All results from a given calculation for C₆₀ (Buckminsterfullerene)

Energy calculated at BLYP/STO-3G

	hartrees
Energy at 0K	-2257.281434
Energy at 298.15K	-2257.275428
HF Energy	-2257.281434
Nuclear repulsion energy	8126.806644

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 BLYP/STO-3G

Mode Number	Symmetry	Frequency (cm-1)	Scaled Frequency (cm-1)	IR Intensities (km mol-1)	Raman Act (Å4/u)	Dep P	Dep U
1	Ag	1483	1372	0.00
2	Ag	480	444	0.00
3	Au	955	883	0.00
4	T1g	1296	1199	0.00
4	T1g	1296	1199	0.00
4	T1g	1296	1199	0.00
5	T1g	831	768	0.00
5	T1g	831	768	0.00
5	T1g	831	768	0.00
6	T1g	563	520	0.00
6	T1g	563	520	0.00
6	T1g	563	520	0.00
7	T1u	1442	1334	7.87
7	T1u	1442	1334	7.87
7	T1u	1442	1334	7.87
8	T1u	1209	1119	18.71
8	T1u	1209	1119	18.71
8	T1u	1209	1119	18.71
9	T1u	570	527	0.14
9	T1u	570	527	0.14
9	T1u	570	527	0.14
10	T1u	519	480	17.38
10	T1u	519	480	17.38
10	T1u	519	480	17.38
11	T2g	1357	1256	0.00
11	T2g	1357	1256	0.00
11	T2g	1357	1256	0.00
12	T2g	797	737	0.00
12	T2g	797	737	0.00
12	T2g	797	737	0.00
13	T2g	768	711	0.00
13	T2g	768	711	0.00
13	T2g	768	711	0.00
14	T2g	559	517	0.00
14	T2g	559	517	0.00
14	T2g	559	517	0.00
15	T2u	1544	1428	0.00
15	T2u	1544	1428	0.00
15	T2u	1544	1428	0.00
16	T2u	1190	1101	0.00
16	T2u	1190	1101	0.00
16	T2u	1190	1101	0.00
17	T2u	965	893	0.00
17	T2u	965	893	0.00
17	T2u	965	893	0.00
18	T2u	697	645	0.00
18	T2u	697	645	0.00
81	T2u	697	645	0.00
19	T2u	341	316	0.00
19	T2u	341	316	0.00
19	T2u	341	316	0.00
20	Gg	1515	1401	0.00
20	Gg	1515	1401	0.00
20	Gg	1515	1401	0.00
20	Gg	1515	1401	0.00
21	Gg	1323	1224	0.00
21	Gg	1323	1224	0.00
21	Gg	1323	1224	0.00
21	Gg	1323	1224	0.00
22	Gg	1087	1006	0.00
22	Gg	1087	1006	0.00
22	Gg	1087	1006	0.00
22	Gg	1087	1006	0.00
23	Gg	744	689	0.00
23	Gg	744	689	0.00
23	Gg	744	689	0.00
23	Gg	744	689	0.00
24	Gg	571	529	0.00
24	Gg	571	529	0.00
24	Gg	571	529	0.00
24	Gg	571	529	0.00
25	Gg	486	449	0.00
25	Gg	486	449	0.00
25	Gg	486	449	0.00
25	Gg	486	449	0.00
26	Gu	1439	1331	0.00
26	Gu	1439	1331	0.00
26	Gu	1439	1331	0.00
26	Gu	1439	1331	0.00
27	Gu	1319	1220	0.00
27	Gu	1319	1220	0.00
27	Gu	1319	1220	0.00
27	Gu	1319	1220	0.00
28	Gu	966	893	0.00
28	Gu	966	893	0.00
28	Gu	966	893	0.00
28	Gu	966	893	0.00
29	Gu	771	714	0.00
29	Gu	771	714	0.00
29	Gu	771	714	0.00
29	Gu	771	714	0.00
30	Gu	755	699	0.00
30	Gu	755	699	0.00
30	Gu	755	699	0.00
30	Gu	755	699	0.00
31	Gu	352	326	0.00
31	Gu	352	326	0.00
31	Gu	352	326	0.00
31	Gu	352	326	0.00
32	Hg	1590	1471	0.00
32	Hg	1590	1471	0.00
32	Hg	1590	1471	0.00
32	Hg	1590	1471	0.00
32	Hg	1590	1471	0.00
33	Hg	1433	1325	0.00
33	Hg	1433	1325	0.00
33	Hg	1433	1325	0.00
33	Hg	1433	1325	0.00
33	Hg	1433	1325	0.00
34	Hg	1267	1173	0.00
34	Hg	1267	1173	0.00
34	Hg	1267	1173	0.00
34	Hg	1267	1173	0.00
34	Hg	1267	1173	0.00
35	Hg	1114	1031	0.00
35	Hg	1114	1031	0.00
35	Hg	1114	1031	0.00
35	Hg	1114	1031	0.00
35	Hg	1114	1031	0.00
36	Hg	767	710	0.00
36	Hg	767	710	0.00
36	Hg	767	710	0.00
36	Hg	767	710	0.00
36	Hg	767	710	0.00
37	Hg	698	646	0.00
37	Hg	698	646	0.00
37	Hg	698	646	0.00
37	Hg	698	646	0.00
37	Hg	698	646	0.00
38	Hg	430	397	0.00
38	Hg	430	397	0.00
38	Hg	430	397	0.00
38	Hg	430	397	0.00
38	Hg	430	397	0.00
39	Hg	261	241	0.00
39	Hg	261	241	0.00
39	Hg	261	241	0.00
39	Hg	261	241	0.00
39	Hg	261	241	0.00
40	Hu	1580	1462	0.00
40	Hu	1580	1462	0.00
40	Hu	1580	1462	0.00
40	Hu	1580	1462	0.00
40	Hu	1580	1462	0.00
41	Hu	1360	1258	0.00
41	Hu	1360	1258	0.00
41	Hu	1360	1258	0.00
41	Hu	1360	1258	0.00
41	Hu	1360	1258	0.00
42	Hu	1234	1141	0.00
42	Hu	1234	1141	0.00
42	Hu	1234	1141	0.00
42	Hu	1234	1141	0.00
42	Hu	1234	1141	0.00
43	Hu	731	676	0.00
43	Hu	731	676	0.00
43	Hu	731	676	0.00
43	Hu	731	676	0.00
43	Hu	731	676	0.00
44	Hu	668	618	0.00
44	Hu	668	618	0.00
44	Hu	668	618	0.00
44	Hu	668	618	0.00
44	Hu	668	618	0.00
45	Hu	538	497	0.00
45	Hu	538	497	0.00
45	Hu	538	497	0.00
45	Hu	538	497	0.00
45	Hu	538	497	0.00
46	Hu	401	371	0.00
46	Hu	401	371	0.00
46	Hu	401	371	0.00
46	Hu	401	371	0.00
46	Hu	401	371	0.00

Unscaled Zero Point Vibrational Energy (zpe) 81261.5 cm^-1
Scaled (by 0.9252) Zero Point Vibrational Energy (zpe) 75183.1 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 BLYP/STO-3G

A	B	C
0.00265	0.00265	0.00265

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

Geometric Data calculated at BLYP/STO-3G

Point Group is I_h

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.267	3.410
C2	-1.205	0.392	3.410
C3	-0.745	-1.025	3.410
C4	0.745	-1.025	3.410
C5	1.205	0.392	3.410
C6	2.361	0.767	2.658
C7	3.106	-0.258	1.875
C8	2.664	-1.617	1.875
C9	1.459	-2.009	2.658
C10	0.715	-3.034	1.875
C11	-0.715	-3.034	1.875
C12	-1.459	-2.009	2.658
C13	-2.664	-1.617	1.875
C14	-3.106	-0.258	1.875
C15	-2.361	0.767	2.658
C16	-2.361	2.034	1.875
C17	-3.106	1.792	0.608
C18	-3.566	0.376	0.608
C19	-3.566	-0.376	-0.608
C20	-3.106	-1.792	-0.608
C21	-2.664	-2.400	0.608
C22	-1.459	-3.276	0.608
C23	-0.745	-3.508	-0.608
C24	0.745	-3.508	-0.608
C25	1.459	-3.276	0.608
C26	2.664	-2.400	0.608
C27	3.106	-1.792	-0.608
C28	3.566	-0.376	-0.608
C29	3.566	0.376	0.608
C30	3.106	1.792	0.608
C31	2.664	2.400	-0.608
C32	2.664	1.617	-1.875
C33	3.106	0.258	-1.875
C34	2.361	-0.767	-2.658
C35	2.361	-2.034	-1.875
C36	1.205	-2.874	-1.875
C37	0.000	-2.483	-2.658
C38	-1.205	-2.874	-1.875
C39	-2.361	-2.034	-1.875
C40	-2.361	-0.767	-2.658
C41	-3.106	0.258	-1.875
C42	-2.664	1.617	-1.875
C43	-2.664	2.400	-0.608
C44	-1.459	3.276	-0.608
C45	-0.715	3.034	-1.875
C46	-1.459	2.009	-2.658
C47	-0.745	1.025	-3.410
C48	-1.205	-0.392	-3.410
C49	0.000	-1.267	-3.410
C50	1.205	-0.392	-3.410
C51	0.745	1.025	-3.410
C52	1.459	2.009	-2.658
C53	0.715	3.034	-1.875
C54	1.459	3.276	-0.608
C55	0.745	3.508	0.608
C56	-0.745	3.508	0.608
C57	-1.205	2.874	1.875
C58	0.000	2.483	2.658
C59	1.205	2.874	1.875
C60	2.361	2.034	1.875

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		1.4894	2.4099	2.4099	1.4894	2.5280	3.7852	4.2157	3.6640	4.6219	4.6219	3.6640	4.2157	3.7852	2.5280	2.9189	4.2157	4.6219	5.6177	5.9285	5.3288	5.5330	6.2845	6.2845	5.5330	5.3288	5.9285	5.6177	4.6219	4.2157	4.9522	5.9285	6.2123	6.8212	6.6633	6.8212	7.1328	6.8212	6.6633	6.8212	6.2123	5.9285	4.9522	4.7229	5.6177	6.2845	6.8638	7.1205	7.2746	7.1205	6.8638	6.2845	5.6177	4.7229	3.6640	3.6640	2.5280	1.4295	2.5280	2.9189
C2	1.4894		1.4894	2.4099	2.4099	3.6640	4.6219	4.6219	3.6640	4.2157	3.7852	2.5280	2.9189	2.5280	1.4295	2.5280	3.6640	3.6640	4.7229	4.9521	4.2157	4.6219	5.6177	5.9285	5.3288	5.5330	6.2845	6.2845	5.5330	5.3288	5.9285	6.6633	6.8212	7.1328	6.8212	6.6633	6.8212	6.2123	5.9285	6.2845	5.6177	5.6177	4.7229	4.9522	5.9285	6.2845	6.8638	6.8638	7.1205	7.2746	7.1205	6.8212	6.2123	5.6177	4.6219	4.2157	2.9189	2.5280	3.7852	4.2157
C3	2.4099	1.4894		1.4894	2.4099	3.6640	4.2157	3.7852	2.5280	2.9189	2.5280	1.4295	2.5280	2.9189	2.5280	3.7852	4.6219	4.2157	4.9522	4.7229	3.6640	3.6640	4.7229	4.9522	4.2157	4.6219	5.6177	5.9285	5.3288	5.5330	6.2845	6.8212	6.6633	6.8212	6.2123	5.9285	6.2845	5.6177	5.6177	6.2845	5.9285	6.2123	5.6177	5.9285	6.6633	6.8212	7.1205	6.8638	6.8638	7.1205	7.2746	7.1328	6.8212	6.2845	5.5330	5.3288	4.2157	3.6640	4.6219	4.6219
C4	2.4099	2.4099	1.4894		1.4894	2.5280	2.9189	2.5280	1.4295	2.5280	2.9189	2.5280	3.7852	4.2157	3.6640	4.6219	5.5330	5.3288	5.9285	5.6177	4.6219	4.2157	4.9522	4.7229	3.6640	3.6640	4.7229	4.9522	4.2157	4.6219	5.6177	6.2123	5.9285	6.2845	5.6177	5.6177	6.2845	5.9285	6.2123	6.8212	6.6633	6.8212	6.2845	6.2845	6.8212	7.1328	7.2746	7.1205	6.8638	6.8638	7.1205	6.8212	6.6633	5.9285	5.3288	5.5330	4.6219	3.6640	4.2157	3.7852
C5	1.4894	2.4099	2.4099	1.4894		1.4295	2.5280	2.9189	2.5280	3.7852	4.2157	3.6640	4.6219	4.6219	3.6640	4.2157	5.3288	5.5330	6.2845	6.2845	5.5330	5.3288	5.9285	5.6177	4.6219	4.2157	4.9521	4.7229	3.6640	3.6640	4.7229	5.6177	5.6177	6.2845	5.9285	6.2123	6.8212	6.6633	6.8212	7.1328	6.8212	6.6633	5.9285	5.6177	6.2123	6.8212	7.1205	7.2746	7.1205	6.8638	6.8638	6.2845	5.9285	4.9522	4.2157	4.6219	3.7852	2.5280	2.9189	2.5280
C6	2.5280	3.6640	3.6640	2.5280	1.4295		1.4894	2.5280	2.9189	4.2157	4.9522	4.7229	5.6177	5.6177	4.7229	4.9522	5.9285	6.2845	6.8638	6.8638	6.2845	5.9285	6.2123	5.6177	4.6219	3.7852	4.2157	3.6640	2.4099	2.4099	3.6640	4.6219	4.6219	5.5330	5.3288	5.9285	6.6633	6.8212	7.1205	7.2746	7.1205	6.8212	6.2123	5.6177	5.9285	6.6633	6.8212	7.1328	6.8212	6.2845	6.2845	5.5330	5.3288	4.2157	3.7852	4.6219	4.2157	2.9189	2.5280	1.4894
C7	3.7852	4.6219	4.2157	2.9189	2.5280	1.4894		1.4295	2.5280	3.6640	4.7229	4.9522	5.9285	6.2123	5.6177	5.9285	6.6633	6.8212	7.1205	6.8638	6.2845	5.6177	5.6177	4.7229	3.6640	2.5280	2.9189	2.5280	1.4894	2.4099	3.6640	4.2157	3.7852	4.6219	4.2157	4.9522	5.9285	6.2845	6.8638	7.1205	7.2746	7.1328	6.8212	6.2845	6.2845	6.8212	6.6633	6.8212	6.2123	5.6177	5.9285	5.3288	5.5330	4.6219	4.6219	5.5330	5.3288	4.2157	3.6640	2.4099
C8	4.2157	4.6219	3.7852	2.5280	2.9189	2.5280	1.4295		1.4894	2.4099	3.6640	4.2157	5.3288	5.9285	5.6177	6.2123	6.8212	6.6633	6.8212	6.2845	5.5330	4.6219	4.6219	3.6640	2.4099	1.4894	2.5280	2.9189	2.5280	3.6640	4.7229	4.9522	4.2157	4.6219	3.7852	4.2157	5.3288	5.5330	6.2845	6.8212	7.1328	7.2746	7.1205	6.8638	6.8638	7.1205	6.8212	6.6633	5.9285	5.6177	6.2123	5.9285	6.2845	5.6177	5.6177	6.2845	5.9285	4.9522	4.7229	3.6640
C9	3.6640	3.6640	2.5280	1.4295	2.5280	2.9189	2.5280	1.4894		1.4894	2.5280	2.9189	4.2157	4.9522	4.7229	5.6177	6.2845	5.9285	6.2123	5.6177	4.6219	3.7852	4.2157	3.6640	2.4099	2.4099	3.6640	4.2157	3.7852	4.6219	5.6177	5.9285	5.3288	5.5330	4.6219	4.6219	5.5330	5.3288	5.9285	6.6633	6.8212	7.1205	6.8638	6.8638	7.1205	7.2746	7.1328	6.8212	6.2845	6.2845	6.8212	6.6633	6.8212	6.2123	5.9285	6.2845	5.6177	4.7229	4.9522	4.2157
C10	4.6219	4.2157	2.9189	2.5280	3.7852	4.2157	3.6640	2.4099	1.4894		1.4295	2.5280	3.6640	4.7229	4.9522	5.9285	6.2845	5.6177	5.6177	4.7229	3.6640	2.5280	2.9189	2.5280	1.4894	2.4099	3.6640	4.6219	4.6219	5.5330	6.2845	6.2845	5.5330	5.3288	4.2157	3.7852	4.6219	4.2157	4.9522	5.9285	6.2845	6.8638	6.8638	7.1205	7.2746	7.1205	6.8212	6.2123	5.6177	5.9285	6.6633	6.8212	7.1328	6.8212	6.6633	6.8212	6.2123	5.6177	5.9285	5.3288
C11	4.6219	3.7852	2.5280	2.9189	4.2157	4.9522	4.7229	3.6640	2.5280	1.4295		1.4894	2.4099	3.6640	4.2157	5.3288	5.5330	4.6219	4.6219	3.6640	2.4099	1.4894	2.5280	2.9189	2.5280	3.6640	4.7229	5.6177	5.6177	6.2845	6.8638	6.8638	6.2845	5.9285	4.9522	4.2157	4.6219	3.7852	4.2157	5.3288	5.5330	6.2845	6.2845	6.8212	7.1328	6.8212	6.6633	5.9285	5.6177	6.2123	6.8212	7.1205	7.2746	7.1205	6.8212	6.6633	5.9285	5.6177	6.2123	5.9285
C12	3.6640	2.5280	1.4295	2.5280	3.6640	4.7229	4.9522	4.2157	2.9189	2.5280	1.4894		1.4894	2.5280	2.9189	4.2157	4.6219	3.7852	4.2157	3.6640	2.4099	2.4099	3.6640	4.2157	3.7852	4.6219	5.6177	6.2123	5.9285	6.2845	6.8638	7.1205	6.8212	6.6633	5.9285	5.3288	5.5330	4.6219	4.6219	5.5330	5.3288	5.9285	5.6177	6.2123	6.8212	6.6633	6.8212	6.2845	6.2845	6.8212	7.1328	7.2746	7.1205	6.8638	6.2845	5.9285	4.9522	4.7229	5.6177	5.6177
C13	4.2157	2.9189	2.5280	3.7852	4.6219	5.6177	5.9285	5.3288	4.2157	3.6640	2.4099	1.4894		1.4295	2.5280	3.6640	3.6640	2.5280	2.9189	2.5280	1.4894	2.4099	3.6640	4.6219	4.6219	5.5330	6.2845	6.8212	6.6633	6.8212	7.1205	7.2746	7.1328	6.8212	6.2845	5.5330	5.3288	4.2157	3.7852	4.6219	4.2157	4.9522	4.7229	5.6177	6.2845	5.9285	6.2123	5.6177	5.9285	6.6633	6.8212	7.1205	6.8638	6.8638	6.2845	5.6177	4.7229	4.9522	5.9285	6.2123
C14	3.7852	2.5280	2.9189	4.2157	4.6219	5.6177	6.2123	5.9285	4.9522	4.7229	3.6640	2.5280	1.4295		1.4894	2.4099	2.4099	1.4894	2.5280	2.9189	2.5280	3.6640	4.7229	5.6177	5.6177	6.2845	6.8638	7.1205	6.8212	6.6633	6.8212	7.1328	7.2746	7.1205	6.8638	6.2845	5.9285	4.9522	4.2157	4.6219	3.7852	4.2157	3.6640	4.6219	5.5330	5.3288	5.9285	5.6177	6.2123	6.8212	6.6633	6.8212	6.2845	6.2845	5.5330	4.6219	3.6640	4.2157	5.3288	5.9285
C15	2.5280	1.4295	2.5280	3.6640	3.6640	4.7229	5.6177	5.6177	4.7229	4.9522	4.2157	2.9189	2.5280	1.4894		1.4894	2.4099	2.4099	3.6640	4.2157	3.7852	4.6219	5.6177	6.2123	5.9285	6.2845	6.8638	6.8638	6.2845	5.9285	6.2123	6.8212	7.1205	7.2746	7.1205	6.8212	6.6633	5.9285	5.3288	5.5330	4.6219	4.6219	3.6640	4.2157	5.3288	5.5330	6.2845	6.2845	6.8212	7.1328	6.8212	6.6633	5.9285	5.6177	4.6219	3.7852	2.5280	2.9189	4.2157	4.9522
C16	2.9189	2.5280	3.7852	4.6219	4.2157	4.9522	5.9285	6.2123	5.6177	5.9285	5.3288	4.2157	3.6640	2.4099	1.4894		1.4894	2.4099	3.6640	4.6219	4.6219	5.5330	6.2845	6.8212	6.6633	6.8212	7.1205	6.8638	6.2845	5.6177	5.6177	6.2845	6.8638	7.1205	7.2746	7.1328	6.8212	6.2845	5.5330	5.3288	4.2157	3.7852	2.5280	2.9189	4.2157	4.6219	5.6177	5.9285	6.6633	6.8212	6.2123	5.9285	4.9522	4.7229	3.6640	2.5280	1.4295	2.5280	3.6640	4.7229
C17	4.2157	3.6640	4.6219	5.5330	5.3288	5.9285	6.6633	6.8212	6.2845	6.2845	5.5330	4.6219	3.6640	2.4099	2.4099	1.4894		1.4894	2.5280	3.7852	4.2157	5.3288	5.9285	6.6633	6.8212	7.1328	7.2746	7.1205	6.8212	6.2123	5.9285	6.2845	6.8638	6.8638	7.1205	6.8212	6.2123	5.6177	4.6219	4.2157	2.9189	2.5280	1.4295	2.5280	3.6640	3.6640	4.7229	4.9521	5.9285	6.2845	5.6177	5.6177	4.7229	4.9522	4.2157	2.9189	2.5280	3.7852	4.6219	5.6177
C18	4.6219	3.6640	4.2157	5.3288	5.5330	6.2845	6.8212	6.6633	5.9285	5.6177	4.6219	3.7852	2.5280	1.4894	2.4099	2.4099	1.4894		1.4295	2.5280	2.9189	4.2157	4.9522	5.9285	6.2123	6.8212	7.1205	7.2746	7.1328	6.8212	6.6633	6.8212	7.1205	6.8638	6.8638	6.2845	5.6177	4.7229	3.6640	3.6640	2.5280	2.9189	2.5280	3.7852	4.6219	4.2157	4.9522	4.7229	5.6177	6.2845	5.9285	6.2123	5.6177	5.9285	5.3288	4.2157	3.6640	4.6219	5.5330	6.2845
C19	5.6177	4.7229	4.9522	5.9285	6.2845	6.8638	7.1205	6.8212	6.2123	5.6177	4.6219	4.2157	2.9189	2.5280	3.6640	3.6640	2.5280	1.4295		1.4894	2.5280	3.7852	4.2157	5.3288	5.9285	6.6633	6.8212	7.1328	7.2746	7.1205	6.8212	6.6633	6.8212	6.2845	6.2845	5.5330	4.6219	3.6640	2.4099	2.4099	1.4894	2.5280	2.9189	4.2157	4.6219	3.7852	4.2157	3.6640	4.6219	5.5330	5.3288	5.9285	5.6177	6.2123	5.9285	4.9522	4.7229	5.6177	6.2845	6.8638
C20	5.9285	4.9521	4.7229	5.6177	6.2845	6.8638	6.8638	6.2845	5.6177	4.7229	3.6640	3.6640	2.5280	2.9189	4.2157	4.6219	3.7852	2.5280	1.4894		1.4295	2.5280	2.9189	4.2157	4.9522	5.9285	6.2123	6.8212	7.1205	7.2746	7.1328	6.8212	6.6633	5.9285	5.6177	4.6219	3.7852	2.5280	1.4894	2.4099	2.4099	3.6640	4.2157	5.3288	5.5330	4.6219	4.6219	3.6640	4.2157	5.3288	5.5330	6.2845	6.2845	6.8212	6.6633	5.9285	5.6177	6.2123	6.8212	7.1205
C21	5.3288	4.2157	3.6640	4.6219	5.5330	6.2845	6.2845	5.5330	4.6219	3.6640	2.4099	2.4099	1.4894	2.5280	3.7852	4.6219	4.2157	2.9189	2.5280	1.4295		1.4894	2.5280	3.7852	4.2157	5.3288	5.9285	6.6633	6.8212	7.1328	7.2746	7.1205	6.8212	6.2123	5.6177	4.6219	4.2157	2.9189	2.5280	3.6640	3.6640	4.7229	4.9522	5.9285	6.2845	5.6177	5.6177	4.7229	4.9522	5.9285	6.2845	6.8638	6.8638	7.1205	6.8212	6.2123	5.6177	5.9285	6.6633	6.8212
C22	5.5330	4.6219	3.6640	4.2157	5.3288	5.9285	5.6177	4.6219	3.7852	2.5280	1.4894	2.4099	2.4099	3.6640	4.6219	5.5330	5.3288	4.2157	3.7852	2.5280	1.4894		1.4295	2.5280	2.9189	4.2157	4.9522	5.9285	6.2123	6.8212	7.1205	6.8638	6.2845	5.6177	4.7229	3.6640	3.6640	2.5280	2.9189	4.2157	4.6219	5.6177	5.9285	6.6633	6.8212	6.2123	5.9285	4.9522	4.7229	5.6177	6.2845	6.8638	7.1205	7.2746	7.1328	6.8212	6.2845	6.2845	6.8212	6.6633
C23	6.2845	5.6177	4.7229	4.9522	5.9285	6.2123	5.6177	4.6219	4.2157	2.9189	2.5280	3.6640	3.6640	4.7229	5.6177	6.2845	5.9285	4.9522	4.2157	2.9189	2.5280	1.4295		1.4894	2.5280	3.7852	4.2157	5.3288	5.9285	6.6633	6.8212	6.2845	5.5330	4.6219	3.6640	2.4099	2.4099	1.4894	2.5280	3.7852	4.6219	5.6177	6.2123	6.8212	6.6633	5.9285	5.3288	4.2157	3.6640	4.6219	5.5330	6.2845	6.8212	7.1328	7.2746	7.1205	6.8638	6.8638	7.1205	6.8212
C24	6.2845	5.9285	4.9522	4.7229	5.6177	5.6177	4.7229	3.6640	3.6640	2.5280	2.9189	4.2157	4.6219	5.6177	6.2123	6.8212	6.6633	5.9285	5.3288	4.2157	3.7852	2.5280	1.4894		1.4295	2.5280	2.9189	4.2157	4.9522	5.9285	6.2123	5.6177	4.6219	3.7852	2.5280	1.4894	2.4099	2.4099	3.6640	4.6219	5.5330	6.2845	6.8212	7.1328	6.8212	6.2845	5.5330	4.6219	3.6640	4.2157	5.3288	5.9285	6.6633	6.8212	7.1205	7.2746	7.1205	6.8638	6.8638	6.2845
C25	5.5330	5.3288	4.2157	3.6640	4.6219	4.6219	3.6640	2.4099	2.4099	1.4894	2.5280	3.7852	4.6219	5.6177	5.9285	6.6633	6.8212	6.2123	5.9285	4.9522	4.2157	2.9189	2.5280	1.4295		1.4894	2.5280	3.7852	4.2157	5.3288	5.9285	5.6177	4.6219	4.2157	2.9189	2.5280	3.6640	3.6640	4.7229	5.6177	6.2845	6.8638	7.1205	7.2746	7.1205	6.8638	6.2845	5.6177	4.7229	4.9522	5.9285	6.2123	6.8212	6.6633	6.8212	7.1328	6.8212	6.2845	6.2845	5.5330
C26	5.3288	5.5330	4.6219	3.6640	4.2157	3.7852	2.5280	1.4894	2.4099	2.4099	3.6640	4.6219	5.5330	6.2845	6.2845	6.8212	7.1328	6.8212	6.6633	5.9285	5.3288	4.2157	3.7852	2.5280	1.4894		1.4295	2.5280	2.9189	4.2157	4.9522	4.7229	3.6640	3.6640	2.5280	2.9189	4.2157	4.6219	5.6177	6.2123	6.8212	7.1205	7.2746	7.1205	6.8638	6.8638	6.2845	5.9285	4.9522	4.7229	5.6177	5.6177	6.2845	5.9285	6.2123	6.8212	6.6633	5.9285	5.6177	4.6219
C27	5.9285	6.2845	5.6177	4.7229	4.9521	4.2157	2.9189	2.5280	3.6640	3.6640	4.7229	5.6177	6.2845	6.8638	6.8638	7.1205	7.2746	7.1205	6.8212	6.2123	5.9285	4.9522	4.2157	2.9189	2.5280	1.4295		1.4894	2.5280	3.7852	4.2157	3.6640	2.4099	2.4099	1.4894	2.5280	3.7852	4.6219	5.6177	5.9285	6.6633	6.8212	7.1328	6.8212	6.2845	6.2845	5.5330	5.3288	4.2157	3.6640	4.6219	4.6219	5.5330	5.3288	5.9285	6.6633	6.8212	6.2123	5.6177	4.6219
C28	5.6177	6.2845	5.9285	4.9522	4.7229	3.6640	2.5280	2.9189	4.2157	4.6219	5.6177	6.2123	6.8212	7.1205	6.8638	6.8638	7.1205	7.2746	7.1328	6.8212	6.6633	5.9285	5.3288	4.2157	3.7852	2.5280	1.4894		1.4295	2.5280	2.9189	2.5280	1.4894	2.4099	2.4099	3.6640	4.6219	5.5330	6.2845	6.2845	6.8212	6.6633	6.8212	6.2123	5.6177	5.9285	5.3288	5.5330	4.6219	3.6640	4.2157	3.7852	4.6219	4.2157	4.9522	5.9285	6.2845	5.6177	4.7229	3.6640
C29	4.6219	5.5330	5.3288	4.2157	3.6640	2.4099	1.4894	2.5280	3.7852	4.6219	5.6177	5.9285	6.6633	6.8212	6.2845	6.2845	6.8212	7.1328	7.2746	7.1205	6.8212	6.2123	5.9285	4.9522	4.2157	2.9189	2.5280	1.4295		1.4894	2.5280	2.9189	2.5280	3.6640	3.6640	4.7229	5.6177	6.2845	6.8638	6.8638	7.1205	6.8212	6.6633	5.9285	5.6177	6.2123	5.9285	6.2845	5.6177	4.7229	4.9522	4.2157	4.6219	3.7852	4.2157	5.3288	5.5330	4.6219	3.6640	2.4099
C30	4.2157	5.3288	5.5330	4.6219	3.6640	2.4099	2.4099	3.6640	4.6219	5.5330	6.2845	6.2845	6.8212	6.6633	5.9285	5.6177	6.2123	6.8212	7.1205	7.2746	7.1328	6.8212	6.6633	5.9285	5.3288	4.2157	3.7852	2.5280	1.4894		1.4295	2.5280	2.9189	4.2157	4.6219	5.6177	6.2123	6.8212	7.1205	6.8638	6.8638	6.2845	5.9285	4.9522	4.7229	5.6177	5.6177	6.2845	5.9285	4.9521	4.7229	3.6640	3.6640	2.5280	2.9189	4.2157	4.6219	3.7852	2.5280	1.4894
C31	4.9522	5.9285	6.2845	5.6177	4.7229	3.6640	3.6640	4.7229	5.6177	6.2845	6.8638	6.8638	7.1205	6.8212	6.2123	5.6177	5.9285	6.6633	6.8212	7.1328	7.2746	7.1205	6.8212	6.2123	5.9285	4.9522	4.2157	2.9189	2.5280	1.4295		1.4894	2.5280	3.7852	4.6219	5.6177	5.9285	6.6633	6.8212	6.2845	6.2845	5.5330	5.3288	4.2157	3.6640	4.6219	4.6219	5.5330	5.3288	4.2157	3.6640	2.4099	2.4099	1.4894	2.5280	3.7852	4.6219	4.2157	2.9189	2.5280
C32	5.9285	6.6633	6.8212	6.2123	5.6177	4.6219	4.2157	4.9522	5.9285	6.2845	6.8638	7.1205	7.2746	7.1328	6.8212	6.2845	6.2845	6.8212	6.6633	6.8212	7.1205	6.8638	6.2845	5.6177	5.6177	4.7229	3.6640	2.5280	2.9189	2.5280	1.4894		1.4295	2.5280	3.6640	4.7229	4.9522	5.9285	6.2123	5.6177	5.9285	5.3288	5.5330	4.6219	3.6640	4.2157	3.7852	4.6219	4.2157	2.9189	2.5280	1.4894	2.4099	2.4099	3.6640	4.6219	5.5330	5.3288	4.2157	3.7852
C33	6.2123	6.8212	6.6633	5.9285	5.6177	4.6219	3.7852	4.2157	5.3288	5.5330	6.2845	6.8212	7.1328	7.2746	7.1205	6.8638	6.8638	7.1205	6.8212	6.6633	6.8212	6.2845	5.5330	4.6219	4.6219	3.6640	2.4099	1.4894	2.5280	2.9189	2.5280	1.4295		1.4894	2.4099	3.6640	4.2157	5.3288	5.9285	5.6177	6.2123	5.9285	6.2845	5.6177	4.7229	4.9522	4.2157	4.6219	3.7852	2.5280	2.9189	2.5280	3.6640	3.6640	4.7229	5.6177	6.2845	5.9285	4.9522	4.2157
C34	6.8212	7.1328	6.8212	6.2845	6.2845	5.5330	4.6219	4.6219	5.5330	5.3288	5.9285	6.6633	6.8212	7.1205	7.2746	7.1205	6.8638	6.8638	6.2845	5.9285	6.2123	5.6177	4.6219	3.7852	4.2157	3.6640	2.4099	2.4099	3.6640	4.2157	3.7852	2.5280	1.4894		1.4894	2.5280	2.9189	4.2157	4.9522	4.7229	5.6177	5.6177	6.2845	5.9285	4.9522	4.7229	3.6640	3.6640	2.5280	1.4295	2.5280	2.9189	4.2157	4.6219	5.6177	6.2123	6.8212	6.6633	5.9285	5.3288
C35	6.6633	6.8212	6.2123	5.6177	5.9285	5.3288	4.2157	3.7852	4.6219	4.2157	4.9522	5.9285	6.2845	6.8638	7.1205	7.2746	7.1205	6.8638	6.2845	5.6177	5.6177	4.7229	3.6640	2.5280	2.9189	2.5280	1.4894	2.4099	3.6640	4.6219	4.6219	3.6640	2.4099	1.4894		1.4295	2.5280	3.6640	4.7229	4.9522	5.9285	6.2123	6.8212	6.6633	5.9285	5.6177	4.6219	4.2157	2.9189	2.5280	3.7852	4.2157	5.3288	5.5330	6.2845	6.8212	7.1328	6.8212	6.2845	5.5330
C36	6.8212	6.6633	5.9285	5.6177	6.2123	5.9285	4.9522	4.2157	4.6219	3.7852	4.2157	5.3288	5.5330	6.2845	6.8212	7.1328	6.8212	6.2845	5.5330	4.6219	4.6219	3.6640	2.4099	1.4894	2.5280	2.9189	2.5280	3.6640	4.7229	5.6177	5.6177	4.7229	3.6640	2.5280	1.4295		1.4894	2.4099	3.6640	4.2157	5.3288	5.9285	6.6633	6.8212	6.2123	5.6177	4.6219	3.7852	2.5280	2.9189	4.2157	4.9522	5.9285	6.2845	6.8638	7.1205	7.2746	7.1205	6.8638	6.2845
C37	7.1328	6.8212	6.2845	6.2845	6.8212	6.6633	5.9285	5.3288	5.5330	4.6219	4.6219	5.5330	5.3288	5.9285	6.6633	6.8212	6.2123	5.6177	4.6219	3.7852	4.2157	3.6640	2.4099	2.4099	3.6640	4.2157	3.7852	4.6219	5.6177	6.2123	5.9285	4.9522	4.2157	2.9189	2.5280	1.4894		1.4894	2.5280	2.9189	4.2157	4.9522	5.9285	6.2845	5.6177	4.7229	3.6640	2.5280	1.4295	2.5280	3.6640	4.7229	5.6177	6.2845	6.8638	6.8638	7.1205	7.2746	7.1205	6.8212
C38	6.8212	6.2123	5.6177	5.9285	6.6633	6.8212	6.2845	5.5330	5.3288	4.2157	3.7852	4.6219	4.2157	4.9522	5.9285	6.2845	5.6177	4.7229	3.6640	2.5280	2.9189	2.5280	1.4894	2.4099	3.6640	4.6219	4.6219	5.5330	6.2845	6.8212	6.6633	5.9285	5.3288	4.2157	3.6640	2.4099	1.4894		1.4295	2.5280	3.6640	4.7229	5.6177	6.2845	5.9285	4.9522	4.2157	2.9189	2.5280	3.7852	4.6219	5.6177	6.2123	6.8212	7.1205	6.8638	6.8638	7.1205	7.2746	7.1328
C39	6.6633	5.9285	5.6177	6.2123	6.8212	7.1205	6.8638	6.2845	5.9285	4.9522	4.2157	4.6219	3.7852	4.2157	5.3288	5.5330	4.6219	3.6640	2.4099	1.4894	2.5280	2.9189	2.5280	3.6640	4.7229	5.6177	5.6177	6.2845	6.8638	7.1205	6.8212	6.2123	5.9285	4.9522	4.7229	3.6640	2.5280	1.4295		1.4894	2.4099	3.6640	4.6219	5.5330	5.3288	4.2157	3.7852	2.5280	2.9189	4.2157	4.6219	5.6177	5.9285	6.6633	6.8212	6.2845	6.2845	6.8212	7.1328	7.2746
C40	6.8212	6.2845	6.2845	6.8212	7.1328	7.2746	7.1205	6.8212	6.6633	5.9285	5.3288	5.5330	4.6219	4.6219	5.5330	5.3288	4.2157	3.6640	2.4099	2.4099	3.6640	4.2157	3.7852	4.6219	5.6177	6.2123	5.9285	6.2845	6.8638	6.8638	6.2845	5.6177	5.6177	4.7229	4.9522	4.2157	2.9189	2.5280	1.4894		1.4894	2.5280	3.7852	4.6219	4.2157	2.9189	2.5280	1.4295	2.5280	3.6640	3.6640	4.7229	4.9522	5.9285	6.2123	5.6177	5.9285	6.6633	6.8212	7.1205
C41	6.2123	5.6177	5.9285	6.6633	6.8212	7.1205	7.2746	7.1328	6.8212	6.2845	5.5330	5.3288	4.2157	3.7852	4.6219	4.2157	2.9189	2.5280	1.4894	2.4099	3.6640	4.6219	4.6219	5.5330	6.2845	6.8212	6.6633	6.8212	7.1205	6.8638	6.2845	5.9285	6.2123	5.6177	5.9285	5.3288	4.2157	3.6640	2.4099	1.4894		1.4295	2.5280	3.6640	3.6640	2.5280	2.9189	2.5280	3.7852	4.6219	4.2157	4.9522	4.7229	5.6177	5.6177	4.7229	4.9522	5.9285	6.2845	6.8638
C42	5.9285	5.6177	6.2123	6.8212	6.6633	6.8212	7.1328	7.2746	7.1205	6.8638	6.2845	5.9285	4.9522	4.2157	4.6219	3.7852	2.5280	2.9189	2.5280	3.6640	4.7229	5.6177	5.6177	6.2845	6.8638	7.1205	6.8212	6.6633	6.8212	6.2845	5.5330	5.3288	5.9285	5.6177	6.2123	5.9285	4.9522	4.7229	3.6640	2.5280	1.4295		1.4894	2.4099	2.4099	1.4894	2.5280	2.9189	4.2157	4.6219	3.7852	4.2157	3.6640	4.6219	4.6219	3.6640	4.2157	5.3288	5.5330	6.2845
C43	4.9522	4.7229	5.6177	6.2845	5.9285	6.2123	6.8212	7.1205	6.8638	6.8638	6.2845	5.6177	4.7229	3.6640	3.6640	2.5280	1.4295	2.5280	2.9189	4.2157	4.9522	5.9285	6.2123	6.8212	7.1205	7.2746	7.1328	6.8212	6.6633	5.9285	5.3288	5.5330	6.2845	6.2845	6.8212	6.6633	5.9285	5.6177	4.6219	3.7852	2.5280	1.4894		1.4894	2.4099	2.4099	3.6640	4.2157	5.3288	5.5330	4.6219	4.6219	3.6640	4.2157	3.7852	2.5280	2.9189	4.2157	4.6219	5.6177
C44	4.7229	4.9522	5.9285	6.2845	5.6177	5.6177	6.2845	6.8638	6.8638	7.1205	6.8212	6.2123	5.6177	4.6219	4.2157	2.9189	2.5280	3.7852	4.2157	5.3288	5.9285	6.6633	6.8212	7.1328	7.2746	7.1205	6.8212	6.2123	5.9285	4.9522	4.2157	4.6219	5.6177	5.9285	6.6633	6.8212	6.2845	6.2845	5.5330	4.6219	3.6640	2.4099	1.4894		1.4894	2.4099	3.6640	4.6219	5.5330	5.3288	4.2157	3.7852	2.5280	2.9189	2.5280	1.4295	2.5280	3.6640	3.6640	4.7229
C45	5.6177	5.9285	6.6633	6.8212	6.2123	5.9285	6.2845	6.8638	7.1205	7.2746	7.1328	6.8212	6.2845	5.5330	5.3288	4.2157	3.6640	4.6219	4.6219	5.5330	6.2845	6.8212	6.6633	6.8212	7.1205	6.8638	6.2845	5.6177	5.6177	4.7229	3.6640	3.6640	4.7229	4.9522	5.9285	6.2123	5.6177	5.9285	5.3288	4.2157	3.6640	2.4099	2.4099	1.4894		1.4894	2.5280	3.7852	4.6219	4.2157	2.9189	2.5280	1.4295	2.5280	2.9189	2.5280	3.7852	4.6219	4.2157	4.9522
C46	6.2845	6.2845	6.8212	7.1328	6.8212	6.6633	6.8212	7.1205	7.2746	7.1205	6.8212	6.6633	5.9285	5.3288	5.5330	4.6219	3.6640	4.2157	3.7852	4.6219	5.6177	6.2123	5.9285	6.2845	6.8638	6.8638	6.2845	5.9285	6.2123	5.6177	4.6219	4.2157	4.9522	4.7229	5.6177	5.6177	4.7229	4.9522	4.2157	2.9189	2.5280	1.4894	2.4099	2.4099	1.4894		1.4295	2.5280	3.6640	3.6640	2.5280	2.9189	2.5280	3.7852	4.2157	3.6640	4.6219	5.5330	5.3288	5.9285
C47	6.8638	6.8638	7.1205	7.2746	7.1205	6.8212	6.6633	6.8212	7.1328	6.8212	6.6633	6.8212	6.2123	5.9285	6.2845	5.6177	4.7229	4.9522	4.2157	4.6219	5.6177	5.9285	5.3288	5.5330	6.2845	6.2845	5.5330	5.3288	5.9285	5.6177	4.6219	3.7852	4.2157	3.6640	4.6219	4.6219	3.6640	4.2157	3.7852	2.5280	2.9189	2.5280	3.6640	3.6640	2.5280	1.4295		1.4894	2.4099	2.4099	1.4894	2.5280	2.9189	4.2157	4.9522	4.7229	5.6177	6.2845	5.9285	6.2123
C48	7.1205	6.8638	6.8638	7.1205	7.2746	7.1328	6.8212	6.6633	6.8212	6.2123	5.9285	6.2845	5.6177	5.6177	6.2845	5.9285	4.9521	4.7229	3.6640	3.6640	4.7229	4.9522	4.2157	4.6219	5.6177	5.9285	5.3288	5.5330	6.2845	6.2845	5.5330	4.6219	4.6219	3.6640	4.2157	3.7852	2.5280	2.9189	2.5280	1.4295	2.5280	2.9189	4.2157	4.6219	3.7852	2.5280	1.4894		1.4894	2.4099	2.4099	3.6640	4.2157	5.3288	5.9285	5.6177	6.2123	6.8212	6.6633	6.8212
C49	7.2746	7.1205	6.8638	6.8638	7.1205	6.8212	6.2123	5.9285	6.2845	5.6177	5.6177	6.2845	5.9285	6.2123	6.8212	6.6633	5.9285	5.6177	4.6219	4.2157	4.9522	4.7229	3.6640	3.6640	4.7229	4.9522	4.2157	4.6219	5.6177	5.9285	5.3288	4.2157	3.7852	2.5280	2.9189	2.5280	1.4295	2.5280	2.9189	2.5280	3.7852	4.2157	5.3288	5.5330	4.6219	3.6640	2.4099	1.4894		1.4894	2.4099	3.6640	4.6219	5.5330	6.2845	6.2845	6.8212	7.1328	6.8212	6.6633
C50	7.1205	7.2746	7.1205	6.8638	6.8638	6.2845	5.6177	5.6177	6.2845	5.9285	6.2123	6.8212	6.6633	6.8212	7.1328	6.8212	6.2845	6.2845	5.5330	5.3288	5.9285	5.6177	4.6219	4.2157	4.9522	4.7229	3.6640	3.6640	4.7229	4.9521	4.2157	2.9189	2.5280	1.4295	2.5280	2.9189	2.5280	3.7852	4.2157	3.6640	4.6219	4.6219	5.5330	5.3288	4.2157	3.6640	2.4099	2.4099	1.4894		1.4894	2.5280	3.7852	4.6219	5.6177	5.9285	6.6633	6.8212	6.2123	5.9285
C51	6.8638	7.1205	7.2746	7.1205	6.8638	6.2845	5.9285	6.2123	6.8212	6.6633	6.8212	7.1328	6.8212	6.6633	6.8212	6.2123	5.6177	5.9285	5.3288	5.5330	6.2845	6.2845	5.5330	5.3288	5.9285	5.6177	4.6219	4.2157	4.9522	4.7229	3.6640	2.5280	2.9189	2.5280	3.7852	4.2157	3.6640	4.6219	4.6219	3.6640	4.2157	3.7852	4.6219	4.2157	2.9189	2.5280	1.4894	2.4099	2.4099	1.4894		1.4295	2.5280	3.6640	4.7229	4.9522	5.9285	6.2845	5.6177	5.6177
C52	6.2845	6.8212	7.1328	6.8212	6.2845	5.5330	5.3288	5.9285	6.6633	6.8212	7.1205	7.2746	7.1205	6.8212	6.6633	5.9285	5.6177	6.2123	5.9285	6.2845	6.8638	6.8638	6.2845	5.9285	6.2123	5.6177	4.6219	3.7852	4.2157	3.6640	2.4099	1.4894	2.5280	2.9189	4.2157	4.9522	4.7229	5.6177	5.6177	4.7229	4.9522	4.2157	4.6219	3.7852	2.5280	2.9189	2.5280	3.6640	3.6640	2.5280	1.4295		1.4894	2.4099	3.6640	4.2157	5.3288	5.5330	4.6219	4.6219
C53	5.6177	6.2123	6.8212	6.6633	5.9285	5.3288	5.5330	6.2845	6.8212	7.1328	7.2746	7.1205	6.8638	6.2845	5.9285	4.9522	4.7229	5.6177	5.6177	6.2845	6.8638	7.1205	6.8212	6.6633	6.8212	6.2845	5.5330	4.6219	4.6219	3.6640	2.4099	2.4099	3.6640	4.2157	5.3288	5.9285	5.6177	6.2123	5.9285	4.9522	4.7229	3.6640	3.6640	2.5280	1.4295	2.5280	2.9189	4.2157	4.6219	3.7852	2.5280	1.4894		1.4894	2.5280	2.9189	4.2157	4.6219	3.7852	4.2157
C54	4.7229	5.6177	6.2845	5.9285	4.9522	4.2157	4.6219	5.6177	6.2123	6.8212	7.1205	6.8638	6.8638	6.2845	5.6177	4.7229	4.9522	5.9285	6.2123	6.8212	7.1205	7.2746	7.1328	6.8212	6.6633	5.9285	5.3288	4.2157	3.7852	2.5280	1.4894	2.4099	3.6640	4.6219	5.5330	6.2845	6.2845	6.8212	6.6633	5.9285	5.6177	4.6219	4.2157	2.9189	2.5280	3.7852	4.2157	5.3288	5.5330	4.6219	3.6640	2.4099	1.4894		1.4295	2.5280	3.6640	3.6640	2.5280	2.9189
C55	3.6640	4.6219	5.5330	5.3288	4.2157	3.7852	4.6219	5.6177	5.9285	6.6633	6.8212	6.2845	6.2845	5.5330	4.6219	3.6640	4.2157	5.3288	5.9285	6.6633	6.8212	7.1328	7.2746	7.1205	6.8212	6.2123	5.9285	4.9522	4.2157	2.9189	2.5280	3.6640	4.7229	5.6177	6.2845	6.8638	6.8638	7.1205	6.8212	6.2123	5.6177	4.6219	3.7852	2.5280	2.9189	4.2157	4.9522	5.9285	6.2845	5.6177	4.7229	3.6640	2.5280	1.4295		1.4894	2.4099	2.4099	1.4894	2.5280
C56	3.6640	4.2157	5.3288	5.5330	4.6219	4.6219	5.5330	6.2845	6.2845	6.8212	6.6633	5.9285	5.6177	4.6219	3.7852	2.5280	2.9189	4.2157	4.9522	5.9285	6.2123	6.8212	7.1205	7.2746	7.1328	6.8212	6.6633	5.9285	5.3288	4.2157	3.7852	4.6219	5.6177	6.2123	6.8212	7.1205	6.8638	6.8638	6.2845	5.6177	4.7229	3.6640	2.5280	1.4295	2.5280	3.6640	4.7229	5.6177	6.2845	5.9285	4.9522	4.2157	2.9189	2.5280	1.4894		1.4894	2.4099	2.4099	3.6640
C57	2.5280	2.9189	4.2157	4.6219	3.7852	4.2157	5.3288	5.9285	5.6177	6.2123	5.9285	4.9522	4.7229	3.6640	2.5280	1.4295	2.5280	3.6640	4.7229	5.6177	5.6177	6.2845	6.8638	7.1205	6.8212	6.6633	6.8212	6.2845	5.5330	4.6219	4.6219	5.5330	6.2845	6.8212	7.1328	7.2746	7.1205	6.8638	6.2845	5.9285	4.9522	4.2157	2.9189	2.5280	3.7852	4.6219	5.6177	6.2123	6.8212	6.6633	5.9285	5.3288	4.2157	3.6640	2.4099	1.4894		1.4894	2.4099	3.6640
C58	1.4295	2.5280	3.6640	3.6640	2.5280	2.9189	4.2157	4.9522	4.7229	5.6177	5.6177	4.7229	4.9522	4.2157	2.9189	2.5280	3.7852	4.6219	5.6177	6.2123	5.9285	6.2845	6.8638	6.8638	6.2845	5.9285	6.2123	5.6177	4.6219	3.7852	4.2157	5.3288	5.9285	6.6633	6.8212	7.1205	7.2746	7.1205	6.8212	6.6633	5.9285	5.3288	4.2157	3.6640	4.6219	5.5330	6.2845	6.8212	7.1328	6.8212	6.2845	5.5330	4.6219	3.6640	2.4099	2.4099	1.4894		1.4894	2.5280
C59	2.5280	3.7852	4.6219	4.2157	2.9189	2.5280	3.6640	4.7229	4.9522	5.9285	6.2123	5.6177	5.9285	5.3288	4.2157	3.6640	4.6219	5.5330	6.2845	6.8212	6.6633	6.8212	7.1205	6.8638	6.2845	5.6177	5.6177	4.7229	3.6640	2.5280	2.9189	4.2157	4.9522	5.9285	6.2845	6.8638	7.1205	7.2746	7.1328	6.8212	6.2845	5.5330	4.6219	3.6640	4.2157	5.3288	5.9285	6.6633	6.8212	6.2123	5.6177	4.6219	3.7852	2.5280	1.4894	2.4099	2.4099	1.4894		1.4295
C60	2.9189	4.2157	4.6219	3.7852	2.5280	1.4894	2.4099	3.6640	4.2157	5.3288	5.9285	5.6177	6.2123	5.9285	4.9522	4.7229	5.6177	6.2845	6.8638	7.1205	6.8212	6.6633	6.8212	6.2845	5.5330	4.6219	4.6219	3.6640	2.4099	1.4894	2.5280	3.7852	4.2157	5.3288	5.5330	6.2845	6.8212	7.1328	7.2746	7.1205	6.8638	6.2845	5.6177	4.7229	4.9522	5.9285	6.2123	6.8212	6.6633	5.9285	5.6177	4.6219	4.2157	2.9189	2.5280	3.6640	3.6640	2.5280	1.4295

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 BLYP/STO-3G Charges (e)

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

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

	x	y	z	Total
	0.000	0.000	0.000	0.000
CHELPG
AIM
ESP

Electric Quadrupole moment
Quadrupole components in D Å

Primitive   x y z x -303.140 0.000 0.000 y 0.000 -303.140 0.000 z 0.000 0.000 -303.140

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	55.601	0.000	0.000
y	0.000	55.601	0.000
z	0.000	0.000	55.601

<r²> (average value of r²) Ų

<r2>	4952.132
(<r2>)1/2	70.371