All results from a given calculation for C₆₀ (Buckminsterfullerene)

Energy calculated at B2PLYP/6-31G

	hartrees
Energy at 0K	-2282.580512
Energy at 298.15K	-2282.579002
HF Energy	-2280.712833
Nuclear repulsion energy	8279.514734

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 B2PLYP/6-31G

Mode Number	Symmetry	Frequency (cm-1)	Scaled Frequency (cm-1)	IR Intensities (km mol-1)	Raman Act (Å4/u)	Dep P	Dep U
1	?a	546	546	0.15
2	?a	546	546	0.02
3	?a	546	546	0.08
4	?a	546	546	0.01
4	?a	546	546	0.02
4	?a	546	546	24.74
5	?a	546	546	24.75
5	?a	546	546	24.80
5	?b	578	578	0.00
6	?b	578	578	0.00
6	?b	578	578	0.00
6	?b	575	575	0.00
7	?b	575	575	0.00
7	?b	575	575	0.00
7	?c	728	728	0.00
8	?c	728	728	0.00
8	?c	728	728	0.00
8	?c	728	728	0.00
9	?c	728	728	0.00
9	?c	724	724	0.00
9	?c	724	724	0.00
10	?c	724	724	0.00
10	?c	720	720	0.00
10	?c	720	720	0.00
11	?c	720	720	0.00
11	?c	720	720	0.00
11	?c	717	717	0.00
12	?c	717	717	0.00
12	?c	717	717	0.00
12	?c	717	717	0.00
13	?c	717	717	0.00
13	?d	984	984	0.00
13	?d	984	984	0.00
14	?d	984	984	0.00
14	?d	979	979	0.00
14	?d	979	979	0.00
15	?d	979	979	0.00
15	?d	979	979	0.00
15	?e	1206	1206	0.00
16	?e	1206	1206	0.00
16	?e	1206	1206	0.00
16	?e	1199	1199	10.53
17	?e	1199	1199	10.53
17	?e	1199	1199	10.52
17	?f	1479	1479	15.27
18	?f	1479	1479	15.27
18	?f	1479	1479	15.27
81	?f	1466	1466	0.00
19	?f	1466	1466	0.00
19	?f	1466	1466	0.00
19	?f	1466	1466	0.00
20	Ag	1519	1519	0.00
20	Au	972	972	0.00
20	T1g	1291	1291	0.00
20	T1g	1291	1291	0.00
21	T1g	1291	1291	0.00
21	T1g	846	846	0.00
21	T1g	846	846	0.00
21	T1g	846	846	0.00
22	T1u	581	581	8.80
22	T1u	581	581	8.81
22	T1u	581	581	8.81
22	T2g	1363	1363	0.00
23	T2g	1363	1363	0.00
23	T2g	1363	1363	0.00
23	T2g	822	822	0.00
23	T2g	822	822	0.00
24	T2g	822	822	0.00
24	T2g	632	632	0.00
24	T2g	632	632	0.00
24	T2g	632	632	0.00
25	T2u	1566	1566	0.00
25	T2u	1566	1566	0.00
25	T2u	1566	1566	0.00
25	T2u	353	353	0.00
26	T2u	353	353	0.00
26	T2u	353	353	0.00
26	Gg	1534	1534	0.00
26	Gg	1534	1534	0.00
27	Gg	1534	1534	0.00
27	Gg	1534	1534	0.00
27	Gg	1338	1338	0.00
27	Gg	1338	1338	0.00
28	Gg	1338	1338	0.00
28	Gg	1338	1338	0.00
28	Gg	1105	1105	0.00
28	Gg	1105	1105	0.00
29	Gg	1105	1105	0.00
29	Gg	1105	1105	0.00
29	Gg	592	592	0.00
29	Gg	592	592	0.00
30	Gg	592	592	0.00
30	Gg	592	592	0.00
30	Gu	1336	1336	0.00
30	Gu	1336	1336	0.00
31	Gu	1336	1336	0.00
31	Gu	1336	1336	0.00
31	Gu	779	779	0.00
31	Gu	779	779	0.00
32	Gu	779	779	0.00
32	Gu	779	779	0.00
32	Gu	656	656	0.00
32	Gu	656	656	0.00
32	Gu	656	656	0.00
33	Gu	656	656	0.00
33	Gu	363	363	0.00
33	Gu	363	363	0.00
33	Gu	363	363	0.00
33	Gu	363	363	0.00
34	Hg	1610	1610	0.00
34	Hg	1610	1610	0.00
34	Hg	1610	1610	0.00
34	Hg	1610	1610	0.00
34	Hg	1610	1610	0.00
35	Hg	1465	1465	0.00
35	Hg	1465	1465	0.00
35	Hg	1465	1465	0.00
35	Hg	1465	1465	0.00
35	Hg	1465	1465	0.00
36	Hg	1268	1268	0.00
36	Hg	1268	1268	0.00
36	Hg	1268	1268	0.00
36	Hg	1268	1268	0.00
36	Hg	1268	1268	0.00
37	Hg	1120	1120	0.00
37	Hg	1120	1120	0.00
37	Hg	1120	1120	0.00
37	Hg	1120	1120	0.00
37	Hg	1120	1120	0.00
38	Hg	782	782	0.00
38	Hg	782	782	0.00
38	Hg	782	782	0.00
38	Hg	782	782	0.00
38	Hg	782	782	0.00
39	Hg	495	495	0.00
39	Hg	495	495	0.00
39	Hg	495	495	0.00
39	Hg	495	495	0.00
39	Hg	492	492	0.00
40	Hg	446	446	0.00
40	Hg	446	446	0.00
40	Hg	446	446	0.00
40	Hg	446	446	0.00
40	Hg	446	446	0.00
41	Hg	271	271	0.00
41	Hg	271	271	0.00
41	Hg	271	271	0.00
41	Hg	271	271	0.00
41	Hg	271	271	0.00
42	Hu	1600	1600	0.00
42	Hu	1600	1600	0.00
42	Hu	1600	1600	0.00
42	Hu	1600	1600	0.00
42	Hu	1600	1600	0.00
43	Hu	1361	1361	0.00
43	Hu	1361	1361	0.00
43	Hu	1361	1361	0.00
43	Hu	1361	1361	0.00
43	Hu	1361	1361	0.00
44	Hu	1235	1235	0.00
44	Hu	1235	1235	0.00
44	Hu	1235	1235	0.00
44	Hu	1235	1235	0.00
44	Hu	1235	1235	0.00
45	Hu	684	684	0.00
45	Hu	684	684	0.00
45	Hu	684	684	0.00
45	Hu	684	684	0.00
45	Hu	684	684	0.00
46	Hu	417	417	0.00
46	Hu	417	417	0.00
46	Hu	417	417	0.00
46	Hu	417	417	0.00
46	Hu	417	417	0.00

Unscaled Zero Point Vibrational Energy (zpe) 81951.9 cm^-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 81951.9 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 B2PLYP/6-31G

A	B	C
0.00276	0.00276	0.00276

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

Geometric Data calculated at B2PLYP/6-31G

Point Group is I_h

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.244	3.347
C2	-1.183	0.384	3.347
C3	-0.731	-1.006	3.347
C4	0.731	-1.006	3.347
C5	1.183	0.384	3.347
C6	2.318	0.753	2.609
C7	3.049	-0.253	1.840
C8	2.615	-1.587	1.840
C9	1.433	-1.972	2.609
C10	0.702	-2.978	1.840
C11	-0.702	-2.978	1.840
C12	-1.433	-1.972	2.609
C13	-2.615	-1.587	1.840
C14	-3.049	-0.253	1.840
C15	-2.318	0.753	2.609
C16	-2.318	1.997	1.840
C17	-3.049	1.759	0.597
C18	-3.501	0.369	0.597
C19	-3.501	-0.369	-0.597
C20	-3.049	-1.759	-0.597
C21	-2.615	-2.356	0.597
C22	-1.433	-3.215	0.597
C23	-0.731	-3.443	-0.597
C24	0.731	-3.443	-0.597
C25	1.433	-3.215	0.597
C26	2.615	-2.356	0.597
C27	3.049	-1.759	-0.597
C28	3.501	-0.369	-0.597
C29	3.501	0.369	0.597
C30	3.049	1.759	0.597
C31	2.615	2.356	-0.597
C32	2.615	1.587	-1.840
C33	3.049	0.253	-1.840
C34	2.318	-0.753	-2.609
C35	2.318	-1.997	-1.840
C36	1.183	-2.821	-1.840
C37	0.000	-2.437	-2.609
C38	-1.183	-2.821	-1.840
C39	-2.318	-1.997	-1.840
C40	-2.318	-0.753	-2.609
C41	-3.049	0.253	-1.840
C42	-2.615	1.587	-1.840
C43	-2.615	2.356	-0.597
C44	-1.433	3.215	-0.597
C45	-0.702	2.978	-1.840
C46	-1.433	1.972	-2.609
C47	-0.731	1.006	-3.347
C48	-1.183	-0.384	-3.347
C49	0.000	-1.244	-3.347
C50	1.183	-0.384	-3.347
C51	0.731	1.006	-3.347
C52	1.433	1.972	-2.609
C53	0.702	2.978	-1.840
C54	1.433	3.215	-0.597
C55	0.731	3.443	0.597
C56	-0.731	3.443	0.597
C57	-1.183	2.821	1.840
C58	0.000	2.437	2.609
C59	1.183	2.821	1.840
C60	2.318	1.997	1.840

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		1.4620	2.3655	2.3655	1.4620	2.4814	3.7154	4.1380	3.5964	4.5367	4.5367	3.5964	4.1380	3.7154	2.4814	2.8650	4.1380	4.5367	5.5140	5.8192	5.2306	5.4310	6.1686	6.1686	5.4310	5.2306	5.8192	5.5140	4.5367	4.1380	4.8608	5.8192	6.0977	6.6954	6.5405	6.6954	7.0012	6.6954	6.5405	6.6954	6.0977	5.8192	4.8608	4.6357	5.5140	6.1686	6.7372	6.9892	7.1404	6.9892	6.7372	6.1686	5.5140	4.6357	3.5964	3.5964	2.4814	1.4030	2.4814	2.8650
C2	1.4620		1.4620	2.3655	2.3655	3.5964	4.5367	4.5367	3.5964	4.1380	3.7154	2.4814	2.8650	2.4814	1.4030	2.4814	3.5964	3.5964	4.6357	4.8608	4.1380	4.5367	5.5140	5.8192	5.2306	5.4310	6.1686	6.1686	5.4310	5.2306	5.8192	6.5405	6.6954	7.0012	6.6954	6.5405	6.6954	6.0977	5.8192	6.1686	5.5140	5.5140	4.6357	4.8608	5.8192	6.1686	6.7372	6.7372	6.9892	7.1404	6.9892	6.6954	6.0977	5.5140	4.5367	4.1380	2.8650	2.4814	3.7154	4.1380
C3	2.3655	1.4620		1.4620	2.3655	3.5964	4.1380	3.7154	2.4814	2.8650	2.4814	1.4030	2.4814	2.8650	2.4814	3.7154	4.5367	4.1380	4.8608	4.6357	3.5964	3.5964	4.6357	4.8608	4.1380	4.5367	5.5140	5.8192	5.2306	5.4310	6.1686	6.6954	6.5405	6.6954	6.0977	5.8192	6.1686	5.5140	5.5140	6.1686	5.8192	6.0977	5.5140	5.8192	6.5405	6.6954	6.9892	6.7372	6.7372	6.9892	7.1404	7.0012	6.6954	6.1686	5.4310	5.2306	4.1380	3.5964	4.5367	4.5367
C4	2.3655	2.3655	1.4620		1.4620	2.4814	2.8650	2.4814	1.4030	2.4814	2.8650	2.4814	3.7154	4.1380	3.5964	4.5367	5.4310	5.2306	5.8192	5.5140	4.5367	4.1380	4.8608	4.6357	3.5964	3.5964	4.6357	4.8608	4.1380	4.5367	5.5140	6.0977	5.8192	6.1686	5.5140	5.5140	6.1686	5.8192	6.0977	6.6954	6.5405	6.6954	6.1686	6.1686	6.6954	7.0012	7.1404	6.9892	6.7372	6.7372	6.9892	6.6954	6.5405	5.8192	5.2306	5.4310	4.5367	3.5964	4.1380	3.7154
C5	1.4620	2.3655	2.3655	1.4620		1.4030	2.4814	2.8650	2.4814	3.7154	4.1380	3.5964	4.5367	4.5367	3.5964	4.1380	5.2306	5.4310	6.1686	6.1686	5.4310	5.2306	5.8192	5.5140	4.5367	4.1380	4.8608	4.6357	3.5964	3.5964	4.6357	5.5140	5.5140	6.1686	5.8192	6.0977	6.6954	6.5405	6.6954	7.0012	6.6954	6.5405	5.8192	5.5140	6.0977	6.6954	6.9892	7.1404	6.9892	6.7372	6.7372	6.1686	5.8192	4.8608	4.1380	4.5367	3.7154	2.4814	2.8650	2.4814
C6	2.4814	3.5964	3.5964	2.4814	1.4030		1.4620	2.4814	2.8650	4.1380	4.8608	4.6357	5.5140	5.5140	4.6357	4.8608	5.8192	6.1686	6.7372	6.7372	6.1686	5.8192	6.0977	5.5140	4.5367	3.7154	4.1380	3.5964	2.3655	2.3655	3.5964	4.5367	4.5367	5.4310	5.2306	5.8192	6.5405	6.6954	6.9892	7.1404	6.9892	6.6954	6.0977	5.5140	5.8192	6.5405	6.6954	7.0012	6.6954	6.1686	6.1686	5.4310	5.2306	4.1380	3.7154	4.5367	4.1380	2.8650	2.4814	1.4620
C7	3.7154	4.5367	4.1380	2.8650	2.4814	1.4620		1.4030	2.4814	3.5964	4.6357	4.8608	5.8192	6.0977	5.5140	5.8192	6.5405	6.6954	6.9892	6.7372	6.1686	5.5140	5.5140	4.6357	3.5964	2.4814	2.8650	2.4814	1.4620	2.3655	3.5964	4.1380	3.7154	4.5367	4.1380	4.8608	5.8192	6.1686	6.7372	6.9892	7.1404	7.0012	6.6954	6.1686	6.1686	6.6954	6.5405	6.6954	6.0977	5.5140	5.8192	5.2306	5.4310	4.5367	4.5367	5.4310	5.2306	4.1380	3.5964	2.3655
C8	4.1380	4.5367	3.7154	2.4814	2.8650	2.4814	1.4030		1.4620	2.3655	3.5964	4.1380	5.2306	5.8192	5.5140	6.0977	6.6954	6.5405	6.6954	6.1686	5.4310	4.5367	4.5367	3.5964	2.3655	1.4620	2.4814	2.8650	2.4814	3.5964	4.6357	4.8608	4.1380	4.5367	3.7154	4.1380	5.2306	5.4310	6.1686	6.6954	7.0012	7.1404	6.9892	6.7372	6.7372	6.9892	6.6954	6.5405	5.8192	5.5140	6.0977	5.8192	6.1686	5.5140	5.5140	6.1686	5.8192	4.8608	4.6357	3.5964
C9	3.5964	3.5964	2.4814	1.4030	2.4814	2.8650	2.4814	1.4620		1.4620	2.4814	2.8650	4.1380	4.8608	4.6357	5.5140	6.1686	5.8192	6.0977	5.5140	4.5367	3.7154	4.1380	3.5964	2.3655	2.3655	3.5964	4.1380	3.7154	4.5367	5.5140	5.8192	5.2306	5.4310	4.5367	4.5367	5.4310	5.2306	5.8192	6.5405	6.6954	6.9892	6.7372	6.7372	6.9892	7.1404	7.0012	6.6954	6.1686	6.1686	6.6954	6.5405	6.6954	6.0977	5.8192	6.1686	5.5140	4.6357	4.8608	4.1380
C10	4.5367	4.1380	2.8650	2.4814	3.7154	4.1380	3.5964	2.3655	1.4620		1.4030	2.4814	3.5964	4.6357	4.8608	5.8192	6.1686	5.5140	5.5140	4.6357	3.5964	2.4814	2.8650	2.4814	1.4620	2.3655	3.5964	4.5367	4.5367	5.4310	6.1686	6.1686	5.4310	5.2306	4.1380	3.7154	4.5367	4.1380	4.8608	5.8192	6.1686	6.7372	6.7372	6.9892	7.1404	6.9892	6.6954	6.0977	5.5140	5.8192	6.5405	6.6954	7.0012	6.6954	6.5405	6.6954	6.0977	5.5140	5.8192	5.2306
C11	4.5367	3.7154	2.4814	2.8650	4.1380	4.8608	4.6357	3.5964	2.4814	1.4030		1.4620	2.3655	3.5964	4.1380	5.2306	5.4310	4.5367	4.5367	3.5964	2.3655	1.4620	2.4814	2.8650	2.4814	3.5964	4.6357	5.5140	5.5140	6.1686	6.7372	6.7372	6.1686	5.8192	4.8608	4.1380	4.5367	3.7154	4.1380	5.2306	5.4310	6.1686	6.1686	6.6954	7.0012	6.6954	6.5405	5.8192	5.5140	6.0977	6.6954	6.9892	7.1404	6.9892	6.6954	6.5405	5.8192	5.5140	6.0977	5.8192
C12	3.5964	2.4814	1.4030	2.4814	3.5964	4.6357	4.8608	4.1380	2.8650	2.4814	1.4620		1.4620	2.4814	2.8650	4.1380	4.5367	3.7154	4.1380	3.5964	2.3655	2.3655	3.5964	4.1380	3.7154	4.5367	5.5140	6.0977	5.8192	6.1686	6.7372	6.9892	6.6954	6.5405	5.8192	5.2306	5.4310	4.5367	4.5367	5.4310	5.2306	5.8192	5.5140	6.0977	6.6954	6.5405	6.6954	6.1686	6.1686	6.6954	7.0012	7.1404	6.9892	6.7372	6.1686	5.8192	4.8608	4.6357	5.5140	5.5140
C13	4.1380	2.8650	2.4814	3.7154	4.5367	5.5140	5.8192	5.2306	4.1380	3.5964	2.3655	1.4620		1.4030	2.4814	3.5964	3.5964	2.4814	2.8650	2.4814	1.4620	2.3655	3.5964	4.5367	4.5367	5.4310	6.1686	6.6954	6.5405	6.6954	6.9892	7.1404	7.0012	6.6954	6.1686	5.4310	5.2306	4.1380	3.7154	4.5367	4.1380	4.8608	4.6357	5.5140	6.1686	5.8192	6.0977	5.5140	5.8192	6.5405	6.6954	6.9892	6.7372	6.7372	6.1686	5.5140	4.6357	4.8608	5.8192	6.0977
C14	3.7154	2.4814	2.8650	4.1380	4.5367	5.5140	6.0977	5.8192	4.8608	4.6357	3.5964	2.4814	1.4030		1.4620	2.3655	2.3655	1.4620	2.4814	2.8650	2.4814	3.5964	4.6357	5.5140	5.5140	6.1686	6.7372	6.9892	6.6954	6.5405	6.6954	7.0012	7.1404	6.9892	6.7372	6.1686	5.8192	4.8608	4.1380	4.5367	3.7154	4.1380	3.5964	4.5367	5.4310	5.2306	5.8192	5.5140	6.0977	6.6954	6.5405	6.6954	6.1686	6.1686	5.4310	4.5367	3.5964	4.1380	5.2306	5.8192
C15	2.4814	1.4030	2.4814	3.5964	3.5964	4.6357	5.5140	5.5140	4.6357	4.8608	4.1380	2.8650	2.4814	1.4620		1.4620	2.3655	2.3655	3.5964	4.1380	3.7154	4.5367	5.5140	6.0977	5.8192	6.1686	6.7372	6.7372	6.1686	5.8192	6.0977	6.6954	6.9892	7.1404	6.9892	6.6954	6.5405	5.8192	5.2306	5.4310	4.5367	4.5367	3.5964	4.1380	5.2306	5.4310	6.1686	6.1686	6.6954	7.0012	6.6954	6.5405	5.8192	5.5140	4.5367	3.7154	2.4814	2.8650	4.1380	4.8608
C16	2.8650	2.4814	3.7154	4.5367	4.1380	4.8608	5.8192	6.0977	5.5140	5.8192	5.2306	4.1380	3.5964	2.3655	1.4620		1.4620	2.3655	3.5964	4.5367	4.5367	5.4310	6.1686	6.6954	6.5405	6.6954	6.9892	6.7372	6.1686	5.5140	5.5140	6.1686	6.7372	6.9892	7.1404	7.0012	6.6954	6.1686	5.4310	5.2306	4.1380	3.7154	2.4814	2.8650	4.1380	4.5367	5.5140	5.8192	6.5405	6.6954	6.0977	5.8192	4.8608	4.6357	3.5964	2.4814	1.4030	2.4814	3.5964	4.6357
C17	4.1380	3.5964	4.5367	5.4310	5.2306	5.8192	6.5405	6.6954	6.1686	6.1686	5.4310	4.5367	3.5964	2.3655	2.3655	1.4620		1.4620	2.4814	3.7154	4.1380	5.2306	5.8192	6.5405	6.6954	7.0012	7.1404	6.9892	6.6954	6.0977	5.8192	6.1686	6.7372	6.7372	6.9892	6.6954	6.0977	5.5140	4.5367	4.1380	2.8650	2.4814	1.4030	2.4814	3.5964	3.5964	4.6357	4.8608	5.8192	6.1686	5.5140	5.5140	4.6357	4.8608	4.1380	2.8650	2.4814	3.7154	4.5367	5.5140
C18	4.5367	3.5964	4.1380	5.2306	5.4310	6.1686	6.6954	6.5405	5.8192	5.5140	4.5367	3.7154	2.4814	1.4620	2.3655	2.3655	1.4620		1.4030	2.4814	2.8650	4.1380	4.8608	5.8192	6.0977	6.6954	6.9892	7.1404	7.0012	6.6954	6.5405	6.6954	6.9892	6.7372	6.7372	6.1686	5.5140	4.6357	3.5964	3.5964	2.4814	2.8650	2.4814	3.7154	4.5367	4.1380	4.8608	4.6357	5.5140	6.1686	5.8192	6.0977	5.5140	5.8192	5.2306	4.1380	3.5964	4.5367	5.4310	6.1686
C19	5.5140	4.6357	4.8608	5.8192	6.1686	6.7372	6.9892	6.6954	6.0977	5.5140	4.5367	4.1380	2.8650	2.4814	3.5964	3.5964	2.4814	1.4030		1.4620	2.4814	3.7154	4.1380	5.2306	5.8192	6.5405	6.6954	7.0012	7.1404	6.9892	6.6954	6.5405	6.6954	6.1686	6.1686	5.4310	4.5367	3.5964	2.3655	2.3655	1.4620	2.4814	2.8650	4.1380	4.5367	3.7154	4.1380	3.5964	4.5367	5.4310	5.2306	5.8192	5.5140	6.0977	5.8192	4.8608	4.6357	5.5140	6.1686	6.7372
C20	5.8192	4.8608	4.6357	5.5140	6.1686	6.7372	6.7372	6.1686	5.5140	4.6357	3.5964	3.5964	2.4814	2.8650	4.1380	4.5367	3.7154	2.4814	1.4620		1.4030	2.4814	2.8650	4.1380	4.8608	5.8192	6.0977	6.6954	6.9892	7.1404	7.0012	6.6954	6.5405	5.8192	5.5140	4.5367	3.7154	2.4814	1.4620	2.3655	2.3655	3.5964	4.1380	5.2306	5.4310	4.5367	4.5367	3.5964	4.1380	5.2306	5.4310	6.1686	6.1686	6.6954	6.5405	5.8192	5.5140	6.0977	6.6954	6.9892
C21	5.2306	4.1380	3.5964	4.5367	5.4310	6.1686	6.1686	5.4310	4.5367	3.5964	2.3655	2.3655	1.4620	2.4814	3.7154	4.5367	4.1380	2.8650	2.4814	1.4030		1.4620	2.4814	3.7154	4.1380	5.2306	5.8192	6.5405	6.6954	7.0012	7.1404	6.9892	6.6954	6.0977	5.5140	4.5367	4.1380	2.8650	2.4814	3.5964	3.5964	4.6357	4.8608	5.8192	6.1686	5.5140	5.5140	4.6357	4.8608	5.8192	6.1686	6.7372	6.7372	6.9892	6.6954	6.0977	5.5140	5.8192	6.5405	6.6954
C22	5.4310	4.5367	3.5964	4.1380	5.2306	5.8192	5.5140	4.5367	3.7154	2.4814	1.4620	2.3655	2.3655	3.5964	4.5367	5.4310	5.2306	4.1380	3.7154	2.4814	1.4620		1.4030	2.4814	2.8650	4.1380	4.8608	5.8192	6.0977	6.6954	6.9892	6.7372	6.1686	5.5140	4.6357	3.5964	3.5964	2.4814	2.8650	4.1380	4.5367	5.5140	5.8192	6.5405	6.6954	6.0977	5.8192	4.8608	4.6357	5.5140	6.1686	6.7372	6.9892	7.1404	7.0012	6.6954	6.1686	6.1686	6.6954	6.5405
C23	6.1686	5.5140	4.6357	4.8608	5.8192	6.0977	5.5140	4.5367	4.1380	2.8650	2.4814	3.5964	3.5964	4.6357	5.5140	6.1686	5.8192	4.8608	4.1380	2.8650	2.4814	1.4030		1.4620	2.4814	3.7154	4.1380	5.2306	5.8192	6.5405	6.6954	6.1686	5.4310	4.5367	3.5964	2.3655	2.3655	1.4620	2.4814	3.7154	4.5367	5.5140	6.0977	6.6954	6.5405	5.8192	5.2306	4.1380	3.5964	4.5367	5.4310	6.1686	6.6954	7.0012	7.1404	6.9892	6.7372	6.7372	6.9892	6.6954
C24	6.1686	5.8192	4.8608	4.6357	5.5140	5.5140	4.6357	3.5964	3.5964	2.4814	2.8650	4.1380	4.5367	5.5140	6.0977	6.6954	6.5405	5.8192	5.2306	4.1380	3.7154	2.4814	1.4620		1.4030	2.4814	2.8650	4.1380	4.8608	5.8192	6.0977	5.5140	4.5367	3.7154	2.4814	1.4620	2.3655	2.3655	3.5964	4.5367	5.4310	6.1686	6.6954	7.0012	6.6954	6.1686	5.4310	4.5367	3.5964	4.1380	5.2306	5.8192	6.5405	6.6954	6.9892	7.1404	6.9892	6.7372	6.7372	6.1686
C25	5.4310	5.2306	4.1380	3.5964	4.5367	4.5367	3.5964	2.3655	2.3655	1.4620	2.4814	3.7154	4.5367	5.5140	5.8192	6.5405	6.6954	6.0977	5.8192	4.8608	4.1380	2.8650	2.4814	1.4030		1.4620	2.4814	3.7154	4.1380	5.2306	5.8192	5.5140	4.5367	4.1380	2.8650	2.4814	3.5964	3.5964	4.6357	5.5140	6.1686	6.7372	6.9892	7.1404	6.9892	6.7372	6.1686	5.5140	4.6357	4.8608	5.8192	6.0977	6.6954	6.5405	6.6954	7.0012	6.6954	6.1686	6.1686	5.4310
C26	5.2306	5.4310	4.5367	3.5964	4.1380	3.7154	2.4814	1.4620	2.3655	2.3655	3.5964	4.5367	5.4310	6.1686	6.1686	6.6954	7.0012	6.6954	6.5405	5.8192	5.2306	4.1380	3.7154	2.4814	1.4620		1.4030	2.4814	2.8650	4.1380	4.8608	4.6357	3.5964	3.5964	2.4814	2.8650	4.1380	4.5367	5.5140	6.0977	6.6954	6.9892	7.1404	6.9892	6.7372	6.7372	6.1686	5.8192	4.8608	4.6357	5.5140	5.5140	6.1686	5.8192	6.0977	6.6954	6.5405	5.8192	5.5140	4.5367
C27	5.8192	6.1686	5.5140	4.6357	4.8608	4.1380	2.8650	2.4814	3.5964	3.5964	4.6357	5.5140	6.1686	6.7372	6.7372	6.9892	7.1404	6.9892	6.6954	6.0977	5.8192	4.8608	4.1380	2.8650	2.4814	1.4030		1.4620	2.4814	3.7154	4.1380	3.5964	2.3655	2.3655	1.4620	2.4814	3.7154	4.5367	5.5140	5.8192	6.5405	6.6954	7.0012	6.6954	6.1686	6.1686	5.4310	5.2306	4.1380	3.5964	4.5367	4.5367	5.4310	5.2306	5.8192	6.5405	6.6954	6.0977	5.5140	4.5367
C28	5.5140	6.1686	5.8192	4.8608	4.6357	3.5964	2.4814	2.8650	4.1380	4.5367	5.5140	6.0977	6.6954	6.9892	6.7372	6.7372	6.9892	7.1404	7.0012	6.6954	6.5405	5.8192	5.2306	4.1380	3.7154	2.4814	1.4620		1.4030	2.4814	2.8650	2.4814	1.4620	2.3655	2.3655	3.5964	4.5367	5.4310	6.1686	6.1686	6.6954	6.5405	6.6954	6.0977	5.5140	5.8192	5.2306	5.4310	4.5367	3.5964	4.1380	3.7154	4.5367	4.1380	4.8608	5.8192	6.1686	5.5140	4.6357	3.5964
C29	4.5367	5.4310	5.2306	4.1380	3.5964	2.3655	1.4620	2.4814	3.7154	4.5367	5.5140	5.8192	6.5405	6.6954	6.1686	6.1686	6.6954	7.0012	7.1404	6.9892	6.6954	6.0977	5.8192	4.8608	4.1380	2.8650	2.4814	1.4030		1.4620	2.4814	2.8650	2.4814	3.5964	3.5964	4.6357	5.5140	6.1686	6.7372	6.7372	6.9892	6.6954	6.5405	5.8192	5.5140	6.0977	5.8192	6.1686	5.5140	4.6357	4.8608	4.1380	4.5367	3.7154	4.1380	5.2306	5.4310	4.5367	3.5964	2.3655
C30	4.1380	5.2306	5.4310	4.5367	3.5964	2.3655	2.3655	3.5964	4.5367	5.4310	6.1686	6.1686	6.6954	6.5405	5.8192	5.5140	6.0977	6.6954	6.9892	7.1404	7.0012	6.6954	6.5405	5.8192	5.2306	4.1380	3.7154	2.4814	1.4620		1.4030	2.4814	2.8650	4.1380	4.5367	5.5140	6.0977	6.6954	6.9892	6.7372	6.7372	6.1686	5.8192	4.8608	4.6357	5.5140	5.5140	6.1686	5.8192	4.8608	4.6357	3.5964	3.5964	2.4814	2.8650	4.1380	4.5367	3.7154	2.4814	1.4620
C31	4.8608	5.8192	6.1686	5.5140	4.6357	3.5964	3.5964	4.6357	5.5140	6.1686	6.7372	6.7372	6.9892	6.6954	6.0977	5.5140	5.8192	6.5405	6.6954	7.0012	7.1404	6.9892	6.6954	6.0977	5.8192	4.8608	4.1380	2.8650	2.4814	1.4030		1.4620	2.4814	3.7154	4.5367	5.5140	5.8192	6.5405	6.6954	6.1686	6.1686	5.4310	5.2306	4.1380	3.5964	4.5367	4.5367	5.4310	5.2306	4.1380	3.5964	2.3655	2.3655	1.4620	2.4814	3.7154	4.5367	4.1380	2.8650	2.4814
C32	5.8192	6.5405	6.6954	6.0977	5.5140	4.5367	4.1380	4.8608	5.8192	6.1686	6.7372	6.9892	7.1404	7.0012	6.6954	6.1686	6.1686	6.6954	6.5405	6.6954	6.9892	6.7372	6.1686	5.5140	5.5140	4.6357	3.5964	2.4814	2.8650	2.4814	1.4620		1.4030	2.4814	3.5964	4.6357	4.8608	5.8192	6.0977	5.5140	5.8192	5.2306	5.4310	4.5367	3.5964	4.1380	3.7154	4.5367	4.1380	2.8650	2.4814	1.4620	2.3655	2.3655	3.5964	4.5367	5.4310	5.2306	4.1380	3.7154
C33	6.0977	6.6954	6.5405	5.8192	5.5140	4.5367	3.7154	4.1380	5.2306	5.4310	6.1686	6.6954	7.0012	7.1404	6.9892	6.7372	6.7372	6.9892	6.6954	6.5405	6.6954	6.1686	5.4310	4.5367	4.5367	3.5964	2.3655	1.4620	2.4814	2.8650	2.4814	1.4030		1.4620	2.3655	3.5964	4.1380	5.2306	5.8192	5.5140	6.0977	5.8192	6.1686	5.5140	4.6357	4.8608	4.1380	4.5367	3.7154	2.4814	2.8650	2.4814	3.5964	3.5964	4.6357	5.5140	6.1686	5.8192	4.8608	4.1380
C34	6.6954	7.0012	6.6954	6.1686	6.1686	5.4310	4.5367	4.5367	5.4310	5.2306	5.8192	6.5405	6.6954	6.9892	7.1404	6.9892	6.7372	6.7372	6.1686	5.8192	6.0977	5.5140	4.5367	3.7154	4.1380	3.5964	2.3655	2.3655	3.5964	4.1380	3.7154	2.4814	1.4620		1.4620	2.4814	2.8650	4.1380	4.8608	4.6357	5.5140	5.5140	6.1686	5.8192	4.8608	4.6357	3.5964	3.5964	2.4814	1.4030	2.4814	2.8650	4.1380	4.5367	5.5140	6.0977	6.6954	6.5405	5.8192	5.2306
C35	6.5405	6.6954	6.0977	5.5140	5.8192	5.2306	4.1380	3.7154	4.5367	4.1380	4.8608	5.8192	6.1686	6.7372	6.9892	7.1404	6.9892	6.7372	6.1686	5.5140	5.5140	4.6357	3.5964	2.4814	2.8650	2.4814	1.4620	2.3655	3.5964	4.5367	4.5367	3.5964	2.3655	1.4620		1.4030	2.4814	3.5964	4.6357	4.8608	5.8192	6.0977	6.6954	6.5405	5.8192	5.5140	4.5367	4.1380	2.8650	2.4814	3.7154	4.1380	5.2306	5.4310	6.1686	6.6954	7.0012	6.6954	6.1686	5.4310
C36	6.6954	6.5405	5.8192	5.5140	6.0977	5.8192	4.8608	4.1380	4.5367	3.7154	4.1380	5.2306	5.4310	6.1686	6.6954	7.0012	6.6954	6.1686	5.4310	4.5367	4.5367	3.5964	2.3655	1.4620	2.4814	2.8650	2.4814	3.5964	4.6357	5.5140	5.5140	4.6357	3.5964	2.4814	1.4030		1.4620	2.3655	3.5964	4.1380	5.2306	5.8192	6.5405	6.6954	6.0977	5.5140	4.5367	3.7154	2.4814	2.8650	4.1380	4.8608	5.8192	6.1686	6.7372	6.9892	7.1404	6.9892	6.7372	6.1686
C37	7.0012	6.6954	6.1686	6.1686	6.6954	6.5405	5.8192	5.2306	5.4310	4.5367	4.5367	5.4310	5.2306	5.8192	6.5405	6.6954	6.0977	5.5140	4.5367	3.7154	4.1380	3.5964	2.3655	2.3655	3.5964	4.1380	3.7154	4.5367	5.5140	6.0977	5.8192	4.8608	4.1380	2.8650	2.4814	1.4620		1.4620	2.4814	2.8650	4.1380	4.8608	5.8192	6.1686	5.5140	4.6357	3.5964	2.4814	1.4030	2.4814	3.5964	4.6357	5.5140	6.1686	6.7372	6.7372	6.9892	7.1404	6.9892	6.6954
C38	6.6954	6.0977	5.5140	5.8192	6.5405	6.6954	6.1686	5.4310	5.2306	4.1380	3.7154	4.5367	4.1380	4.8608	5.8192	6.1686	5.5140	4.6357	3.5964	2.4814	2.8650	2.4814	1.4620	2.3655	3.5964	4.5367	4.5367	5.4310	6.1686	6.6954	6.5405	5.8192	5.2306	4.1380	3.5964	2.3655	1.4620		1.4030	2.4814	3.5964	4.6357	5.5140	6.1686	5.8192	4.8608	4.1380	2.8650	2.4814	3.7154	4.5367	5.5140	6.0977	6.6954	6.9892	6.7372	6.7372	6.9892	7.1404	7.0012
C39	6.5405	5.8192	5.5140	6.0977	6.6954	6.9892	6.7372	6.1686	5.8192	4.8608	4.1380	4.5367	3.7154	4.1380	5.2306	5.4310	4.5367	3.5964	2.3655	1.4620	2.4814	2.8650	2.4814	3.5964	4.6357	5.5140	5.5140	6.1686	6.7372	6.9892	6.6954	6.0977	5.8192	4.8608	4.6357	3.5964	2.4814	1.4030		1.4620	2.3655	3.5964	4.5367	5.4310	5.2306	4.1380	3.7154	2.4814	2.8650	4.1380	4.5367	5.5140	5.8192	6.5405	6.6954	6.1686	6.1686	6.6954	7.0012	7.1404
C40	6.6954	6.1686	6.1686	6.6954	7.0012	7.1404	6.9892	6.6954	6.5405	5.8192	5.2306	5.4310	4.5367	4.5367	5.4310	5.2306	4.1380	3.5964	2.3655	2.3655	3.5964	4.1380	3.7154	4.5367	5.5140	6.0977	5.8192	6.1686	6.7372	6.7372	6.1686	5.5140	5.5140	4.6357	4.8608	4.1380	2.8650	2.4814	1.4620		1.4620	2.4814	3.7154	4.5367	4.1380	2.8650	2.4814	1.4030	2.4814	3.5964	3.5964	4.6357	4.8608	5.8192	6.0977	5.5140	5.8192	6.5405	6.6954	6.9892
C41	6.0977	5.5140	5.8192	6.5405	6.6954	6.9892	7.1404	7.0012	6.6954	6.1686	5.4310	5.2306	4.1380	3.7154	4.5367	4.1380	2.8650	2.4814	1.4620	2.3655	3.5964	4.5367	4.5367	5.4310	6.1686	6.6954	6.5405	6.6954	6.9892	6.7372	6.1686	5.8192	6.0977	5.5140	5.8192	5.2306	4.1380	3.5964	2.3655	1.4620		1.4030	2.4814	3.5964	3.5964	2.4814	2.8650	2.4814	3.7154	4.5367	4.1380	4.8608	4.6357	5.5140	5.5140	4.6357	4.8608	5.8192	6.1686	6.7372
C42	5.8192	5.5140	6.0977	6.6954	6.5405	6.6954	7.0012	7.1404	6.9892	6.7372	6.1686	5.8192	4.8608	4.1380	4.5367	3.7154	2.4814	2.8650	2.4814	3.5964	4.6357	5.5140	5.5140	6.1686	6.7372	6.9892	6.6954	6.5405	6.6954	6.1686	5.4310	5.2306	5.8192	5.5140	6.0977	5.8192	4.8608	4.6357	3.5964	2.4814	1.4030		1.4620	2.3655	2.3655	1.4620	2.4814	2.8650	4.1380	4.5367	3.7154	4.1380	3.5964	4.5367	4.5367	3.5964	4.1380	5.2306	5.4310	6.1686
C43	4.8608	4.6357	5.5140	6.1686	5.8192	6.0977	6.6954	6.9892	6.7372	6.7372	6.1686	5.5140	4.6357	3.5964	3.5964	2.4814	1.4030	2.4814	2.8650	4.1380	4.8608	5.8192	6.0977	6.6954	6.9892	7.1404	7.0012	6.6954	6.5405	5.8192	5.2306	5.4310	6.1686	6.1686	6.6954	6.5405	5.8192	5.5140	4.5367	3.7154	2.4814	1.4620		1.4620	2.3655	2.3655	3.5964	4.1380	5.2306	5.4310	4.5367	4.5367	3.5964	4.1380	3.7154	2.4814	2.8650	4.1380	4.5367	5.5140
C44	4.6357	4.8608	5.8192	6.1686	5.5140	5.5140	6.1686	6.7372	6.7372	6.9892	6.6954	6.0977	5.5140	4.5367	4.1380	2.8650	2.4814	3.7154	4.1380	5.2306	5.8192	6.5405	6.6954	7.0012	7.1404	6.9892	6.6954	6.0977	5.8192	4.8608	4.1380	4.5367	5.5140	5.8192	6.5405	6.6954	6.1686	6.1686	5.4310	4.5367	3.5964	2.3655	1.4620		1.4620	2.3655	3.5964	4.5367	5.4310	5.2306	4.1380	3.7154	2.4814	2.8650	2.4814	1.4030	2.4814	3.5964	3.5964	4.6357
C45	5.5140	5.8192	6.5405	6.6954	6.0977	5.8192	6.1686	6.7372	6.9892	7.1404	7.0012	6.6954	6.1686	5.4310	5.2306	4.1380	3.5964	4.5367	4.5367	5.4310	6.1686	6.6954	6.5405	6.6954	6.9892	6.7372	6.1686	5.5140	5.5140	4.6357	3.5964	3.5964	4.6357	4.8608	5.8192	6.0977	5.5140	5.8192	5.2306	4.1380	3.5964	2.3655	2.3655	1.4620		1.4620	2.4814	3.7154	4.5367	4.1380	2.8650	2.4814	1.4030	2.4814	2.8650	2.4814	3.7154	4.5367	4.1380	4.8608
C46	6.1686	6.1686	6.6954	7.0012	6.6954	6.5405	6.6954	6.9892	7.1404	6.9892	6.6954	6.5405	5.8192	5.2306	5.4310	4.5367	3.5964	4.1380	3.7154	4.5367	5.5140	6.0977	5.8192	6.1686	6.7372	6.7372	6.1686	5.8192	6.0977	5.5140	4.5367	4.1380	4.8608	4.6357	5.5140	5.5140	4.6357	4.8608	4.1380	2.8650	2.4814	1.4620	2.3655	2.3655	1.4620		1.4030	2.4814	3.5964	3.5964	2.4814	2.8650	2.4814	3.7154	4.1380	3.5964	4.5367	5.4310	5.2306	5.8192
C47	6.7372	6.7372	6.9892	7.1404	6.9892	6.6954	6.5405	6.6954	7.0012	6.6954	6.5405	6.6954	6.0977	5.8192	6.1686	5.5140	4.6357	4.8608	4.1380	4.5367	5.5140	5.8192	5.2306	5.4310	6.1686	6.1686	5.4310	5.2306	5.8192	5.5140	4.5367	3.7154	4.1380	3.5964	4.5367	4.5367	3.5964	4.1380	3.7154	2.4814	2.8650	2.4814	3.5964	3.5964	2.4814	1.4030		1.4620	2.3655	2.3655	1.4620	2.4814	2.8650	4.1380	4.8608	4.6357	5.5140	6.1686	5.8192	6.0977
C48	6.9892	6.7372	6.7372	6.9892	7.1404	7.0012	6.6954	6.5405	6.6954	6.0977	5.8192	6.1686	5.5140	5.5140	6.1686	5.8192	4.8608	4.6357	3.5964	3.5964	4.6357	4.8608	4.1380	4.5367	5.5140	5.8192	5.2306	5.4310	6.1686	6.1686	5.4310	4.5367	4.5367	3.5964	4.1380	3.7154	2.4814	2.8650	2.4814	1.4030	2.4814	2.8650	4.1380	4.5367	3.7154	2.4814	1.4620		1.4620	2.3655	2.3655	3.5964	4.1380	5.2306	5.8192	5.5140	6.0977	6.6954	6.5405	6.6954
C49	7.1404	6.9892	6.7372	6.7372	6.9892	6.6954	6.0977	5.8192	6.1686	5.5140	5.5140	6.1686	5.8192	6.0977	6.6954	6.5405	5.8192	5.5140	4.5367	4.1380	4.8608	4.6357	3.5964	3.5964	4.6357	4.8608	4.1380	4.5367	5.5140	5.8192	5.2306	4.1380	3.7154	2.4814	2.8650	2.4814	1.4030	2.4814	2.8650	2.4814	3.7154	4.1380	5.2306	5.4310	4.5367	3.5964	2.3655	1.4620		1.4620	2.3655	3.5964	4.5367	5.4310	6.1686	6.1686	6.6954	7.0012	6.6954	6.5405
C50	6.9892	7.1404	6.9892	6.7372	6.7372	6.1686	5.5140	5.5140	6.1686	5.8192	6.0977	6.6954	6.5405	6.6954	7.0012	6.6954	6.1686	6.1686	5.4310	5.2306	5.8192	5.5140	4.5367	4.1380	4.8608	4.6357	3.5964	3.5964	4.6357	4.8608	4.1380	2.8650	2.4814	1.4030	2.4814	2.8650	2.4814	3.7154	4.1380	3.5964	4.5367	4.5367	5.4310	5.2306	4.1380	3.5964	2.3655	2.3655	1.4620		1.4620	2.4814	3.7154	4.5367	5.5140	5.8192	6.5405	6.6954	6.0977	5.8192
C51	6.7372	6.9892	7.1404	6.9892	6.7372	6.1686	5.8192	6.0977	6.6954	6.5405	6.6954	7.0012	6.6954	6.5405	6.6954	6.0977	5.5140	5.8192	5.2306	5.4310	6.1686	6.1686	5.4310	5.2306	5.8192	5.5140	4.5367	4.1380	4.8608	4.6357	3.5964	2.4814	2.8650	2.4814	3.7154	4.1380	3.5964	4.5367	4.5367	3.5964	4.1380	3.7154	4.5367	4.1380	2.8650	2.4814	1.4620	2.3655	2.3655	1.4620		1.4030	2.4814	3.5964	4.6357	4.8608	5.8192	6.1686	5.5140	5.5140
C52	6.1686	6.6954	7.0012	6.6954	6.1686	5.4310	5.2306	5.8192	6.5405	6.6954	6.9892	7.1404	6.9892	6.6954	6.5405	5.8192	5.5140	6.0977	5.8192	6.1686	6.7372	6.7372	6.1686	5.8192	6.0977	5.5140	4.5367	3.7154	4.1380	3.5964	2.3655	1.4620	2.4814	2.8650	4.1380	4.8608	4.6357	5.5140	5.5140	4.6357	4.8608	4.1380	4.5367	3.7154	2.4814	2.8650	2.4814	3.5964	3.5964	2.4814	1.4030		1.4620	2.3655	3.5964	4.1380	5.2306	5.4310	4.5367	4.5367
C53	5.5140	6.0977	6.6954	6.5405	5.8192	5.2306	5.4310	6.1686	6.6954	7.0012	7.1404	6.9892	6.7372	6.1686	5.8192	4.8608	4.6357	5.5140	5.5140	6.1686	6.7372	6.9892	6.6954	6.5405	6.6954	6.1686	5.4310	4.5367	4.5367	3.5964	2.3655	2.3655	3.5964	4.1380	5.2306	5.8192	5.5140	6.0977	5.8192	4.8608	4.6357	3.5964	3.5964	2.4814	1.4030	2.4814	2.8650	4.1380	4.5367	3.7154	2.4814	1.4620		1.4620	2.4814	2.8650	4.1380	4.5367	3.7154	4.1380
C54	4.6357	5.5140	6.1686	5.8192	4.8608	4.1380	4.5367	5.5140	6.0977	6.6954	6.9892	6.7372	6.7372	6.1686	5.5140	4.6357	4.8608	5.8192	6.0977	6.6954	6.9892	7.1404	7.0012	6.6954	6.5405	5.8192	5.2306	4.1380	3.7154	2.4814	1.4620	2.3655	3.5964	4.5367	5.4310	6.1686	6.1686	6.6954	6.5405	5.8192	5.5140	4.5367	4.1380	2.8650	2.4814	3.7154	4.1380	5.2306	5.4310	4.5367	3.5964	2.3655	1.4620		1.4030	2.4814	3.5964	3.5964	2.4814	2.8650
C55	3.5964	4.5367	5.4310	5.2306	4.1380	3.7154	4.5367	5.5140	5.8192	6.5405	6.6954	6.1686	6.1686	5.4310	4.5367	3.5964	4.1380	5.2306	5.8192	6.5405	6.6954	7.0012	7.1404	6.9892	6.6954	6.0977	5.8192	4.8608	4.1380	2.8650	2.4814	3.5964	4.6357	5.5140	6.1686	6.7372	6.7372	6.9892	6.6954	6.0977	5.5140	4.5367	3.7154	2.4814	2.8650	4.1380	4.8608	5.8192	6.1686	5.5140	4.6357	3.5964	2.4814	1.4030		1.4620	2.3655	2.3655	1.4620	2.4814
C56	3.5964	4.1380	5.2306	5.4310	4.5367	4.5367	5.4310	6.1686	6.1686	6.6954	6.5405	5.8192	5.5140	4.5367	3.7154	2.4814	2.8650	4.1380	4.8608	5.8192	6.0977	6.6954	6.9892	7.1404	7.0012	6.6954	6.5405	5.8192	5.2306	4.1380	3.7154	4.5367	5.5140	6.0977	6.6954	6.9892	6.7372	6.7372	6.1686	5.5140	4.6357	3.5964	2.4814	1.4030	2.4814	3.5964	4.6357	5.5140	6.1686	5.8192	4.8608	4.1380	2.8650	2.4814	1.4620		1.4620	2.3655	2.3655	3.5964
C57	2.4814	2.8650	4.1380	4.5367	3.7154	4.1380	5.2306	5.8192	5.5140	6.0977	5.8192	4.8608	4.6357	3.5964	2.4814	1.4030	2.4814	3.5964	4.6357	5.5140	5.5140	6.1686	6.7372	6.9892	6.6954	6.5405	6.6954	6.1686	5.4310	4.5367	4.5367	5.4310	6.1686	6.6954	7.0012	7.1404	6.9892	6.7372	6.1686	5.8192	4.8608	4.1380	2.8650	2.4814	3.7154	4.5367	5.5140	6.0977	6.6954	6.5405	5.8192	5.2306	4.1380	3.5964	2.3655	1.4620		1.4620	2.3655	3.5964
C58	1.4030	2.4814	3.5964	3.5964	2.4814	2.8650	4.1380	4.8608	4.6357	5.5140	5.5140	4.6357	4.8608	4.1380	2.8650	2.4814	3.7154	4.5367	5.5140	6.0977	5.8192	6.1686	6.7372	6.7372	6.1686	5.8192	6.0977	5.5140	4.5367	3.7154	4.1380	5.2306	5.8192	6.5405	6.6954	6.9892	7.1404	6.9892	6.6954	6.5405	5.8192	5.2306	4.1380	3.5964	4.5367	5.4310	6.1686	6.6954	7.0012	6.6954	6.1686	5.4310	4.5367	3.5964	2.3655	2.3655	1.4620		1.4620	2.4814
C59	2.4814	3.7154	4.5367	4.1380	2.8650	2.4814	3.5964	4.6357	4.8608	5.8192	6.0977	5.5140	5.8192	5.2306	4.1380	3.5964	4.5367	5.4310	6.1686	6.6954	6.5405	6.6954	6.9892	6.7372	6.1686	5.5140	5.5140	4.6357	3.5964	2.4814	2.8650	4.1380	4.8608	5.8192	6.1686	6.7372	6.9892	7.1404	7.0012	6.6954	6.1686	5.4310	4.5367	3.5964	4.1380	5.2306	5.8192	6.5405	6.6954	6.0977	5.5140	4.5367	3.7154	2.4814	1.4620	2.3655	2.3655	1.4620		1.4030
C60	2.8650	4.1380	4.5367	3.7154	2.4814	1.4620	2.3655	3.5964	4.1380	5.2306	5.8192	5.5140	6.0977	5.8192	4.8608	4.6357	5.5140	6.1686	6.7372	6.9892	6.6954	6.5405	6.6954	6.1686	5.4310	4.5367	4.5367	3.5964	2.3655	1.4620	2.4814	3.7154	4.1380	5.2306	5.4310	6.1686	6.6954	7.0012	7.1404	6.9892	6.7372	6.1686	5.5140	4.6357	4.8608	5.8192	6.0977	6.6954	6.5405	5.8192	5.5140	4.5367	4.1380	2.8650	2.4814	3.5964	3.5964	2.4814	1.4030

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 B2PLYP/6-31G Charges (e)

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

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

	x	y	z	Total
	0.000	0.000	0.000	0.000
CHELPG
AIM
ESP

Electric Quadrupole moment
Quadrupole components in D Å

Primitive   x y z x -337.262 0.000 0.000 y 0.000 -337.262 0.000 z 0.000 0.000 -337.262

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	68.592	0.000	-0.000
y	0.000	68.592	0.000
z	-0.000	0.000	68.592

<r²> (average value of r²) Ų

<r2>	4799.372
(<r2>)1/2	69.277