5861	2.3630	2.3630	1.4604	2.4726	2.8549	4.1267	4.5255	3.7060	4.1267	3.5861	4.5255	5.4184	5.2179	5.8024	5.4970	6.0797	5.8024	4.8447	4.6193	5.4970	6.1512	6.7166
C20	5.8024	4.8447	4.6193	5.4970	6.1512	6.7166	6.7166	6.1512	5.4970	4.6193	3.5861	3.5861	2.4726	2.8549	4.1267	4.5255	3.7060	2.4726	1.4604		1.3945	2.4726	2.8549	4.1267	4.8447	5.8024	6.0797	6.6771	6.9688	7.1202	6.9823	6.6771	6.5228	5.8024	5.4970	4.5255	3.7060	2.4726	1.4604	2.3630	2.3630	3.5861	4.1267	5.2179	5.4184	4.5255	4.5255	3.5861	4.1267	5.2179	5.4184	6.1512	6.1512	6.6771	6.5228	5.8024	5.4970	6.0797	6.6771	6.9688
C21	5.2179	4.1267	3.5861	4.5255	5.4184	6.1512	6.1512	5.4184	4.5255	3.5861	2.3630	2.3630	1.4604	2.4726	3.7060	4.5255	4.1267	2.8549	2.4726	1.3945		1.4604	2.4726	3.7060	4.1267	5.2179	5.8024	6.5228	6.6771	6.9823	7.1202	6.9688	6.6771	6.0797	5.4970	4.5255	4.1267	2.8549	2.4726	3.5861	3.5861	4.6193	4.8447	5.8024	6.1512	5.4970	5.4970	4.6193	4.8447	5.8024	6.1512	6.7166	6.7166	6.9688	6.6771	6.0797	5.4970	5.8024	6.5228	6.6771
C22	5.4184	4.5255	3.5861	4.1267	5.2179	5.8024	5.4970	4.5255	3.7060	2.4726	1.4604	2.3630	2.3630	3.5861	4.5255	5.4184	5.2179	4.1267	3.7060	2.4726	1.4604		1.3945	2.4726	2.8549	4.1267	4.8447	5.8024	6.0797	6.6771	6.9688	6.7166	6.1512	5.4970	4.6193	3.5861	3.5861	2.4726	2.8549	4.1267	4.5255	5.4970	5.8024	6.5228	6.6771	6.0797	5.8024	4.8447	4.6193	5.4970	6.1512	6.7166	6.9688	7.1202	6.9823	6.6771	6.1512	6.1512	6.6771	6.5228
C23	6.1512	5.4970	4.6193	4.8447	5.8024	6.0797	5.4970	4.5255	4.1267	2.8549	2.4726	3.5861	3.5861	4.6193	5.4970	6.1512	5.8024	4.8447	4.1267	2.8549	2.4726	1.3945		1.4604	2.4726	3.7060	4.1267	5.2179	5.8024	6.5228	6.6771	6.1512	5.4184	4.5255	3.5861	2.3630	2.3630	1.4604	2.4726	3.7060	4.5255	5.4970	6.0797	6.6771	6.5228	5.8024	5.2179	4.1267	3.5861	4.5255	5.4184	6.1512	6.6771	6.9823	7.1202	6.9688	6.7166	6.7166	6.9688	6.6771
C24	6.1512	5.8024	4.8447	4.6193	5.4970	5.4970	4.6193	3.5861	3.5861	2.4726	2.8549	4.1267	4.5255	5.4970	6.0797	6.6771	6.5228	5.8024	5.2179	4.1267	3.7060	2.4726	1.4604		1.3945	2.4726	2.8549	4.1267	4.8447	5.8024	6.0797	5.4970	4.5255	3.7060	2.4726	1.4604	2.3630	2.3630	3.5861	4.5255	5.4184	6.1512	6.6771	6.9823	6.6771	6.1512	5.4184	4.5255	3.5861	4.1267	5.2179	5.8024	6.5228	6.6771	6.9688	7.1202	6.9688	6.7166	6.7166	6.1512
C25	5.4184	5.2179	4.1267	3.5861	4.5255	4.5255	3.5861	2.3630	2.3630	1.4604	2.4726	3.7060	4.5255	5.4970	5.8024	6.5228	6.6771	6.0797	5.8024	4.8447	4.1267	2.8549	2.4726	1.3945		1.4604	2.4726	3.7060	4.1267	5.2179	5.8024	5.4970	4.5255	4.1267	2.8549	2.4726	3.5861	3.5861	4.6193	5.4970	6.1512	6.7166	6.9688	7.1202	6.9688	6.7166	6.1512	5.4970	4.6193	4.8447	5.8024	6.0797	6.6771	6.5228	6.6771	6.9823	6.6771	6.1512	6.1512	5.4184
C26	5.2179	5.4184	4.5255	3.5861	4.1267	3.7060	2.4726	1.4604	2.3630	2.3630	3.5861	4.5255	5.4184	6.1512	6.1512	6.6771	6.9823	6.6771	6.5228	5.8024	5.2179	4.1267	3.7060	2.4726	1.4604		1.3945	2.4726	2.8549	4.1267	4.8447	4.6193	3.5861	3.5861	2.4726	2.8549	4.1267	4.5255	5.4970	6.0797	6.6771	6.9688	7.1202	6.9688	6.7166	6.7166	6.1512	5.8024	4.8447	4.6193	5.4970	5.4970	6.1512	5.8024	6.0797	6.6771	6.5228	5.8024	5.4970	4.5255
C27	5.8024	6.1512	5.4970	4.6193	4.8447	4.1267	2.8549	2.4726	3.5861	3.5861	4.6193	5.4970	6.1512	6.7166	6.7166	6.9688	7.1202	6.9688	6.6771	6.0797	5.8024	4.8447	4.1267	2.8549	2.4726	1.3945		1.4604	2.4726	3.7060	4.1267	3.5861	2.3630	2.3630	1.4604	2.4726	3.7060	4.5255	5.4970	5.8024	6.5228	6.6771	6.9823	6.6771	6.1512	6.1512	5.4184	5.2179	4.1267	3.5861	4.5255	4.5255	5.4184	5.2179	5.8024	6.5228	6.6771	6.0797	5.4970	4.5255
C28	5.4970	6.1512	5.8024	4.8447	4.6193	3.5861	2.4726	2.8549	4.1267	4.5255	5.4970	6.0797	6.6771	6.9688	6.7166	6.7166	6.9688	7.1202	6.9823	6.6771	6.5228	5.8024	5.2179	4.1267	3.7060	2.4726	1.4604		1.3945	2.4726	2.8549	2.4726	1.4604	2.3630	2.3630	3.5861	4.5255	5.4184	6.1512	6.1512	6.6771	6.5228	6.6771	6.0797	5.4970	5.8024	5.2179	5.4184	4.5255	3.5861	4.1267	3.7060	4.5255	4.1267	4.8447	5.8024	6.1512	5.4970	4.6193	3.5861
C29	4.5255	5.4184	5.2179	4.1267	3.5861	2.3630	1.4604	2.4726	3.7060	4.5255	5.4970	5.8024	6.5228	6.6771	6.1512	6.1512	6.6771	6.9823	7.1202	6.9688	6.6771	6.0797	5.8024	4.8447	4.1267	2.8549	2.4726	1.3945		1.4604	2.4726	2.8549	2.4726	3.5861	3.5861	4.6193	5.4970	6.1512	6.7166	6.7166	6.9688	6.6771	6.5228	5.8024	5.4970	6.0797	5.8024	6.1512	5.4970	4.6193	4.8447	4.1267	4.5255	3.7060	4.1267	5.2179	5.4184	4.5255	3.5861	2.3630
C30	4.1267	5.2179	5.4184	4.5255	3.5861	2.3630	2.3630	3.5861	4.5255	5.4184	6.1512	6.1512	6.6771	6.5228	5.8024	5.4970	6.0797	6.6771	6.9688	7.1202	6.9823	6.6771	6.5228	5.8024	5.2179	4.1267	3.7060	2.4726	1.4604		1.3945	2.4726	2.8549	4.1267	4.5255	5.4970	6.0797	6.6771	6.9688	6.7166	6.7166	6.1512	5.8024	4.8447	4.6193	5.4970	5.4970	6.1512	5.8024	4.8447	4.6193	3.5861	3.5861	2.4726	2.8549	4.1267	4.5255	3.7060	2.4726	1.4604
C31	4.8447	5.8024	6.1512	5.4970	4.6193	3.5861	3.5861	4.6193	5.4970	6.1512	6.7166	6.7166	6.9688	6.6771	6.0797	5.4970	5.8024	6.5228	6.6771	6.9823	7.1202	6.9688	6.6771	6.0797	5.8024	4.8447	4.1267	2.8549	2.4726	1.3945		1.4604	2.4726	3.7060	4.5255	5.4970	5.8024	6.5228	6.6771	6.1512	6.1512	5.4184	5.2179	4.1267	3.5861	4.5255	4.5255	5.4184	5.2179	4.1267	3.5861	2.3630	2.3630	1.4604	2.4726	3.7060	4.5255	4.1267	2.8549	2.4726
C32	5.8024	6.5228	6.6771	6.0797	5.4970	4.5255	4.1267	4.8447	5.8024	6.1512	6.7166	6.9688	7.1202	6.9823	6.6771	6.1512	6.1512	6.6771	6.5228	6.6771	6.9688	6.7166	6.1512	5.4970	5.4970	4.6193	3.5861	2.4726	2.8549	2.4726	1.4604		1.3945	2.4726	3.5861	4.6193	4.8447	5.8024	6.0797	5.4970	5.8024	5.2179	5.4184	4.5255	3.5861	4.1267	3.7060	4.5255	4.1267	2.8549	2.4726	1.4604	2.3630	2.3630	3.5861	4.5255	5.4184	5.2179	4.1267	3.7060
C33	6.0797	6.6771	6.5228	5.8024	5.4970	4.5255	3.7060	4.1267	5.2179	5.4184	6.1512	6.6771	6.9823	7.1202	6.9688	6.7166	6.7166	6.9688	6.6771	6.5228	6.6771	6.1512	5.4184	4.5255	4.5255	3.5861	2.3630	1.4604	2.4726	2.8549	2.4726	1.3945		1.4604	2.3630	3.5861	4.1267	5.2179	5.8024	5.4970	6.0797	5.8024	6.1512	5.4970	4.6193	4.8447	4.1267	4.5255	3.7060	2.4726	2.8549	2.4726	3.5861	3.5861	4.6193	5.4970	6.1512	5.8024	4.8447	4.1267
C34	6.6771	6.9823	6.6771	6.1512	6.1512	5.4184	4.5255	4.5255	5.4184	5.2179	5.8024	6.5228	6.6771	6.9688	7.1202	6.9688	6.7166	6.7166	6.1512	5.8024	6.0797	5.4970	4.5255	3.7060	4.1267	3.5861	2.3630	2.3630	3.5861	4.1267	3.7060	2.4726	1.4604		1.4604	2.4726	2.8549	4.1267	4.8447	4.6193	5.4970	5.4970	6.1512	5.8024	4.8447	4.6193	3.5861	3.5861	2.4726	1.3945	2.4726	2.8549	4.1267	4.5255	5.4970	6.0797	6.6771	6.5228	5.8024	5.2179
C35	6.5228	6.6771	6.0797	5.4970	5.8024	5.2179	4.1267	3.7060	4.5255	4.1267	4.8447	5.8024	6.1512	6.7166	6.9688	7.1202	6.9688	6.7166	6.1512	5.4970	5.4970	4.6193	3.5861	2.4726	2.8549	2.4726	1.4604	2.3630	3.5861	4.5255	4.5255	3.5861	2.3630	1.4604		1.3945	2.4726	3.5861	4.6193	4.8447	5.8024	6.0797	6.6771	6.5228	5.8024	5.4970	4.5255	4.1267	2.8549	2.4726	3.7060	4.1267	5.2179	5.4184	6.1512	6.6771	6.9823	6.6771	6.1512	5.4184
C36	6.6771	6.5228	5.8024	5.4970	6.0797	5.8024	4.8447	4.1267	4.5255	3.7060	4.1267	5.2179	5.4184	6.1512	6.6771	6.9823	6.6771	6.1512	5.4184	4.5255	4.5255	3.5861	2.3630	1.4604	2.4726	2.8549	2.4726	3.5861	4.6193	5.4970	5.4970	4.6193	3.5861	2.4726	1.3945		1.4604	2.3630	3.5861	4.1267	5.2179	5.8024	6.5228	6.6771	6.0797	5.4970	4.5255	3.7060	2.4726	2.8549	4.1267	4.8447	5.8024	6.1512	6.7166	6.9688	7.1202	6.9688	6.7166	6.1512
C37	6.9823	6.6771	6.1512	6.1512	6.6771	6.5228	5.8024	5.2179	5.4184	4.5255	4.5255	5.4184	5.2179	5.8024	6.5228	6.6771	6.0797	5.4970	4.5255	3.7060	4.1267	3.5861	2.3630	2.3630	3.5861	4.1267	3.7060	4.5255	5.4970	6.0797	5.8024	4.8447	4.1267	2.8549	2.4726	1.4604		1.4604	2.4726	2.8549	4.1267	4.8447	5.8024	6.1512	5.4970	4.6193	3.5861	2.4726	1.3945	2.4726	3.5861	4.6193	5.4970	6.1512	6.7166	6.7166	6.9688	7.1202	6.9688	6.6771
C38	6.6771	6.0797	5.4970	5.8024	6.5228	6.6771	6.1512	5.4184	5.2179	4.1267	3.7060	4.5255	4.1267	4.8447	5.8024	6.1512	5.4970	4.6193	3.5861	2.4726	2.8549	2.4726	1.4604	2.3630	3.5861	4.5255	4.5255	5.4184	6.1512	6.6771	6.5228	5.8024	5.2179	4.1267	3.5861	2.3630	1.4604		1.3945	2.4726	3.5861	4.6193	5.4970	6.1512	5.8024	4.8447	4.1267	2.8549	2.4726	3.7060	4.5255	5.4970	6.0797	6.6771	6.9688	6.7166	6.7166	6.9688	7.1202	6.9823
C39	6.5228	5.8024	5.4970	6.0797	6.6771	6.9688	6.7166	6.1512	5.8024	4.8447	4.1267	4.5255	3.7060	4.1267	5.2179	5.4184	4.5255	3.5861	2.3630	1.4604	2.4726	2.8549	2.4726	3.5861	4.6193	5.4970	5.4970	6.1512	6.7166	6.9688	6.6771	6.0797	5.8024	4.8447	4.6193	3.5861	2.4726	1.3945		1.4604	2.3630	3.5861	4.5255	5.4184	5.2179	4.1267	3.7060	2.4726	2.8549	4.1267	4.5255	5.4970	5.8024	6.5228	6.6771	6.1512	6.1512	6.6771	6.9823	7.1202
C40	6.6771	6.1512	6.1512	6.6771	6.9823	7.1202	6.9688	6.6771	6.5228	5.8024	5.2179	5.4184	4.5255	4.5255	5.4184	5.2179	4.1267	3.5861	2.3630	2.3630	3.5861	4.1267	3.7060	4.5255	5.4970	6.0797	5.8024	6.1512	6.7166	6.7166	6.1512	5.4970	5.4970	4.6193	4.8447	4.1267	2.8549	2.4726	1.4604		1.4604	2.4726	3.7060	4.5255	4.1267	2.8549	2.4726	1.3945	2.4726	3.5861	3.5861	4.6193	4.8447	5.8024	6.0797	5.4970	5.8024	6.5228	6.6771	6.9688
C41	6.0797	5.4970	5.8024	6.5228	6.6771	6.9688	7.1202	6.9823	6.6771	6.1512	5.4184	5.2179	4.1267	3.7060	4.5255	4.1267	2.8549	2.4726	1.4604	2.3630	3.5861	4.5255	4.5255	5.4184	6.1512	6.6771	6.5228	6.6771	6.9688	6.7166	6.1512	5.8024	6.0797	5.4970	5.8024	5.2179	4.1267	3.5861	2.3630	1.4604		1.3945	2.4726	3.5861	3.5861	2.4726	2.8549	2.4726	3.7060	4.5255	4.1267	4.8447	4.6193	5.4970	5.4970	4.6193	4.8447	5.8024	6.1512	6.7166
C42	5.8024	5.4970	6.0797	6.6771	6.5228	6.6771	6.9823	7.1202	6.9688	6.7166	6.1512	5.8024	4.8447	4.1267	4.5255	3.7060	2.4726	2.8549	2.4726	3.5861	4.6193	5.4970	5.4970	6.1512	6.7166	6.9688	6.6771	6.5228	6.6771	6.1512	5.4184	5.2179	5.8024	5.4970	6.0797	5.8024	4.8447	4.6193	3.5861	2.4726	1.3945		1.4604	2.3630	2.3630	1.4604	2.4726	2.8549	4.1267	4.5255	3.7060	4.1267	3.5861	4.5255	4.5255	3.5861	4.1267	5.2179	5.4184	6.1512
C43	4.8447	4.6193	5.4970	6.1512	5.8024	6.0797	6.6771	6.9688	6.7166	6.7166	6.1512	5.4970	4.6193	3.5861	3.5861	2.4726	1.3945	2.4726	2.8549	4.1267	4.8447	5.8024	6.0797	6.6771	6.9688	7.1202	6.9823	6.6771	6.5228	5.8024	5.2179	5.4184	6.1512	6.1512	6.6771	6.5228	5.8024	5.4970	4.5255	3.7060	2.4726	1.4604		1.4604	2.3630	2.3630	3.5861	4.1267	5.2179	5.4184	4.5255	4.5255	3.5861	4.1267	3.7060	2.4726	2.8549	4.1267	4.5255	5.4970
C44	4.6193	4.8447	5.8024	6.1512	5.4970	5.4970	6.1512	6.7166	6.7166	6.9688	6.6771	6.0797	5.4970	4.5255	4.1267	2.8549	2.4726	3.7060	4.1267	5.2179	5.8024	6.5228	6.6771	6.9823	7.1202	6.9688	6.6771	6.0797	5.8024	4.8447	4.1267	4.5255	5.4970	5.8024	6.5228	6.6771	6.1512	6.1512	5.4184	4.5255	3.5861	2.3630	1.4604		1.4604	2.3630	3.5861	4.5255	5.4184	5.2179	4.1267	3.7060	2.4726	2.8549	2.4726	1.3945	2.4726	3.5861	3.5861	4.6193
C45	5.4970	5.8024	6.5228	6.6771	6.0797	5.8024	6.1512	6.7166	6.9688	7.1202	6.9823	6.6771	6.1512	5.4184	5.2179	4.1267	3.5861	4.5255	4.5255	5.4184	6.1512	6.6771	6.5228	6.6771	6.9688	6.7166	6.1512	5.4970	5.4970	4.6193	3.5861	3.5861	4.6193	4.8447	5.8024	6.0797	5.4970	5.8024	5.2179	4.1267	3.5861	2.3630	2.3630	1.4604		1.4604	2.4726	3.7060	4.5255	4.1267	2.8549	2.4726	1.3945	2.4726	2.8549	2.4726	3.7060	4.5255	4.1267	4.8447
C46	6.1512	6.1512	6.6771	6.9823	6.6771	6.5228	6.6771	6.9688	7.1202	6.9688	6.6771	6.5228	5.8024	5.2179	5.4184	4.5255	3.5861	4.1267	3.7060	4.5255	5.4970	6.0797	5.8024	6.1512	6.7166	6.7166	6.1512	5.8024	6.0797	5.4970	4.5255	4.1267	4.8447	4.6193	5.4970	5.4970	4.6193	4.8447	4.1267	2.8549	2.4726	1.4604	2.3630	2.3630	1.4604		1.3945	2.4726	3.5861	3.5861	2.4726	2.8549	2.4726	3.7060	4.1267	3.5861	4.5255	5.4184	5.2179	5.8024
C47	6.7166	6.7166	6.9688	7.1202	6.9688	6.6771	6.5228	6.6771	6.9823	6.6771	6.5228	6.6771	6.0797	5.8024	6.1512	5.4970	4.6193	4.8447	4.1267	4.5255	5.4970	5.8024	5.2179	5.4184	6.1512	6.1512	5.4184	5.2179	5.8024	5.4970	4.5255	3.7060	4.1267	3.5861	4.5255	4.5255	3.5861	4.1267	3.7060	2.4726	2.8549	2.4726	3.5861	3.5861	2.4726	1.3945		1.4604	2.3630	2.3630	1.4604	2.4726	2.8549	4.1267	4.8447	4.6193	5.4970	6.1512	5.8024	6.0797
C48	6.9688	6.7166	6.7166	6.9688	7.1202	6.9823	6.6771	6.5228	6.6771	6.0797	5.8024	6.1512	5.4970	5.4970	6.1512	5.8024	4.8447	4.6193	3.5861	3.5861	4.6193	4.8447	4.1267	4.5255	5.4970	5.8024	5.2179	5.4184	6.1512	6.1512	5.4184	4.5255	4.5255	3.5861	4.1267	3.7060	2.4726	2.8549	2.4726	1.3945	2.4726	2.8549	4.1267	4.5255	3.7060	2.4726	1.4604		1.4604	2.3630	2.3630	3.5861	4.1267	5.2179	5.8024	5.4970	6.0797	6.6771	6.5228	6.6771
C49	7.1202	6.9688	6.7166	6.7166	6.9688	6.6771	6.0797	5.8024	6.1512	5.4970	5.4970	6.1512	5.8024	6.0797	6.6771	6.5228	5.8024	5.4970	4.5255	4.1267	4.8447	4.6193	3.5861	3.5861	4.6193	4.8447	4.1267	4.5255	5.4970	5.8024	5.2179	4.1267	3.7060	2.4726	2.8549	2.4726	1.3945	2.4726	2.8549	2.4726	3.7060	4.1267	5.2179	5.4184	4.5255	3.5861	2.3630	1.4604		1.4604	2.3630	3.5861	4.5255	5.4184	6.1512	6.1512	6.6771	6.9823	6.6771	6.5228
C50	6.9688	7.1202	6.9688	6.7166	6.7166	6.1512	5.4970	5.4970	6.1512	5.8024	6.0797	6.6771	6.5228	6.6771	6.9823	6.6771	6.1512	6.1512	5.4184	5.2179	5.8024	5.4970	4.5255	4.1267	4.8447	4.6193	3.5861	3.5861	4.6193	4.8447	4.1267	2.8549	2.4726	1.3945	2.4726	2.8549	2.4726	3.7060	4.1267	3.5861	4.5255	4.5255	5.4184	5.2179	4.1267	3.5861	2.3630	2.3630	1.4604		1.4604	2.4726	3.7060	4.5255	5.4970	5.8024	6.5228	6.6771	6.0797	5.8024
C51	6.7166	6.9688	7.1202	6.9688	6.7166	6.1512	5.8024	6.0797	6.6771	6.5228	6.6771	6.9823	6.6771	6.5228	6.6771	6.0797	5.4970	5.8024	5.2179	5.4184	6.1512	6.1512	5.4184	5.2179	5.8024	5.4970	4.5255	4.1267	4.8447	4.6193	3.5861	2.4726	2.8549	2.4726	3.7060	4.1267	3.5861	4.5255	4.5255	3.5861	4.1267	3.7060	4.5255	4.1267	2.8549	2.4726	1.4604	2.3630	2.3630	1.4604		1.3945	2.4726	3.5861	4.6193	4.8447	5.8024	6.1512	5.4970	5.4970
C52	6.1512	6.6771	6.9823	6.6771	6.1512	5.4184	5.2179	5.8024	6.5228	6.6771	6.9688	7.1202	6.9688	6.6771	6.5228	5.8024	5.4970	6.0797	5.8024	6.1512	6.7166	6.7166	6.1512	5.8024	6.0797	5.4970	4.5255	3.7060	4.1267	3.5861	2.3630	1.4604	2.4726	2.8549	4.1267	4.8447	4.6193	5.4970	5.4970	4.6193	4.8447	4.1267	4.5255	3.7060	2.4726	2.8549	2.4726	3.5861	3.5861	2.4726	1.3945		1.4604	2.3630	3.5861	4.1267	5.2179	5.4184	4.5255	4.5255
C53	5.4970	6.0797	6.6771	6.5228	5.8024	5.2179	5.4184	6.1512	6.6771	6.9823	7.1202	6.9688	6.7166	6.1512	5.8024	4.8447	4.6193	5.4970	5.4970	6.1512	6.7166	6.9688	6.6771	6.5228	6.6771	6.1512	5.4184	4.5255	4.5255	3.5861	2.3630	2.3630	3.5861	4.1267	5.2179	5.8024	5.4970	6.0797	5.8024	4.8447	4.6193	3.5861	3.5861	2.4726	1.3945	2.4726	2.8549	4.1267	4.5255	3.7060	2.4726	1.4604		1.4604	2.4726	2.8549	4.1267	4.5255	3.7060	4.1267
C54	4.6193	5.4970	6.1512	5.8024	4.8447	4.1267	4.5255	5.4970	6.0797	6.6771	6.9688	6.7166	6.7166	6.1512	5.4970	4.6193	4.8447	5.8024	6.0797	6.6771	6.9688	7.1202	6.9823	6.6771	6.5228	5.8024	5.2179	4.1267	3.7060	2.4726	1.4604	2.3630	3.5861	4.5255	5.4184	6.1512	6.1512	6.6771	6.5228	5.8024	5.4970	4.5255	4.1267	2.8549	2.4726	3.7060	4.1267	5.2179	5.4184	4.5255	3.5861	2.3630	1.4604		1.3945	2.4726	3.5861	3.5861	2.4726	2.8549
C55	3.5861	4.5255	5.4184	5.2179	4.1267	3.7060	4.5255	5.4970	5.8024	6.5228	6.6771	6.1512	6.1512	5.4184	4.5255	3.5861	4.1267	5.2179	5.8024	6.5228	6.6771	6.9823	7.1202	6.9688	6.6771	6.0797	5.8024	4.8447	4.1267	2.8549	2.4726	3.5861	4.6193	5.4970	6.1512	6.7166	6.7166	6.9688	6.6771	6.0797	5.4970	4.5255	3.7060	2.4726	2.8549	4.1267	4.8447	5.8024	6.1512	5.4970	4.6193	3.5861	2.4726	1.3945		1.4604	2.3630	2.3630	1.4604	2.4726
C56	3.5861	4.1267	5.2179	5.4184	4.5255	4.5255	5.4184	6.1512	6.1512	6.6771	6.5228	5.8024	5.4970	4.5255	3.7060	2.4726	2.8549	4.1267	4.8447	5.8024	6.0797	6.6771	6.9688	7.1202	6.9823	6.6771	6.5228	5.8024	5.2179	4.1267	3.7060	4.5255	5.4970	6.0797	6.6771	6.9688	6.7166	6.7166	6.1512	5.4970	4.6193	3.5861	2.4726	1.3945	2.4726	3.5861	4.6193	5.4970	6.1512	5.8024	4.8447	4.1267	2.8549	2.4726	1.4604		1.4604	2.3630	2.3630	3.5861
C57	2.4726	2.8549	4.1267	4.5255	3.7060	4.1267	5.2179	5.8024	5.4970	6.0797	5.8024	4.8447	4.6193	3.5861	2.4726	1.3945	2.4726	3.5861	4.6193	5.4970	5.4970	6.1512	6.7166	6.9688	6.6771	6.5228	6.6771	6.1512	5.4184	4.5255	4.5255	5.4184	6.1512	6.6771	6.9823	7.1202	6.9688	6.7166	6.1512	5.8024	4.8447	4.1267	2.8549	2.4726	3.7060	4.5255	5.4970	6.0797	6.6771	6.5228	5.8024	5.2179	4.1267	3.5861	2.3630	1.4604		1.4604	2.3630	3.5861
C58	1.3945	2.4726	3.5861	3.5861	2.4726	2.8549	4.1267	4.8447	4.6193	5.4970	5.4970	4.6193	4.8447	4.1267	2.8549	2.4726	3.7060	4.5255	5.4970	6.0797	5.8024	6.1512	6.7166	6.7166	6.1512	5.8024	6.0797	5.4970	4.5255	3.7060	4.1267	5.2179	5.8024	6.5228	6.6771	6.9688	7.1202	6.9688	6.6771	6.5228	5.8024	5.2179	4.1267	3.5861	4.5255	5.4184	6.1512	6.6771	6.9823	6.6771	6.1512	5.4184	4.5255	3.5861	2.3630	2.3630	1.4604		1.4604	2.4726
C59	2.4726	3.7060	4.5255	4.1267	2.8549	2.4726	3.5861	4.6193	4.8447	5.8024	6.0797	5.4970	5.8024	5.2179	4.1267	3.5861	4.5255	5.4184	6.1512	6.6771	6.5228	6.6771	6.9688	6.7166	6.1512	5.4970	5.4970	4.6193	3.5861	2.4726	2.8549	4.1267	4.8447	5.8024	6.1512	6.7166	6.9688	7.1202	6.9823	6.6771	6.1512	5.4184	4.5255	3.5861	4.1267	5.2179	5.8024	6.5228	6.6771	6.0797	5.4970	4.5255	3.7060	2.4726	1.4604	2.3630	2.3630	1.4604		1.3945
C60	2.8549	4.1267	4.5255	3.7060	2.4726	1.4604	2.3630	3.5861	4.1267	5.2179	5.8024	5.4970	6.0797	5.8024	4.8447	4.6193	5.4970	6.1512	6.7166	6.9688	6.6771	6.5228	6.6771	6.1512	5.4184	4.5255	4.5255	3.5861	2.3630	1.4604	2.4726	3.7060	4.1267	5.2179	5.4184	6.1512	6.6771	6.9823	7.1202	6.9688	6.7166	6.1512	5.4970	4.6193	4.8447	5.8024	6.0797	6.6771	6.5228	5.8024	5.4970	4.5255	4.1267	2.8549	2.4726	3.5861	3.5861	2.4726	1.3945

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 TPSSh/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

Polarizabilities
Components of the polarizability tensor.
Units are ų (Angstrom cubed)
Change units.

	x	y	z
x	66.026	0.000	0.000
y	0.000	66.027	-0.000
z	0.000	-0.000	66.027

<r²> (average value of r²) Ų

<r2>	4776.452
(<r2>)1/2	69.112