All results from a given calculation for C₆₀ (Buckminsterfullerene)

Energy calculated at BLYP/6-311G*

	hartrees
Energy at 0K	-2285.859497
Energy at 298.15K	-2285.857019
HF Energy	-2285.859497
Nuclear repulsion energy	8277.714511

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/6-311G*

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	1433	1430	0.00
2	Ag	479	478	0.00
3	Au	946	943	0.00
4	T1g	1248	1245	0.00
4	T1g	1248	1245	0.00
4	T1g	1248	1245	0.00
5	T1g	820	818	0.00
5	T1g	820	818	0.00
5	T1g	820	818	0.00
6	T1g	560	558	0.00
6	T1g	560	558	0.00
6	T1g	560	558	0.00
7	T1u	1392	1388	8.93
7	T1u	1392	1388	8.93
7	T1u	1392	1388	8.93
8	T1u	1162	1159	8.03
8	T1u	1162	1159	8.03
8	T1u	1162	1159	8.03
9	T1u	567	566	12.99
9	T1u	567	566	12.99
9	T1u	567	566	12.99
10	T1u	527	525	22.44
10	T1u	527	525	22.44
10	T1u	527	525	22.44
11	T2g	1298	1295	0.00
11	T2g	1298	1295	0.00
11	T2g	1298	1295	0.00
12	T2g	787	785	0.00
12	T2g	787	785	0.00
12	T2g	787	785	0.00
13	T2g	721	719	0.00
13	T2g	721	719	0.00
13	T2g	721	719	0.00
14	T2g	552	550	0.00
14	T2g	552	550	0.00
14	T2g	552	550	0.00
15	T2u	1493	1490	0.00
15	T2u	1493	1490	0.00
15	T2u	1493	1490	0.00
16	T2u	1152	1149	0.00
16	T2u	1152	1149	0.00
16	T2u	1152	1149	0.00
17	T2u	946	943	0.00
17	T2u	946	943	0.00
17	T2u	946	943	0.00
18	T2u	706	704	0.00
18	T2u	706	704	0.00
81	T2u	706	704	0.00
19	T2u	338	337	0.00
19	T2u	338	337	0.00
19	T2u	338	337	0.00
20	Gg	1461	1457	0.00
20	Gg	1461	1457	0.00
20	Gg	1461	1457	0.00
20	Gg	1461	1457	0.00
21	Gg	1282	1278	0.00
21	Gg	1282	1278	0.00
21	Gg	1282	1278	0.00
21	Gg	1282	1278	0.00
22	Gg	1051	1049	0.00
22	Gg	1051	1049	0.00
22	Gg	1051	1049	0.00
22	Gg	1051	1049	0.00
23	Gg	737	735	0.00
23	Gg	737	735	0.00
23	Gg	737	735	0.00
23	Gg	737	735	0.00
24	Gg	564	562	0.00
24	Gg	564	562	0.00
24	Gg	564	562	0.00
24	Gg	564	562	0.00
25	Gg	476	475	0.00
25	Gg	476	475	0.00
25	Gg	476	475	0.00
25	Gg	476	475	0.00
26	Gu	1388	1384	0.00
26	Gu	1388	1384	0.00
26	Gu	1388	1384	0.00
26	Gu	1388	1384	0.00
27	Gu	1269	1266	0.00
27	Gu	1269	1266	0.00
27	Gu	1269	1266	0.00
27	Gu	1269	1266	0.00
28	Gu	944	942	0.00
28	Gu	944	942	0.00
28	Gu	944	942	0.00
28	Gu	944	942	0.00
29	Gu	747	746	0.00
29	Gu	747	746	0.00
29	Gu	747	746	0.00
29	Gu	747	746	0.00
30	Gu	736	734	0.00
30	Gu	736	734	0.00
30	Gu	736	734	0.00
30	Gu	736	734	0.00
31	Gu	347	346	0.00
31	Gu	347	346	0.00
31	Gu	347	346	0.00
31	Gu	347	346	0.00
32	Hg	1535	1531	0.00
32	Hg	1535	1531	0.00
32	Hg	1535	1531	0.00
32	Hg	1535	1531	0.00
32	Hg	1535	1531	0.00
33	Hg	1383	1380	0.00
33	Hg	1383	1380	0.00
33	Hg	1383	1380	0.00
33	Hg	1383	1380	0.00
33	Hg	1383	1380	0.00
34	Hg	1210	1207	0.00
34	Hg	1210	1207	0.00
34	Hg	1210	1207	0.00
34	Hg	1210	1207	0.00
34	Hg	1210	1207	0.00
35	Hg	1083	1080	0.00
35	Hg	1083	1080	0.00
35	Hg	1083	1080	0.00
35	Hg	1083	1080	0.00
35	Hg	1083	1080	0.00
36	Hg	759	757	0.00
36	Hg	759	757	0.00
36	Hg	759	757	0.00
36	Hg	759	757	0.00
36	Hg	759	757	0.00
37	Hg	701	699	0.00
37	Hg	701	699	0.00
37	Hg	701	699	0.00
37	Hg	701	699	0.00
37	Hg	701	699	0.00
38	Hg	428	427	0.00
38	Hg	428	427	0.00
38	Hg	428	427	0.00
38	Hg	428	427	0.00
38	Hg	428	427	0.00
39	Hg	258	258	0.00
39	Hg	258	258	0.00
39	Hg	258	258	0.00
39	Hg	258	258	0.00
39	Hg	258	258	0.00
40	Hu	1524	1520	0.00
40	Hu	1524	1520	0.00
40	Hu	1524	1520	0.00
40	Hu	1524	1520	0.00
40	Hu	1524	1520	0.00
41	Hu	1308	1305	0.00
41	Hu	1308	1305	0.00
41	Hu	1308	1305	0.00
41	Hu	1308	1305	0.00
41	Hu	1308	1305	0.00
42	Hu	1188	1185	0.00
42	Hu	1188	1185	0.00
42	Hu	1188	1185	0.00
42	Hu	1188	1185	0.00
42	Hu	1188	1185	0.00
43	Hu	724	722	0.00
43	Hu	724	722	0.00
43	Hu	724	722	0.00
43	Hu	724	722	0.00
43	Hu	724	722	0.00
44	Hu	662	661	0.00
44	Hu	662	661	0.00
44	Hu	662	661	0.00
44	Hu	662	661	0.00
44	Hu	662	661	0.00
45	Hu	527	526	0.00
45	Hu	527	526	0.00
45	Hu	527	526	0.00
45	Hu	527	526	0.00
45	Hu	527	526	0.00
46	Hu	397	396	0.00
46	Hu	397	396	0.00
46	Hu	397	396	0.00
46	Hu	397	396	0.00
46	Hu	397	396	0.00

Unscaled Zero Point Vibrational Energy (zpe) 79051.8 cm^-1
Scaled (by 0.9975) Zero Point Vibrational Energy (zpe) 78854.1 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/6-311G*

A	B	C
0.00275	0.00275	0.00275

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

Geometric Data calculated at BLYP/6-311G*

Point Group is I_h

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.243	3.348
C2	-1.182	0.384	3.348
C3	-0.731	-1.006	3.348
C4	0.731	-1.006	3.348
C5	1.182	0.384	3.348
C6	2.319	0.753	2.609
C7	3.050	-0.252	1.841
C8	2.615	-1.588	1.841
C9	1.433	-1.973	2.609
C10	0.703	-2.978	1.841
C11	-0.703	-2.978	1.841
C12	-1.433	-1.973	2.609
C13	-2.615	-1.588	1.841
C14	-3.050	-0.252	1.841
C15	-2.319	0.753	2.609
C16	-2.319	1.997	1.841
C17	-3.050	1.759	0.598
C18	-3.501	0.369	0.598
C19	-3.501	-0.369	-0.598
C20	-3.050	-1.759	-0.598
C21	-2.615	-2.357	0.598
C22	-1.433	-3.216	0.598
C23	-0.731	-3.444	-0.598
C24	0.731	-3.444	-0.598
C25	1.433	-3.216	0.598
C26	2.615	-2.357	0.598
C27	3.050	-1.759	-0.598
C28	3.501	-0.369	-0.598
C29	3.501	0.369	0.598
C30	3.050	1.759	0.598
C31	2.615	2.357	-0.598
C32	2.615	1.588	-1.841
C33	3.050	0.252	-1.841
C34	2.319	-0.753	-2.609
C35	2.319	-1.997	-1.841
C36	1.182	-2.822	-1.841
C37	0.000	-2.438	-2.609
C38	-1.182	-2.822	-1.841
C39	-2.319	-1.997	-1.841
C40	-2.319	-0.753	-2.609
C41	-3.050	0.252	-1.841
C42	-2.615	1.588	-1.841
C43	-2.615	2.357	-0.598
C44	-1.433	3.216	-0.598
C45	-0.703	2.978	-1.841
C46	-1.433	1.973	-2.609
C47	-0.731	1.006	-3.348
C48	-1.182	-0.384	-3.348
C49	0.000	-1.243	-3.348
C50	1.182	-0.384	-3.348
C51	0.731	1.006	-3.348
C52	1.433	1.973	-2.609
C53	0.703	2.978	-1.841
C54	1.433	3.216	-0.598
C55	0.731	3.444	0.598
C56	-0.731	3.444	0.598
C57	-1.182	2.822	1.841
C58	0.000	2.438	2.609
C59	1.182	2.822	1.841
C60	2.319	1.997	1.841

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		1.4614	2.3645	2.3645	1.4614	2.4825	3.7158	4.1388	3.5973	4.5371	4.5371	3.5973	4.1388	3.7158	2.4825	2.8664	4.1388	4.5371	5.5158	5.8206	5.2309	5.4312	6.1699	6.1699	5.4312	5.2309	5.8206	5.5158	4.5371	4.1388	4.8627	5.8206	6.0993	6.6967	6.5416	6.6967	7.0024	6.6967	6.5416	6.6967	6.0993	5.8206	4.8627	4.6379	5.5158	6.1699	6.7392	6.9909	7.1420	6.9909	6.7392	6.1699	5.5158	4.6379	3.5973	3.5973	2.4825	1.4050	2.4825	2.8664
C2	1.4614		1.4614	2.3645	2.3645	3.5973	4.5371	4.5371	3.5973	4.1388	3.7158	2.4825	2.8664	2.4825	1.4050	2.4825	3.5973	3.5973	4.6379	4.8627	4.1388	4.5371	5.5158	5.8206	5.2309	5.4312	6.1699	6.1699	5.4312	5.2309	5.8206	6.5416	6.6967	7.0024	6.6967	6.5416	6.6967	6.0993	5.8206	6.1699	5.5158	5.5158	4.6379	4.8627	5.8206	6.1699	6.7392	6.7392	6.9909	7.1420	6.9909	6.6967	6.0993	5.5158	4.5371	4.1388	2.8664	2.4825	3.7158	4.1388
C3	2.3645	1.4614		1.4614	2.3645	3.5973	4.1388	3.7158	2.4825	2.8664	2.4825	1.4050	2.4825	2.8664	2.4825	3.7158	4.5371	4.1388	4.8627	4.6379	3.5973	3.5973	4.6379	4.8627	4.1388	4.5371	5.5158	5.8206	5.2309	5.4312	6.1699	6.6967	6.5416	6.6967	6.0993	5.8206	6.1699	5.5158	5.5158	6.1699	5.8206	6.0993	5.5158	5.8206	6.5416	6.6967	6.9909	6.7392	6.7392	6.9909	7.1420	7.0024	6.6967	6.1699	5.4312	5.2309	4.1388	3.5973	4.5371	4.5371
C4	2.3645	2.3645	1.4614		1.4614	2.4825	2.8664	2.4825	1.4050	2.4825	2.8664	2.4825	3.7158	4.1388	3.5973	4.5371	5.4312	5.2309	5.8206	5.5158	4.5371	4.1388	4.8627	4.6379	3.5973	3.5973	4.6379	4.8627	4.1388	4.5371	5.5158	6.0993	5.8206	6.1699	5.5158	5.5158	6.1699	5.8206	6.0993	6.6967	6.5416	6.6967	6.1699	6.1699	6.6967	7.0024	7.1420	6.9909	6.7392	6.7392	6.9909	6.6967	6.5416	5.8206	5.2309	5.4312	4.5371	3.5973	4.1388	3.7158
C5	1.4614	2.3645	2.3645	1.4614		1.4050	2.4825	2.8664	2.4825	3.7158	4.1388	3.5973	4.5371	4.5371	3.5973	4.1388	5.2309	5.4312	6.1699	6.1699	5.4312	5.2309	5.8206	5.5158	4.5371	4.1388	4.8627	4.6379	3.5973	3.5973	4.6379	5.5158	5.5158	6.1699	5.8206	6.0993	6.6967	6.5416	6.6967	7.0024	6.6967	6.5416	5.8206	5.5158	6.0993	6.6967	6.9909	7.1420	6.9909	6.7392	6.7392	6.1699	5.8206	4.8627	4.1388	4.5371	3.7158	2.4825	2.8664	2.4825
C6	2.4825	3.5973	3.5973	2.4825	1.4050		1.4614	2.4825	2.8664	4.1388	4.8627	4.6379	5.5158	5.5158	4.6379	4.8627	5.8206	6.1699	6.7392	6.7392	6.1699	5.8206	6.0993	5.5158	4.5371	3.7158	4.1388	3.5973	2.3645	2.3645	3.5973	4.5371	4.5371	5.4312	5.2309	5.8206	6.5416	6.6967	6.9909	7.1420	6.9909	6.6967	6.0993	5.5158	5.8206	6.5416	6.6967	7.0024	6.6967	6.1699	6.1699	5.4312	5.2309	4.1388	3.7158	4.5371	4.1388	2.8664	2.4825	1.4614
C7	3.7158	4.5371	4.1388	2.8664	2.4825	1.4614		1.4050	2.4825	3.5973	4.6379	4.8627	5.8206	6.0993	5.5158	5.8206	6.5416	6.6967	6.9909	6.7392	6.1699	5.5158	5.5158	4.6379	3.5973	2.4825	2.8664	2.4825	1.4614	2.3645	3.5973	4.1388	3.7158	4.5371	4.1388	4.8627	5.8206	6.1699	6.7392	6.9909	7.1420	7.0024	6.6967	6.1699	6.1699	6.6967	6.5416	6.6967	6.0993	5.5158	5.8206	5.2309	5.4312	4.5371	4.5371	5.4312	5.2309	4.1388	3.5973	2.3645
C8	4.1388	4.5371	3.7158	2.4825	2.8664	2.4825	1.4050		1.4614	2.3645	3.5973	4.1388	5.2309	5.8206	5.5158	6.0993	6.6967	6.5416	6.6967	6.1699	5.4312	4.5371	4.5371	3.5973	2.3645	1.4614	2.4825	2.8664	2.4825	3.5973	4.6379	4.8627	4.1388	4.5371	3.7158	4.1388	5.2309	5.4312	6.1699	6.6967	7.0024	7.1420	6.9909	6.7392	6.7392	6.9909	6.6967	6.5416	5.8206	5.5158	6.0993	5.8206	6.1699	5.5158	5.5158	6.1699	5.8206	4.8627	4.6379	3.5973
C9	3.5973	3.5973	2.4825	1.4050	2.4825	2.8664	2.4825	1.4614		1.4614	2.4825	2.8664	4.1388	4.8627	4.6379	5.5158	6.1699	5.8206	6.0993	5.5158	4.5371	3.7158	4.1388	3.5973	2.3645	2.3645	3.5973	4.1388	3.7158	4.5371	5.5158	5.8206	5.2309	5.4312	4.5371	4.5371	5.4312	5.2309	5.8206	6.5416	6.6967	6.9909	6.7392	6.7392	6.9909	7.1420	7.0024	6.6967	6.1699	6.1699	6.6967	6.5416	6.6967	6.0993	5.8206	6.1699	5.5158	4.6379	4.8627	4.1388
C10	4.5371	4.1388	2.8664	2.4825	3.7158	4.1388	3.5973	2.3645	1.4614		1.4050	2.4825	3.5973	4.6379	4.8627	5.8206	6.1699	5.5158	5.5158	4.6379	3.5973	2.4825	2.8664	2.4825	1.4614	2.3645	3.5973	4.5371	4.5371	5.4312	6.1699	6.1699	5.4312	5.2309	4.1388	3.7158	4.5371	4.1388	4.8627	5.8206	6.1699	6.7392	6.7392	6.9909	7.1420	6.9909	6.6967	6.0993	5.5158	5.8206	6.5416	6.6967	7.0024	6.6967	6.5416	6.6967	6.0993	5.5158	5.8206	5.2309
C11	4.5371	3.7158	2.4825	2.8664	4.1388	4.8627	4.6379	3.5973	2.4825	1.4050		1.4614	2.3645	3.5973	4.1388	5.2309	5.4312	4.5371	4.5371	3.5973	2.3645	1.4614	2.4825	2.8664	2.4825	3.5973	4.6379	5.5158	5.5158	6.1699	6.7392	6.7392	6.1699	5.8206	4.8627	4.1388	4.5371	3.7158	4.1388	5.2309	5.4312	6.1699	6.1699	6.6967	7.0024	6.6967	6.5416	5.8206	5.5158	6.0993	6.6967	6.9909	7.1420	6.9909	6.6967	6.5416	5.8206	5.5158	6.0993	5.8206
C12	3.5973	2.4825	1.4050	2.4825	3.5973	4.6379	4.8627	4.1388	2.8664	2.4825	1.4614		1.4614	2.4825	2.8664	4.1388	4.5371	3.7158	4.1388	3.5973	2.3645	2.3645	3.5973	4.1388	3.7158	4.5371	5.5158	6.0993	5.8206	6.1699	6.7392	6.9909	6.6967	6.5416	5.8206	5.2309	5.4312	4.5371	4.5371	5.4312	5.2309	5.8206	5.5158	6.0993	6.6967	6.5416	6.6967	6.1699	6.1699	6.6967	7.0024	7.1420	6.9909	6.7392	6.1699	5.8206	4.8627	4.6379	5.5158	5.5158
C13	4.1388	2.8664	2.4825	3.7158	4.5371	5.5158	5.8206	5.2309	4.1388	3.5973	2.3645	1.4614		1.4050	2.4825	3.5973	3.5973	2.4825	2.8664	2.4825	1.4614	2.3645	3.5973	4.5371	4.5371	5.4312	6.1699	6.6967	6.5416	6.6967	6.9909	7.1420	7.0024	6.6967	6.1699	5.4312	5.2309	4.1388	3.7158	4.5371	4.1388	4.8627	4.6379	5.5158	6.1699	5.8206	6.0993	5.5158	5.8206	6.5416	6.6967	6.9909	6.7392	6.7392	6.1699	5.5158	4.6379	4.8627	5.8206	6.0993
C14	3.7158	2.4825	2.8664	4.1388	4.5371	5.5158	6.0993	5.8206	4.8627	4.6379	3.5973	2.4825	1.4050		1.4614	2.3645	2.3645	1.4614	2.4825	2.8664	2.4825	3.5973	4.6379	5.5158	5.5158	6.1699	6.7392	6.9909	6.6967	6.5416	6.6967	7.0024	7.1420	6.9909	6.7392	6.1699	5.8206	4.8627	4.1388	4.5371	3.7158	4.1388	3.5973	4.5371	5.4312	5.2309	5.8206	5.5158	6.0993	6.6967	6.5416	6.6967	6.1699	6.1699	5.4312	4.5371	3.5973	4.1388	5.2309	5.8206
C15	2.4825	1.4050	2.4825	3.5973	3.5973	4.6379	5.5158	5.5158	4.6379	4.8627	4.1388	2.8664	2.4825	1.4614		1.4614	2.3645	2.3645	3.5973	4.1388	3.7158	4.5371	5.5158	6.0993	5.8206	6.1699	6.7392	6.7392	6.1699	5.8206	6.0993	6.6967	6.9909	7.1420	6.9909	6.6967	6.5416	5.8206	5.2309	5.4312	4.5371	4.5371	3.5973	4.1388	5.2309	5.4312	6.1699	6.1699	6.6967	7.0024	6.6967	6.5416	5.8206	5.5158	4.5371	3.7158	2.4825	2.8664	4.1388	4.8627
C16	2.8664	2.4825	3.7158	4.5371	4.1388	4.8627	5.8206	6.0993	5.5158	5.8206	5.2309	4.1388	3.5973	2.3645	1.4614		1.4614	2.3645	3.5973	4.5371	4.5371	5.4312	6.1699	6.6967	6.5416	6.6967	6.9909	6.7392	6.1699	5.5158	5.5158	6.1699	6.7392	6.9909	7.1420	7.0024	6.6967	6.1699	5.4312	5.2309	4.1388	3.7158	2.4825	2.8664	4.1388	4.5371	5.5158	5.8206	6.5416	6.6967	6.0993	5.8206	4.8627	4.6379	3.5973	2.4825	1.4050	2.4825	3.5973	4.6379
C17	4.1388	3.5973	4.5371	5.4312	5.2309	5.8206	6.5416	6.6967	6.1699	6.1699	5.4312	4.5371	3.5973	2.3645	2.3645	1.4614		1.4614	2.4825	3.7158	4.1388	5.2309	5.8206	6.5416	6.6967	7.0024	7.1420	6.9909	6.6967	6.0993	5.8206	6.1699	6.7392	6.7392	6.9909	6.6967	6.0993	5.5158	4.5371	4.1388	2.8664	2.4825	1.4050	2.4825	3.5973	3.5973	4.6379	4.8627	5.8206	6.1699	5.5158	5.5158	4.6379	4.8627	4.1388	2.8664	2.4825	3.7158	4.5371	5.5158
C18	4.5371	3.5973	4.1388	5.2309	5.4312	6.1699	6.6967	6.5416	5.8206	5.5158	4.5371	3.7158	2.4825	1.4614	2.3645	2.3645	1.4614		1.4050	2.4825	2.8664	4.1388	4.8627	5.8206	6.0993	6.6967	6.9909	7.1420	7.0024	6.6967	6.5416	6.6967	6.9909	6.7392	6.7392	6.1699	5.5158	4.6379	3.5973	3.5973	2.4825	2.8664	2.4825	3.7158	4.5371	4.1388	4.8627	4.6379	5.5158	6.1699	5.8206	6.0993	5.5158	5.8206	5.2309	4.1388	3.5973	4.5371	5.4312	6.1699
C19	5.5158	4.6379	4.8627	5.8206	6.1699	6.7392	6.9909	6.6967	6.0993	5.5158	4.5371	4.1388	2.8664	2.4825	3.5973	3.5973	2.4825	1.4050		1.4614	2.4825	3.7158	4.1388	5.2309	5.8206	6.5416	6.6967	7.0024	7.1420	6.9909	6.6967	6.5416	6.6967	6.1699	6.1699	5.4312	4.5371	3.5973	2.3645	2.3645	1.4614	2.4825	2.8664	4.1388	4.5371	3.7158	4.1388	3.5973	4.5371	5.4312	5.2309	5.8206	5.5158	6.0993	5.8206	4.8627	4.6379	5.5158	6.1699	6.7392
C20	5.8206	4.8627	4.6379	5.5158	6.1699	6.7392	6.7392	6.1699	5.5158	4.6379	3.5973	3.5973	2.4825	2.8664	4.1388	4.5371	3.7158	2.4825	1.4614		1.4050	2.4825	2.8664	4.1388	4.8627	5.8206	6.0993	6.6967	6.9909	7.1420	7.0024	6.6967	6.5416	5.8206	5.5158	4.5371	3.7158	2.4825	1.4614	2.3645	2.3645	3.5973	4.1388	5.2309	5.4312	4.5371	4.5371	3.5973	4.1388	5.2309	5.4312	6.1699	6.1699	6.6967	6.5416	5.8206	5.5158	6.0993	6.6967	6.9909
C21	5.2309	4.1388	3.5973	4.5371	5.4312	6.1699	6.1699	5.4312	4.5371	3.5973	2.3645	2.3645	1.4614	2.4825	3.7158	4.5371	4.1388	2.8664	2.4825	1.4050		1.4614	2.4825	3.7158	4.1388	5.2309	5.8206	6.5416	6.6967	7.0024	7.1420	6.9909	6.6967	6.0993	5.5158	4.5371	4.1388	2.8664	2.4825	3.5973	3.5973	4.6379	4.8627	5.8206	6.1699	5.5158	5.5158	4.6379	4.8627	5.8206	6.1699	6.7392	6.7392	6.9909	6.6967	6.0993	5.5158	5.8206	6.5416	6.6967
C22	5.4312	4.5371	3.5973	4.1388	5.2309	5.8206	5.5158	4.5371	3.7158	2.4825	1.4614	2.3645	2.3645	3.5973	4.5371	5.4312	5.2309	4.1388	3.7158	2.4825	1.4614		1.4050	2.4825	2.8664	4.1388	4.8627	5.8206	6.0993	6.6967	6.9909	6.7392	6.1699	5.5158	4.6379	3.5973	3.5973	2.4825	2.8664	4.1388	4.5371	5.5158	5.8206	6.5416	6.6967	6.0993	5.8206	4.8627	4.6379	5.5158	6.1699	6.7392	6.9909	7.1420	7.0024	6.6967	6.1699	6.1699	6.6967	6.5416
C23	6.1699	5.5158	4.6379	4.8627	5.8206	6.0993	5.5158	4.5371	4.1388	2.8664	2.4825	3.5973	3.5973	4.6379	5.5158	6.1699	5.8206	4.8627	4.1388	2.8664	2.4825	1.4050		1.4614	2.4825	3.7158	4.1388	5.2309	5.8206	6.5416	6.6967	6.1699	5.4312	4.5371	3.5973	2.3645	2.3645	1.4614	2.4825	3.7158	4.5371	5.5158	6.0993	6.6967	6.5416	5.8206	5.2309	4.1388	3.5973	4.5371	5.4312	6.1699	6.6967	7.0024	7.1420	6.9909	6.7392	6.7392	6.9909	6.6967
C24	6.1699	5.8206	4.8627	4.6379	5.5158	5.5158	4.6379	3.5973	3.5973	2.4825	2.8664	4.1388	4.5371	5.5158	6.0993	6.6967	6.5416	5.8206	5.2309	4.1388	3.7158	2.4825	1.4614		1.4050	2.4825	2.8664	4.1388	4.8627	5.8206	6.0993	5.5158	4.5371	3.7158	2.4825	1.4614	2.3645	2.3645	3.5973	4.5371	5.4312	6.1699	6.6967	7.0024	6.6967	6.1699	5.4312	4.5371	3.5973	4.1388	5.2309	5.8206	6.5416	6.6967	6.9909	7.1420	6.9909	6.7392	6.7392	6.1699
C25	5.4312	5.2309	4.1388	3.5973	4.5371	4.5371	3.5973	2.3645	2.3645	1.4614	2.4825	3.7158	4.5371	5.5158	5.8206	6.5416	6.6967	6.0993	5.8206	4.8627	4.1388	2.8664	2.4825	1.4050		1.4614	2.4825	3.7158	4.1388	5.2309	5.8206	5.5158	4.5371	4.1388	2.8664	2.4825	3.5973	3.5973	4.6379	5.5158	6.1699	6.7392	6.9909	7.1420	6.9909	6.7392	6.1699	5.5158	4.6379	4.8627	5.8206	6.0993	6.6967	6.5416	6.6967	7.0024	6.6967	6.1699	6.1699	5.4312
C26	5.2309	5.4312	4.5371	3.5973	4.1388	3.7158	2.4825	1.4614	2.3645	2.3645	3.5973	4.5371	5.4312	6.1699	6.1699	6.6967	7.0024	6.6967	6.5416	5.8206	5.2309	4.1388	3.7158	2.4825	1.4614		1.4050	2.4825	2.8664	4.1388	4.8627	4.6379	3.5973	3.5973	2.4825	2.8664	4.1388	4.5371	5.5158	6.0993	6.6967	6.9909	7.1420	6.9909	6.7392	6.7392	6.1699	5.8206	4.8627	4.6379	5.5158	5.5158	6.1699	5.8206	6.0993	6.6967	6.5416	5.8206	5.5158	4.5371
C27	5.8206	6.1699	5.5158	4.6379	4.8627	4.1388	2.8664	2.4825	3.5973	3.5973	4.6379	5.5158	6.1699	6.7392	6.7392	6.9909	7.1420	6.9909	6.6967	6.0993	5.8206	4.8627	4.1388	2.8664	2.4825	1.4050		1.4614	2.4825	3.7158	4.1388	3.5973	2.3645	2.3645	1.4614	2.4825	3.7158	4.5371	5.5158	5.8206	6.5416	6.6967	7.0024	6.6967	6.1699	6.1699	5.4312	5.2309	4.1388	3.5973	4.5371	4.5371	5.4312	5.2309	5.8206	6.5416	6.6967	6.0993	5.5158	4.5371
C28	5.5158	6.1699	5.8206	4.8627	4.6379	3.5973	2.4825	2.8664	4.1388	4.5371	5.5158	6.0993	6.6967	6.9909	6.7392	6.7392	6.9909	7.1420	7.0024	6.6967	6.5416	5.8206	5.2309	4.1388	3.7158	2.4825	1.4614		1.4050	2.4825	2.8664	2.4825	1.4614	2.3645	2.3645	3.5973	4.5371	5.4312	6.1699	6.1699	6.6967	6.5416	6.6967	6.0993	5.5158	5.8206	5.2309	5.4312	4.5371	3.5973	4.1388	3.7158	4.5371	4.1388	4.8627	5.8206	6.1699	5.5158	4.6379	3.5973
C29	4.5371	5.4312	5.2309	4.1388	3.5973	2.3645	1.4614	2.4825	3.7158	4.5371	5.5158	5.8206	6.5416	6.6967	6.1699	6.1699	6.6967	7.0024	7.1420	6.9909	6.6967	6.0993	5.8206	4.8627	4.1388	2.8664	2.4825	1.4050		1.4614	2.4825	2.8664	2.4825	3.5973	3.5973	4.6379	5.5158	6.1699	6.7392	6.7392	6.9909	6.6967	6.5416	5.8206	5.5158	6.0993	5.8206	6.1699	5.5158	4.6379	4.8627	4.1388	4.5371	3.7158	4.1388	5.2309	5.4312	4.5371	3.5973	2.3645
C30	4.1388	5.2309	5.4312	4.5371	3.5973	2.3645	2.3645	3.5973	4.5371	5.4312	6.1699	6.1699	6.6967	6.5416	5.8206	5.5158	6.0993	6.6967	6.9909	7.1420	7.0024	6.6967	6.5416	5.8206	5.2309	4.1388	3.7158	2.4825	1.4614		1.4050	2.4825	2.8664	4.1388	4.5371	5.5158	6.0993	6.6967	6.9909	6.7392	6.7392	6.1699	5.8206	4.8627	4.6379	5.5158	5.5158	6.1699	5.8206	4.8627	4.6379	3.5973	3.5973	2.4825	2.8664	4.1388	4.5371	3.7158	2.4825	1.4614
C31	4.8627	5.8206	6.1699	5.5158	4.6379	3.5973	3.5973	4.6379	5.5158	6.1699	6.7392	6.7392	6.9909	6.6967	6.0993	5.5158	5.8206	6.5416	6.6967	7.0024	7.1420	6.9909	6.6967	6.0993	5.8206	4.8627	4.1388	2.8664	2.4825	1.4050		1.4614	2.4825	3.7158	4.5371	5.5158	5.8206	6.5416	6.6967	6.1699	6.1699	5.4312	5.2309	4.1388	3.5973	4.5371	4.5371	5.4312	5.2309	4.1388	3.5973	2.3645	2.3645	1.4614	2.4825	3.7158	4.5371	4.1388	2.8664	2.4825
C32	5.8206	6.5416	6.6967	6.0993	5.5158	4.5371	4.1388	4.8627	5.8206	6.1699	6.7392	6.9909	7.1420	7.0024	6.6967	6.1699	6.1699	6.6967	6.5416	6.6967	6.9909	6.7392	6.1699	5.5158	5.5158	4.6379	3.5973	2.4825	2.8664	2.4825	1.4614		1.4050	2.4825	3.5973	4.6379	4.8627	5.8206	6.0993	5.5158	5.8206	5.2309	5.4312	4.5371	3.5973	4.1388	3.7158	4.5371	4.1388	2.8664	2.4825	1.4614	2.3645	2.3645	3.5973	4.5371	5.4312	5.2309	4.1388	3.7158
C33	6.0993	6.6967	6.5416	5.8206	5.5158	4.5371	3.7158	4.1388	5.2309	5.4312	6.1699	6.6967	7.0024	7.1420	6.9909	6.7392	6.7392	6.9909	6.6967	6.5416	6.6967	6.1699	5.4312	4.5371	4.5371	3.5973	2.3645	1.4614	2.4825	2.8664	2.4825	1.4050		1.4614	2.3645	3.5973	4.1388	5.2309	5.8206	5.5158	6.0993	5.8206	6.1699	5.5158	4.6379	4.8627	4.1388	4.5371	3.7158	2.4825	2.8664	2.4825	3.5973	3.5973	4.6379	5.5158	6.1699	5.8206	4.8627	4.1388
C34	6.6967	7.0024	6.6967	6.1699	6.1699	5.4312	4.5371	4.5371	5.4312	5.2309	5.8206	6.5416	6.6967	6.9909	7.1420	6.9909	6.7392	6.7392	6.1699	5.8206	6.0993	5.5158	4.5371	3.7158	4.1388	3.5973	2.3645	2.3645	3.5973	4.1388	3.7158	2.4825	1.4614		1.4614	2.4825	2.8664	4.1388	4.8627	4.6379	5.5158	5.5158	6.1699	5.8206	4.8627	4.6379	3.5973	3.5973	2.4825	1.4050	2.4825	2.8664	4.1388	4.5371	5.5158	6.0993	6.6967	6.5416	5.8206	5.2309
C35	6.5416	6.6967	6.0993	5.5158	5.8206	5.2309	4.1388	3.7158	4.5371	4.1388	4.8627	5.8206	6.1699	6.7392	6.9909	7.1420	6.9909	6.7392	6.1699	5.5158	5.5158	4.6379	3.5973	2.4825	2.8664	2.4825	1.4614	2.3645	3.5973	4.5371	4.5371	3.5973	2.3645	1.4614		1.4050	2.4825	3.5973	4.6379	4.8627	5.8206	6.0993	6.6967	6.5416	5.8206	5.5158	4.5371	4.1388	2.8664	2.4825	3.7158	4.1388	5.2309	5.4312	6.1699	6.6967	7.0024	6.6967	6.1699	5.4312
C36	6.6967	6.5416	5.8206	5.5158	6.0993	5.8206	4.8627	4.1388	4.5371	3.7158	4.1388	5.2309	5.4312	6.1699	6.6967	7.0024	6.6967	6.1699	5.4312	4.5371	4.5371	3.5973	2.3645	1.4614	2.4825	2.8664	2.4825	3.5973	4.6379	5.5158	5.5158	4.6379	3.5973	2.4825	1.4050		1.4614	2.3645	3.5973	4.1388	5.2309	5.8206	6.5416	6.6967	6.0993	5.5158	4.5371	3.7158	2.4825	2.8664	4.1388	4.8627	5.8206	6.1699	6.7392	6.9909	7.1420	6.9909	6.7392	6.1699
C37	7.0024	6.6967	6.1699	6.1699	6.6967	6.5416	5.8206	5.2309	5.4312	4.5371	4.5371	5.4312	5.2309	5.8206	6.5416	6.6967	6.0993	5.5158	4.5371	3.7158	4.1388	3.5973	2.3645	2.3645	3.5973	4.1388	3.7158	4.5371	5.5158	6.0993	5.8206	4.8627	4.1388	2.8664	2.4825	1.4614		1.4614	2.4825	2.8664	4.1388	4.8627	5.8206	6.1699	5.5158	4.6379	3.5973	2.4825	1.4050	2.4825	3.5973	4.6379	5.5158	6.1699	6.7392	6.7392	6.9909	7.1420	6.9909	6.6967
C38	6.6967	6.0993	5.5158	5.8206	6.5416	6.6967	6.1699	5.4312	5.2309	4.1388	3.7158	4.5371	4.1388	4.8627	5.8206	6.1699	5.5158	4.6379	3.5973	2.4825	2.8664	2.4825	1.4614	2.3645	3.5973	4.5371	4.5371	5.4312	6.1699	6.6967	6.5416	5.8206	5.2309	4.1388	3.5973	2.3645	1.4614		1.4050	2.4825	3.5973	4.6379	5.5158	6.1699	5.8206	4.8627	4.1388	2.8664	2.4825	3.7158	4.5371	5.5158	6.0993	6.6967	6.9909	6.7392	6.7392	6.9909	7.1420	7.0024
C39	6.5416	5.8206	5.5158	6.0993	6.6967	6.9909	6.7392	6.1699	5.8206	4.8627	4.1388	4.5371	3.7158	4.1388	5.2309	5.4312	4.5371	3.5973	2.3645	1.4614	2.4825	2.8664	2.4825	3.5973	4.6379	5.5158	5.5158	6.1699	6.7392	6.9909	6.6967	6.0993	5.8206	4.8627	4.6379	3.5973	2.4825	1.4050		1.4614	2.3645	3.5973	4.5371	5.4312	5.2309	4.1388	3.7158	2.4825	2.8664	4.1388	4.5371	5.5158	5.8206	6.5416	6.6967	6.1699	6.1699	6.6967	7.0024	7.1420
C40	6.6967	6.1699	6.1699	6.6967	7.0024	7.1420	6.9909	6.6967	6.5416	5.8206	5.2309	5.4312	4.5371	4.5371	5.4312	5.2309	4.1388	3.5973	2.3645	2.3645	3.5973	4.1388	3.7158	4.5371	5.5158	6.0993	5.8206	6.1699	6.7392	6.7392	6.1699	5.5158	5.5158	4.6379	4.8627	4.1388	2.8664	2.4825	1.4614		1.4614	2.4825	3.7158	4.5371	4.1388	2.8664	2.4825	1.4050	2.4825	3.5973	3.5973	4.6379	4.8627	5.8206	6.0993	5.5158	5.8206	6.5416	6.6967	6.9909
C41	6.0993	5.5158	5.8206	6.5416	6.6967	6.9909	7.1420	7.0024	6.6967	6.1699	5.4312	5.2309	4.1388	3.7158	4.5371	4.1388	2.8664	2.4825	1.4614	2.3645	3.5973	4.5371	4.5371	5.4312	6.1699	6.6967	6.5416	6.6967	6.9909	6.7392	6.1699	5.8206	6.0993	5.5158	5.8206	5.2309	4.1388	3.5973	2.3645	1.4614		1.4050	2.4825	3.5973	3.5973	2.4825	2.8664	2.4825	3.7158	4.5371	4.1388	4.8627	4.6379	5.5158	5.5158	4.6379	4.8627	5.8206	6.1699	6.7392
C42	5.8206	5.5158	6.0993	6.6967	6.5416	6.6967	7.0024	7.1420	6.9909	6.7392	6.1699	5.8206	4.8627	4.1388	4.5371	3.7158	2.4825	2.8664	2.4825	3.5973	4.6379	5.5158	5.5158	6.1699	6.7392	6.9909	6.6967	6.5416	6.6967	6.1699	5.4312	5.2309	5.8206	5.5158	6.0993	5.8206	4.8627	4.6379	3.5973	2.4825	1.4050		1.4614	2.3645	2.3645	1.4614	2.4825	2.8664	4.1388	4.5371	3.7158	4.1388	3.5973	4.5371	4.5371	3.5973	4.1388	5.2309	5.4312	6.1699
C43	4.8627	4.6379	5.5158	6.1699	5.8206	6.0993	6.6967	6.9909	6.7392	6.7392	6.1699	5.5158	4.6379	3.5973	3.5973	2.4825	1.4050	2.4825	2.8664	4.1388	4.8627	5.8206	6.0993	6.6967	6.9909	7.1420	7.0024	6.6967	6.5416	5.8206	5.2309	5.4312	6.1699	6.1699	6.6967	6.5416	5.8206	5.5158	4.5371	3.7158	2.4825	1.4614		1.4614	2.3645	2.3645	3.5973	4.1388	5.2309	5.4312	4.5371	4.5371	3.5973	4.1388	3.7158	2.4825	2.8664	4.1388	4.5371	5.5158
C44	4.6379	4.8627	5.8206	6.1699	5.5158	5.5158	6.1699	6.7392	6.7392	6.9909	6.6967	6.0993	5.5158	4.5371	4.1388	2.8664	2.4825	3.7158	4.1388	5.2309	5.8206	6.5416	6.6967	7.0024	7.1420	6.9909	6.6967	6.0993	5.8206	4.8627	4.1388	4.5371	5.5158	5.8206	6.5416	6.6967	6.1699	6.1699	5.4312	4.5371	3.5973	2.3645	1.4614		1.4614	2.3645	3.5973	4.5371	5.4312	5.2309	4.1388	3.7158	2.4825	2.8664	2.4825	1.4050	2.4825	3.5973	3.5973	4.6379
C45	5.5158	5.8206	6.5416	6.6967	6.0993	5.8206	6.1699	6.7392	6.9909	7.1420	7.0024	6.6967	6.1699	5.4312	5.2309	4.1388	3.5973	4.5371	4.5371	5.4312	6.1699	6.6967	6.5416	6.6967	6.9909	6.7392	6.1699	5.5158	5.5158	4.6379	3.5973	3.5973	4.6379	4.8627	5.8206	6.0993	5.5158	5.8206	5.2309	4.1388	3.5973	2.3645	2.3645	1.4614		1.4614	2.4825	3.7158	4.5371	4.1388	2.8664	2.4825	1.4050	2.4825	2.8664	2.4825	3.7158	4.5371	4.1388	4.8627
C46	6.1699	6.1699	6.6967	7.0024	6.6967	6.5416	6.6967	6.9909	7.1420	6.9909	6.6967	6.5416	5.8206	5.2309	5.4312	4.5371	3.5973	4.1388	3.7158	4.5371	5.5158	6.0993	5.8206	6.1699	6.7392	6.7392	6.1699	5.8206	6.0993	5.5158	4.5371	4.1388	4.8627	4.6379	5.5158	5.5158	4.6379	4.8627	4.1388	2.8664	2.4825	1.4614	2.3645	2.3645	1.4614		1.4050	2.4825	3.5973	3.5973	2.4825	2.8664	2.4825	3.7158	4.1388	3.5973	4.5371	5.4312	5.2309	5.8206
C47	6.7392	6.7392	6.9909	7.1420	6.9909	6.6967	6.5416	6.6967	7.0024	6.6967	6.5416	6.6967	6.0993	5.8206	6.1699	5.5158	4.6379	4.8627	4.1388	4.5371	5.5158	5.8206	5.2309	5.4312	6.1699	6.1699	5.4312	5.2309	5.8206	5.5158	4.5371	3.7158	4.1388	3.5973	4.5371	4.5371	3.5973	4.1388	3.7158	2.4825	2.8664	2.4825	3.5973	3.5973	2.4825	1.4050		1.4614	2.3645	2.3645	1.4614	2.4825	2.8664	4.1388	4.8627	4.6379	5.5158	6.1699	5.8206	6.0993
C48	6.9909	6.7392	6.7392	6.9909	7.1420	7.0024	6.6967	6.5416	6.6967	6.0993	5.8206	6.1699	5.5158	5.5158	6.1699	5.8206	4.8627	4.6379	3.5973	3.5973	4.6379	4.8627	4.1388	4.5371	5.5158	5.8206	5.2309	5.4312	6.1699	6.1699	5.4312	4.5371	4.5371	3.5973	4.1388	3.7158	2.4825	2.8664	2.4825	1.4050	2.4825	2.8664	4.1388	4.5371	3.7158	2.4825	1.4614		1.4614	2.3645	2.3645	3.5973	4.1388	5.2309	5.8206	5.5158	6.0993	6.6967	6.5416	6.6967
C49	7.1420	6.9909	6.7392	6.7392	6.9909	6.6967	6.0993	5.8206	6.1699	5.5158	5.5158	6.1699	5.8206	6.0993	6.6967	6.5416	5.8206	5.5158	4.5371	4.1388	4.8627	4.6379	3.5973	3.5973	4.6379	4.8627	4.1388	4.5371	5.5158	5.8206	5.2309	4.1388	3.7158	2.4825	2.8664	2.4825	1.4050	2.4825	2.8664	2.4825	3.7158	4.1388	5.2309	5.4312	4.5371	3.5973	2.3645	1.4614		1.4614	2.3645	3.5973	4.5371	5.4312	6.1699	6.1699	6.6967	7.0024	6.6967	6.5416
C50	6.9909	7.1420	6.9909	6.7392	6.7392	6.1699	5.5158	5.5158	6.1699	5.8206	6.0993	6.6967	6.5416	6.6967	7.0024	6.6967	6.1699	6.1699	5.4312	5.2309	5.8206	5.5158	4.5371	4.1388	4.8627	4.6379	3.5973	3.5973	4.6379	4.8627	4.1388	2.8664	2.4825	1.4050	2.4825	2.8664	2.4825	3.7158	4.1388	3.5973	4.5371	4.5371	5.4312	5.2309	4.1388	3.5973	2.3645	2.3645	1.4614		1.4614	2.4825	3.7158	4.5371	5.5158	5.8206	6.5416	6.6967	6.0993	5.8206
C51	6.7392	6.9909	7.1420	6.9909	6.7392	6.1699	5.8206	6.0993	6.6967	6.5416	6.6967	7.0024	6.6967	6.5416	6.6967	6.0993	5.5158	5.8206	5.2309	5.4312	6.1699	6.1699	5.4312	5.2309	5.8206	5.5158	4.5371	4.1388	4.8627	4.6379	3.5973	2.4825	2.8664	2.4825	3.7158	4.1388	3.5973	4.5371	4.5371	3.5973	4.1388	3.7158	4.5371	4.1388	2.8664	2.4825	1.4614	2.3645	2.3645	1.4614		1.4050	2.4825	3.5973	4.6379	4.8627	5.8206	6.1699	5.5158	5.5158
C52	6.1699	6.6967	7.0024	6.6967	6.1699	5.4312	5.2309	5.8206	6.5416	6.6967	6.9909	7.1420	6.9909	6.6967	6.5416	5.8206	5.5158	6.0993	5.8206	6.1699	6.7392	6.7392	6.1699	5.8206	6.0993	5.5158	4.5371	3.7158	4.1388	3.5973	2.3645	1.4614	2.4825	2.8664	4.1388	4.8627	4.6379	5.5158	5.5158	4.6379	4.8627	4.1388	4.5371	3.7158	2.4825	2.8664	2.4825	3.5973	3.5973	2.4825	1.4050		1.4614	2.3645	3.5973	4.1388	5.2309	5.4312	4.5371	4.5371
C53	5.5158	6.0993	6.6967	6.5416	5.8206	5.2309	5.4312	6.1699	6.6967	7.0024	7.1420	6.9909	6.7392	6.1699	5.8206	4.8627	4.6379	5.5158	5.5158	6.1699	6.7392	6.9909	6.6967	6.5416	6.6967	6.1699	5.4312	4.5371	4.5371	3.5973	2.3645	2.3645	3.5973	4.1388	5.2309	5.8206	5.5158	6.0993	5.8206	4.8627	4.6379	3.5973	3.5973	2.4825	1.4050	2.4825	2.8664	4.1388	4.5371	3.7158	2.4825	1.4614		1.4614	2.4825	2.8664	4.1388	4.5371	3.7158	4.1388
C54	4.6379	5.5158	6.1699	5.8206	4.8627	4.1388	4.5371	5.5158	6.0993	6.6967	6.9909	6.7392	6.7392	6.1699	5.5158	4.6379	4.8627	5.8206	6.0993	6.6967	6.9909	7.1420	7.0024	6.6967	6.5416	5.8206	5.2309	4.1388	3.7158	2.4825	1.4614	2.3645	3.5973	4.5371	5.4312	6.1699	6.1699	6.6967	6.5416	5.8206	5.5158	4.5371	4.1388	2.8664	2.4825	3.7158	4.1388	5.2309	5.4312	4.5371	3.5973	2.3645	1.4614		1.4050	2.4825	3.5973	3.5973	2.4825	2.8664
C55	3.5973	4.5371	5.4312	5.2309	4.1388	3.7158	4.5371	5.5158	5.8206	6.5416	6.6967	6.1699	6.1699	5.4312	4.5371	3.5973	4.1388	5.2309	5.8206	6.5416	6.6967	7.0024	7.1420	6.9909	6.6967	6.0993	5.8206	4.8627	4.1388	2.8664	2.4825	3.5973	4.6379	5.5158	6.1699	6.7392	6.7392	6.9909	6.6967	6.0993	5.5158	4.5371	3.7158	2.4825	2.8664	4.1388	4.8627	5.8206	6.1699	5.5158	4.6379	3.5973	2.4825	1.4050		1.4614	2.3645	2.3645	1.4614	2.4825
C56	3.5973	4.1388	5.2309	5.4312	4.5371	4.5371	5.4312	6.1699	6.1699	6.6967	6.5416	5.8206	5.5158	4.5371	3.7158	2.4825	2.8664	4.1388	4.8627	5.8206	6.0993	6.6967	6.9909	7.1420	7.0024	6.6967	6.5416	5.8206	5.2309	4.1388	3.7158	4.5371	5.5158	6.0993	6.6967	6.9909	6.7392	6.7392	6.1699	5.5158	4.6379	3.5973	2.4825	1.4050	2.4825	3.5973	4.6379	5.5158	6.1699	5.8206	4.8627	4.1388	2.8664	2.4825	1.4614		1.4614	2.3645	2.3645	3.5973
C57	2.4825	2.8664	4.1388	4.5371	3.7158	4.1388	5.2309	5.8206	5.5158	6.0993	5.8206	4.8627	4.6379	3.5973	2.4825	1.4050	2.4825	3.5973	4.6379	5.5158	5.5158	6.1699	6.7392	6.9909	6.6967	6.5416	6.6967	6.1699	5.4312	4.5371	4.5371	5.4312	6.1699	6.6967	7.0024	7.1420	6.9909	6.7392	6.1699	5.8206	4.8627	4.1388	2.8664	2.4825	3.7158	4.5371	5.5158	6.0993	6.6967	6.5416	5.8206	5.2309	4.1388	3.5973	2.3645	1.4614		1.4614	2.3645	3.5973
C58	1.4050	2.4825	3.5973	3.5973	2.4825	2.8664	4.1388	4.8627	4.6379	5.5158	5.5158	4.6379	4.8627	4.1388	2.8664	2.4825	3.7158	4.5371	5.5158	6.0993	5.8206	6.1699	6.7392	6.7392	6.1699	5.8206	6.0993	5.5158	4.5371	3.7158	4.1388	5.2309	5.8206	6.5416	6.6967	6.9909	7.1420	6.9909	6.6967	6.5416	5.8206	5.2309	4.1388	3.5973	4.5371	5.4312	6.1699	6.6967	7.0024	6.6967	6.1699	5.4312	4.5371	3.5973	2.3645	2.3645	1.4614		1.4614	2.4825
C59	2.4825	3.7158	4.5371	4.1388	2.8664	2.4825	3.5973	4.6379	4.8627	5.8206	6.0993	5.5158	5.8206	5.2309	4.1388	3.5973	4.5371	5.4312	6.1699	6.6967	6.5416	6.6967	6.9909	6.7392	6.1699	5.5158	5.5158	4.6379	3.5973	2.4825	2.8664	4.1388	4.8627	5.8206	6.1699	6.7392	6.9909	7.1420	7.0024	6.6967	6.1699	5.4312	4.5371	3.5973	4.1388	5.2309	5.8206	6.5416	6.6967	6.0993	5.5158	4.5371	3.7158	2.4825	1.4614	2.3645	2.3645	1.4614		1.4050
C60	2.8664	4.1388	4.5371	3.7158	2.4825	1.4614	2.3645	3.5973	4.1388	5.2309	5.8206	5.5158	6.0993	5.8206	4.8627	4.6379	5.5158	6.1699	6.7392	6.9909	6.6967	6.5416	6.6967	6.1699	5.4312	4.5371	4.5371	3.5973	2.3645	1.4614	2.4825	3.7158	4.1388	5.2309	5.4312	6.1699	6.6967	7.0024	7.1420	6.9909	6.7392	6.1699	5.5158	4.6379	4.8627	5.8206	6.0993	6.6967	6.5416	5.8206	5.5158	4.5371	4.1388	2.8664	2.4825	3.5973	3.5973	2.4825	1.4050

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	C3	108.000		C1	C2	C15	120.000
C1	C5	C4	108.000		C1	C5	C6	120.000
C1	C58	C57	120.000		C1	C58	C59	120.000
C2	C1	C5	108.000		C2	C1	C58	120.000
C2	C3	C4	108.000		C2	C3	C12	120.000
C2	C15	C14	120.000		C2	C15	C16	120.000
C3	C2	C15	120.000		C3	C4	C5	108.000
C3	C4	C9	120.000		C3	C12	C11	120.000
C3	C12	C13	120.000		C4	C3	C12	120.000
C4	C5	C6	120.000		C4	C9	C8	120.000
C4	C9	C10	120.000		C5	C1	C58	120.000
C5	C4	C9	120.000		C5	C6	C7	120.000
C5	C6	C60	120.000		C6	C7	C8	120.000
C6	C7	C29	108.000		C6	C60	C30	108.000
C6	C60	C59	120.000		C7	C6	C60	108.000
C7	C8	C9	120.000		C7	C8	C26	120.000
C7	C29	C28	120.000		C7	C29	C30	108.000
C8	C7	C29	120.000		C8	C9	C10	108.000
C8	C26	C25	108.000		C8	C26	C27	120.000
C9	C8	C26	108.000		C9	C10	C11	120.000
C9	C10	C25	108.000		C10	C11	C12	120.000
C10	C11	C22	120.000		C10	C25	C24	120.000
C10	C25	C26	108.000		C11	C10	C25	120.000
C11	C12	C13	108.000		C11	C22	C21	108.000
C11	C22	C23	120.000		C12	C11	C22	108.000
C12	C13	C14	120.000		C12	C13	C21	108.000
C13	C14	C15	120.000		C13	C14	C18	120.000
C13	C21	C20	120.000		C13	C21	C22	108.000
C14	C13	C21	120.000		C14	C15	C16	108.000
C14	C18	C17	108.000		C14	C18	C19	120.000
C15	C14	C18	108.000		C15	C16	C17	108.000
C15	C16	C57	120.000		C16	C17	C18	108.000
C16	C17	C43	120.000		C16	C57	C56	120.000
C16	C57	C58	120.000		C17	C16	C57	120.000
C17	C18	C19	120.000		C17	C43	C42	120.000
C17	C43	C44	120.000		C18	C17	C43	120.000
C18	C19	C20	120.000		C18	C19	C41	120.000
C19	C20	C21	120.000		C19	C20	C39	108.000
C19	C41	C40	108.000		C19	C41	C42	120.000
C20	C19	C41	108.000		C20	C21	C22	120.000
C20	C39	C38	120.000		C20	C39	C40	108.000
C21	C20	C39	120.000		C21	C22	C23	120.000
C22	C23	C24	120.000		C22	C23	C38	120.000
C23	C24	C25	120.000		C23	C24	C36	108.000
C23	C38	C37	108.000		C23	C38	C39	120.000
C24	C23	C38	108.000		C24	C25	C26	120.000
C24	C36	C35	120.000		C24	C36	C37	108.000
C25	C24	C36	120.000		C25	C26	C27	120.000
C26	C27	C28	120.000		C26	C27	C35	120.000
C27	C28	C29	120.000		C27	C28	C33	108.000
C27	C35	C34	108.000		C27	C35	C36	120.000
C28	C27	C35	108.000		C28	C29	C30	120.000
C28	C33	C32	120.000		C28	C33	C34	108.000
C29	C28	C33	120.000		C29	C30	C31	120.000
C29	C30	C60	108.000		C30	C31	C32	120.000
C30	C31	C54	120.000		C30	C60	C59	120.000
C31	C30	C60	120.000		C31	C32	C33	120.000
C31	C32	C52	108.000		C31	C54	C53	108.000
C31	C54	C55	120.000		C32	C31	C54	108.000
C32	C33	C34	120.000		C32	C52	C51	120.000
C32	C52	C53	108.000		C33	C32	C52	120.000
C33	C34	C35	108.000		C33	C34	C50	120.000
C34	C35	C36	120.000		C34	C50	C49	120.000
C34	C50	C51	120.000		C35	C34	C50	120.000
C35	C36	C37	120.000		C36	C37	C38	108.000
C36	C37	C49	120.000		C37	C38	C39	120.000
C37	C49	C48	120.000		C37	C49	C50	120.000
C38	C37	C49	120.000		C38	C39	C40	120.000
C39	C40	C41	108.000		C39	C40	C48	120.000
C40	C41	C42	120.000		C40	C48	C47	120.000
C40	C48	C49	120.000		C41	C40	C48	120.000
C41	C42	C43	120.000		C41	C42	C46	120.000
C42	C43	C44	108.000		C42	C46	C45	108.000
C42	C46	C47	120.000		C43	C42	C46	108.000
C43	C44	C45	108.000		C43	C44	C56	120.000
C44	C45	C46	108.000		C44	C45	C53	120.000
C44	C56	C55	120.000		C44	C56	C57	120.000
C45	C44	C56	120.000		C45	C46	C47	120.000
C45	C53	C52	120.000		C45	C53	C54	120.000
C46	C45	C53	120.000		C46	C47	C48	120.000
C46	C47	C51	120.000		C47	C48	C49	108.000
C47	C51	C50	108.000		C47	C51	C52	120.000
C48	C47	C51	108.000		C48	C49	C50	108.000
C49	C50	C51	108.000		C50	C51	C52	120.000
C51	C52	C53	120.000		C52	C53	C54	108.000
C53	C54	C55	120.000		C54	C55	C56	120.000
C54	C55	C59	120.000		C55	C56	C57	108.000
C55	C59	C58	108.000		C55	C59	C60	120.000
C56	C55	C59	108.000		C56	C57	C58	108.000
C57	C58	C59	108.000		C58	C59	C60	120.000

Electronic energy levels

Charges, Dipole, Quadrupole and Polarizability
Charges from optimized geometry at BLYP/6-311G* 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 -335.086 0.000 0.000 y 0.000 -335.086 0.000 z 0.000 0.000 -335.086

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	76.068	0.000	0.000
y	0.000	76.068	0.000
z	0.000	0.000	76.068

<r²> (average value of r²) Ų

<r2>	4800.043
(<r2>)1/2	69.282