All results from a given calculation for C₆₀ (Buckminsterfullerene)

Energy calculated at B1B95/cc-pVDZ

	hartrees
Energy at 0K	-2285.678202
Energy at 298.15K	-2285.677403
HF Energy	-2285.678202
Nuclear repulsion energy	8371.651261

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 B1B95/cc-pVDZ

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	1567	1507	0.00
2	Ag	509	489	0.00
3	Au	965	928	0.00
4	T1g	1342	1290	0.00
4	T1g	1342	1290	0.00
4	T1g	1342	1290	0.00
5	T1g	844	811	0.00
5	T1g	844	811	0.00
5	T1g	844	811	0.00
6	T1g	573	551	0.00
6	T1g	573	551	0.00
6	T1g	573	551	0.00
7	T1u	1523	1464	14.35
7	T1u	1523	1464	14.35
7	T1u	1523	1464	14.35
8	T1u	1259	1210	9.57
8	T1u	1259	1210	9.58
8	T1u	1259	1210	9.57
9	T1u	605	581	12.60
9	T1u	605	581	12.60
9	T1u	605	581	12.60
10	T1u	538	517	29.50
10	T1u	538	517	29.50
10	T1u	538	517	29.50
11	T2g	1424	1369	0.00
11	T2g	1424	1369	0.00
11	T2g	1424	1369	0.00
12	T2g	812	781	0.00
12	T2g	812	781	0.00
12	T2g	812	781	0.00
13	T2g	731	703	0.00
13	T2g	731	703	0.00
13	T2g	731	703	0.00
14	T2g	564	542	0.00
14	T2g	564	542	0.00
14	T2g	564	542	0.00
15	T2u	1613	1551	0.00
15	T2u	1613	1551	0.00
15	T2u	1613	1551	0.00
16	T2u	1249	1200	0.00
16	T2u	1249	1200	0.00
16	T2u	1249	1200	0.00
17	T2u	1009	970	0.00
17	T2u	1009	970	0.00
17	T2u	1009	970	0.00
18	T2u	723	695	0.00
18	T2u	723	695	0.00
81	T2u	723	695	0.00
19	T2u	346	333	0.00
19	T2u	346	333	0.00
19	T2u	346	333	0.00
20	Gg	1589	1527	0.00
20	Gg	1589	1527	0.00
20	Gg	1589	1527	0.00
20	Gg	1589	1527	0.00
21	Gg	1368	1315	0.00
21	Gg	1368	1315	0.00
21	Gg	1368	1315	0.00
21	Gg	1368	1315	0.00
22	Gg	1135	1091	0.00
22	Gg	1135	1091	0.00
22	Gg	1135	1091	0.00
22	Gg	1135	1091	0.00
23	Gg	758	728	0.00
23	Gg	758	728	0.00
23	Gg	758	728	0.00
23	Gg	758	728	0.00
24	Gg	582	559	0.00
24	Gg	582	559	0.00
24	Gg	582	559	0.00
24	Gg	582	559	0.00
25	Gg	494	474	0.00
25	Gg	494	474	0.00
25	Gg	494	474	0.00
25	Gg	494	474	0.00
26	Gu	1522	1463	0.00
26	Gu	1522	1463	0.00
26	Gu	1522	1463	0.00
26	Gu	1522	1463	0.00
27	Gu	1388	1334	0.00
27	Gu	1388	1334	0.00
27	Gu	1388	1334	0.00
27	Gu	1388	1334	0.00
28	Gu	1007	968	0.00
28	Gu	1007	968	0.00
28	Gu	1007	968	0.00
28	Gu	1007	968	0.00
29	Gu	772	742	0.00
29	Gu	772	742	0.00
29	Gu	772	742	0.00
29	Gu	772	742	0.00
30	Gu	750	721	0.00
30	Gu	750	721	0.00
30	Gu	750	721	0.00
30	Gu	750	721	0.00
31	Gu	358	344	0.00
31	Gu	358	344	0.00
31	Gu	358	344	0.00
31	Gu	358	344	0.00
32	Hg	1665	1601	0.00
32	Hg	1665	1601	0.00
32	Hg	1665	1601	0.00
32	Hg	1665	1601	0.00
32	Hg	1665	1601	0.00
33	Hg	1515	1456	0.00
33	Hg	1515	1456	0.00
33	Hg	1515	1456	0.00
33	Hg	1515	1456	0.00
33	Hg	1515	1456	0.00
34	Hg	1335	1283	0.00
34	Hg	1335	1283	0.00
34	Hg	1335	1283	0.00
34	Hg	1335	1283	0.00
34	Hg	1335	1283	0.00
35	Hg	1158	1113	0.00
35	Hg	1158	1113	0.00
35	Hg	1158	1113	0.00
35	Hg	1158	1113	0.00
35	Hg	1158	1113	0.00
36	Hg	808	776	0.00
36	Hg	808	776	0.00
36	Hg	808	776	0.00
36	Hg	808	776	0.00
36	Hg	808	776	0.00
37	Hg	719	692	0.00
37	Hg	719	692	0.00
37	Hg	719	692	0.00
37	Hg	719	692	0.00
37	Hg	719	692	0.00
38	Hg	438	421	0.00
38	Hg	438	421	0.00
38	Hg	438	421	0.00
38	Hg	438	421	0.00
38	Hg	438	421	0.00
39	Hg	267	257	0.00
39	Hg	267	257	0.00
39	Hg	267	257	0.00
39	Hg	267	257	0.00
39	Hg	267	257	0.00
40	Hu	1657	1593	0.00
40	Hu	1657	1593	0.00
40	Hu	1657	1593	0.00
40	Hu	1657	1593	0.00
40	Hu	1657	1593	0.00
41	Hu	1416	1362	0.00
41	Hu	1416	1362	0.00
41	Hu	1416	1362	0.00
41	Hu	1416	1362	0.00
41	Hu	1416	1362	0.00
42	Hu	1282	1232	0.00
42	Hu	1282	1232	0.00
42	Hu	1282	1232	0.00
42	Hu	1282	1232	0.00
42	Hu	1282	1232	0.00
43	Hu	746	717	0.00
43	Hu	746	717	0.00
43	Hu	746	717	0.00
43	Hu	746	717	0.00
43	Hu	746	717	0.00
44	Hu	678	652	0.00
44	Hu	678	652	0.00
44	Hu	678	652	0.00
44	Hu	678	652	0.00
44	Hu	678	652	0.00
45	Hu	545	524	0.00
45	Hu	545	524	0.00
45	Hu	545	524	0.00
45	Hu	545	524	0.00
45	Hu	545	524	0.00
46	Hu	413	397	0.00
46	Hu	413	397	0.00
46	Hu	413	397	0.00
46	Hu	413	397	0.00
46	Hu	413	397	0.00

Unscaled Zero Point Vibrational Energy (zpe) 84300.9 cm^-1
Scaled (by 0.9612) Zero Point Vibrational Energy (zpe) 81030.0 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 B1B95/cc-pVDZ

A	B	C
0.00282	0.00282	0.00282

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

Geometric Data calculated at B1B95/cc-pVDZ

Point Group is I_h

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.229	3.310
C2	-1.169	0.380	3.310
C3	-0.722	-0.994	3.310
C4	0.722	-0.994	3.310
C5	1.169	0.380	3.310
C6	2.293	0.745	2.580
C7	3.015	-0.249	1.820
C8	2.586	-1.571	1.820
C9	1.417	-1.951	2.580
C10	0.695	-2.945	1.820
C11	-0.695	-2.945	1.820
C12	-1.417	-1.951	2.580
C13	-2.586	-1.571	1.820
C14	-3.015	-0.249	1.820
C15	-2.293	0.745	2.580
C16	-2.293	1.974	1.820
C17	-3.015	1.739	0.591
C18	-3.462	0.365	0.591
C19	-3.462	-0.365	-0.591
C20	-3.015	-1.739	-0.591
C21	-2.586	-2.330	0.591
C22	-1.417	-3.180	0.591
C23	-0.722	-3.405	-0.591
C24	0.722	-3.405	-0.591
C25	1.417	-3.180	0.591
C26	2.586	-2.330	0.591
C27	3.015	-1.739	-0.591
C28	3.462	-0.365	-0.591
C29	3.462	0.365	0.591
C30	3.015	1.739	0.591
C31	2.586	2.330	-0.591
C32	2.586	1.571	-1.820
C33	3.015	0.249	-1.820
C34	2.293	-0.745	-2.580
C35	2.293	-1.974	-1.820
C36	1.169	-2.791	-1.820
C37	0.000	-2.411	-2.580
C38	-1.169	-2.791	-1.820
C39	-2.293	-1.974	-1.820
C40	-2.293	-0.745	-2.580
C41	-3.015	0.249	-1.820
C42	-2.586	1.571	-1.820
C43	-2.586	2.330	-0.591
C44	-1.417	3.180	-0.591
C45	-0.695	2.945	-1.820
C46	-1.417	1.951	-2.580
C47	-0.722	0.994	-3.310
C48	-1.169	-0.380	-3.310
C49	0.000	-1.229	-3.310
C50	1.169	-0.380	-3.310
C51	0.722	0.994	-3.310
C52	1.417	1.951	-2.580
C53	0.695	2.945	-1.820
C54	1.417	3.180	-0.591
C55	0.722	3.405	0.591
C56	-0.722	3.405	0.591
C57	-1.169	2.791	1.820
C58	0.000	2.411	2.580
C59	1.169	2.791	1.820
C60	2.293	1.974	1.820

Atom - Atom Distances (Å)

	C1	C2	C3	C4	C5	C6	C7	C8	C9	C10	C11	C12	C13	C14	C15	C16	C17	C18	C19	C20	C21	C22	C23	C24	C25	C26	C27	C28	C29	C30	C31	C32	C33	C34	C35	C36	C37	C38	C39	C40	C41	C42	C43	C44	C45	C46	C47	C48	C49	C50	C51	C52	C53	C54	C55	C56	C57	C58	C59	C60
C1		1.4447	2.3376	2.3376	1.4447	2.4549	3.6740	4.0923	3.5570	4.4860	4.4860	3.5570	4.0923	3.6740	2.4549	2.8344	4.0923	4.4860	5.4540	5.7553	5.1720	5.3700	6.1007	6.1007	5.3700	5.1720	5.7553	5.4540	4.4860	4.0923	4.8084	5.7553	6.0309	6.6215	6.4681	6.6215	6.9238	6.6215	6.4681	6.6215	6.0309	5.7553	4.8084	4.5862	5.4540	6.1007	6.6638	6.9125	7.0619	6.9125	6.6638	6.1007	5.4540	4.5862	3.5570	3.5570	2.4549	1.3898	2.4549	2.8344
C2	1.4447		1.4447	2.3376	2.3376	3.5570	4.4860	4.4860	3.5570	4.0923	3.6740	2.4549	2.8344	2.4549	1.3898	2.4549	3.5570	3.5570	4.5862	4.8084	4.0923	4.4860	5.4540	5.7553	5.1720	5.3700	6.1007	6.1007	5.3700	5.1720	5.7553	6.4681	6.6215	6.9238	6.6215	6.4681	6.6215	6.0309	5.7553	6.1007	5.4540	5.4540	4.5862	4.8084	5.7553	6.1007	6.6638	6.6638	6.9125	7.0619	6.9125	6.6215	6.0309	5.4540	4.4860	4.0923	2.8344	2.4549	3.6740	4.0923
C3	2.3376	1.4447		1.4447	2.3376	3.5570	4.0923	3.6740	2.4549	2.8344	2.4549	1.3898	2.4549	2.8344	2.4549	3.6740	4.4860	4.0923	4.8084	4.5862	3.5570	3.5570	4.5862	4.8084	4.0923	4.4860	5.4540	5.7553	5.1720	5.3700	6.1007	6.6215	6.4681	6.6215	6.0309	5.7553	6.1007	5.4540	5.4540	6.1007	5.7553	6.0309	5.4540	5.7553	6.4681	6.6215	6.9125	6.6638	6.6638	6.9125	7.0619	6.9238	6.6215	6.1007	5.3700	5.1720	4.0923	3.5570	4.4860	4.4860
C4	2.3376	2.3376	1.4447		1.4447	2.4549	2.8344	2.4549	1.3898	2.4549	2.8344	2.4549	3.6740	4.0923	3.5570	4.4860	5.3700	5.1720	5.7553	5.4540	4.4860	4.0923	4.8084	4.5862	3.5570	3.5570	4.5862	4.8084	4.0923	4.4860	5.4540	6.0309	5.7553	6.1007	5.4540	5.4540	6.1007	5.7553	6.0309	6.6215	6.4681	6.6215	6.1007	6.1007	6.6215	6.9238	7.0619	6.9125	6.6638	6.6638	6.9125	6.6215	6.4681	5.7553	5.1720	5.3700	4.4860	3.5570	4.0923	3.6740
C5	1.4447	2.3376	2.3376	1.4447		1.3898	2.4549	2.8344	2.4549	3.6740	4.0923	3.5570	4.4860	4.4860	3.5570	4.0923	5.1720	5.3700	6.1007	6.1007	5.3700	5.1720	5.7553	5.4540	4.4860	4.0923	4.8084	4.5862	3.5570	3.5570	4.5862	5.4540	5.4540	6.1007	5.7553	6.0309	6.6215	6.4681	6.6215	6.9238	6.6215	6.4681	5.7553	5.4540	6.0309	6.6215	6.9125	7.0619	6.9125	6.6638	6.6638	6.1007	5.7553	4.8084	4.0923	4.4860	3.6740	2.4549	2.8344	2.4549
C6	2.4549	3.5570	3.5570	2.4549	1.3898		1.4447	2.4549	2.8344	4.0923	4.8084	4.5862	5.4540	5.4540	4.5862	4.8084	5.7553	6.1007	6.6638	6.6638	6.1007	5.7553	6.0309	5.4540	4.4860	3.6740	4.0923	3.5570	2.3376	2.3376	3.5570	4.4860	4.4860	5.3700	5.1720	5.7553	6.4681	6.6215	6.9125	7.0619	6.9125	6.6215	6.0309	5.4540	5.7553	6.4681	6.6215	6.9238	6.6215	6.1007	6.1007	5.3700	5.1720	4.0923	3.6740	4.4860	4.0923	2.8344	2.4549	1.4447
C7	3.6740	4.4860	4.0923	2.8344	2.4549	1.4447		1.3898	2.4549	3.5570	4.5862	4.8084	5.7553	6.0309	5.4540	5.7553	6.4681	6.6215	6.9125	6.6638	6.1007	5.4540	5.4540	4.5862	3.5570	2.4549	2.8344	2.4549	1.4447	2.3376	3.5570	4.0923	3.6740	4.4860	4.0923	4.8084	5.7553	6.1007	6.6638	6.9125	7.0619	6.9238	6.6215	6.1007	6.1007	6.6215	6.4681	6.6215	6.0309	5.4540	5.7553	5.1720	5.3700	4.4860	4.4860	5.3700	5.1720	4.0923	3.5570	2.3376
C8	4.0923	4.4860	3.6740	2.4549	2.8344	2.4549	1.3898		1.4447	2.3376	3.5570	4.0923	5.1720	5.7553	5.4540	6.0309	6.6215	6.4681	6.6215	6.1007	5.3700	4.4860	4.4860	3.5570	2.3376	1.4447	2.4549	2.8344	2.4549	3.5570	4.5862	4.8084	4.0923	4.4860	3.6740	4.0923	5.1720	5.3700	6.1007	6.6215	6.9238	7.0619	6.9125	6.6638	6.6638	6.9125	6.6215	6.4681	5.7553	5.4540	6.0309	5.7553	6.1007	5.4540	5.4540	6.1007	5.7553	4.8084	4.5862	3.5570
C9	3.5570	3.5570	2.4549	1.3898	2.4549	2.8344	2.4549	1.4447		1.4447	2.4549	2.8344	4.0923	4.8084	4.5862	5.4540	6.1007	5.7553	6.0309	5.4540	4.4860	3.6740	4.0923	3.5570	2.3376	2.3376	3.5570	4.0923	3.6740	4.4860	5.4540	5.7553	5.1720	5.3700	4.4860	4.4860	5.3700	5.1720	5.7553	6.4681	6.6215	6.9125	6.6638	6.6638	6.9125	7.0619	6.9238	6.6215	6.1007	6.1007	6.6215	6.4681	6.6215	6.0309	5.7553	6.1007	5.4540	4.5862	4.8084	4.0923
C10	4.4860	4.0923	2.8344	2.4549	3.6740	4.0923	3.5570	2.3376	1.4447		1.3898	2.4549	3.5570	4.5862	4.8084	5.7553	6.1007	5.4540	5.4540	4.5862	3.5570	2.4549	2.8344	2.4549	1.4447	2.3376	3.5570	4.4860	4.4860	5.3700	6.1007	6.1007	5.3700	5.1720	4.0923	3.6740	4.4860	4.0923	4.8084	5.7553	6.1007	6.6638	6.6638	6.9125	7.0619	6.9125	6.6215	6.0309	5.4540	5.7553	6.4681	6.6215	6.9238	6.6215	6.4681	6.6215	6.0309	5.4540	5.7553	5.1720
C11	4.4860	3.6740	2.4549	2.8344	4.0923	4.8084	4.5862	3.5570	2.4549	1.3898		1.4447	2.3376	3.5570	4.0923	5.1720	5.3700	4.4860	4.4860	3.5570	2.3376	1.4447	2.4549	2.8344	2.4549	3.5570	4.5862	5.4540	5.4540	6.1007	6.6638	6.6638	6.1007	5.7553	4.8084	4.0923	4.4860	3.6740	4.0923	5.1720	5.3700	6.1007	6.1007	6.6215	6.9238	6.6215	6.4681	5.7553	5.4540	6.0309	6.6215	6.9125	7.0619	6.9125	6.6215	6.4681	5.7553	5.4540	6.0309	5.7553
C12	3.5570	2.4549	1.3898	2.4549	3.5570	4.5862	4.8084	4.0923	2.8344	2.4549	1.4447		1.4447	2.4549	2.8344	4.0923	4.4860	3.6740	4.0923	3.5570	2.3376	2.3376	3.5570	4.0923	3.6740	4.4860	5.4540	6.0309	5.7553	6.1007	6.6638	6.9125	6.6215	6.4681	5.7553	5.1720	5.3700	4.4860	4.4860	5.3700	5.1720	5.7553	5.4540	6.0309	6.6215	6.4681	6.6215	6.1007	6.1007	6.6215	6.9238	7.0619	6.9125	6.6638	6.1007	5.7553	4.8084	4.5862	5.4540	5.4540
C13	4.0923	2.8344	2.4549	3.6740	4.4860	5.4540	5.7553	5.1720	4.0923	3.5570	2.3376	1.4447		1.3898	2.4549	3.5570	3.5570	2.4549	2.8344	2.4549	1.4447	2.3376	3.5570	4.4860	4.4860	5.3700	6.1007	6.6215	6.4681	6.6215	6.9125	7.0619	6.9238	6.6215	6.1007	5.3700	5.1720	4.0923	3.6740	4.4860	4.0923	4.8084	4.5862	5.4540	6.1007	5.7553	6.0309	5.4540	5.7553	6.4681	6.6215	6.9125	6.6638	6.6638	6.1007	5.4540	4.5862	4.8084	5.7553	6.0309
C14	3.6740	2.4549	2.8344	4.0923	4.4860	5.4540	6.0309	5.7553	4.8084	4.5862	3.5570	2.4549	1.3898		1.4447	2.3376	2.3376	1.4447	2.4549	2.8344	2.4549	3.5570	4.5862	5.4540	5.4540	6.1007	6.6638	6.9125	6.6215	6.4681	6.6215	6.9238	7.0619	6.9125	6.6638	6.1007	5.7553	4.8084	4.0923	4.4860	3.6740	4.0923	3.5570	4.4860	5.3700	5.1720	5.7553	5.4540	6.0309	6.6215	6.4681	6.6215	6.1007	6.1007	5.3700	4.4860	3.5570	4.0923	5.1720	5.7553
C15	2.4549	1.3898	2.4549	3.5570	3.5570	4.5862	5.4540	5.4540	4.5862	4.8084	4.0923	2.8344	2.4549	1.4447		1.4447	2.3376	2.3376	3.5570	4.0923	3.6740	4.4860	5.4540	6.0309	5.7553	6.1007	6.6638	6.6638	6.1007	5.7553	6.0309	6.6215	6.9125	7.0619	6.9125	6.6215	6.4681	5.7553	5.1720	5.3700	4.4860	4.4860	3.5570	4.0923	5.1720	5.3700	6.1007	6.1007	6.6215	6.9238	6.6215	6.4681	5.7553	5.4540	4.4860	3.6740	2.4549	2.8344	4.0923	4.8084
C16	2.8344	2.4549	3.6740	4.4860	4.0923	4.8084	5.7553	6.0309	5.4540	5.7553	5.1720	4.0923	3.5570	2.3376	1.4447		1.4447	2.3376	3.5570	4.4860	4.4860	5.3700	6.1007	6.6215	6.4681	6.6215	6.9125	6.6638	6.1007	5.4540	5.4540	6.1007	6.6638	6.9125	7.0619	6.9238	6.6215	6.1007	5.3700	5.1720	4.0923	3.6740	2.4549	2.8344	4.0923	4.4860	5.4540	5.7553	6.4681	6.6215	6.0309	5.7553	4.8084	4.5862	3.5570	2.4549	1.3898	2.4549	3.5570	4.5862
C17	4.0923	3.5570	4.4860	5.3700	5.1720	5.7553	6.4681	6.6215	6.1007	6.1007	5.3700	4.4860	3.5570	2.3376	2.3376	1.4447		1.4447	2.4549	3.6740	4.0923	5.1720	5.7553	6.4681	6.6215	6.9238	7.0619	6.9125	6.6215	6.0309	5.7553	6.1007	6.6638	6.6638	6.9125	6.6215	6.0309	5.4540	4.4860	4.0923	2.8344	2.4549	1.3898	2.4549	3.5570	3.5570	4.5862	4.8084	5.7553	6.1007	5.4540	5.4540	4.5862	4.8084	4.0923	2.8344	2.4549	3.6740	4.4860	5.4540
C18	4.4860	3.5570	4.0923	5.1720	5.3700	6.1007	6.6215	6.4681	5.7553	5.4540	4.4860	3.6740	2.4549	1.4447	2.3376	2.3376	1.4447		1.3898	2.4549	2.8344	4.0923	4.8084	5.7553	6.0309	6.6215	6.9125	7.0619	6.9238	6.6215	6.4681	6.6215	6.9125	6.6638	6.6638	6.1007	5.4540	4.5862	3.5570	3.5570	2.4549	2.8344	2.4549	3.6740	4.4860	4.0923	4.8084	4.5862	5.4540	6.1007	5.7553	6.0309	5.4540	5.7553	5.1720	4.0923	3.5570	4.4860	5.3700	6.1007
C19	5.4540	4.5862	4.8084	5.7553	6.1007	6.6638	6.9125	6.6215	6.0309	5.4540	4.4860	4.0923	2.8344	2.4549	3.5570	3.5570	2.4549	1.3898		1.4447	2.4549	3.6740	4.0923	5.1720	5.7553	6.4681	6.6215	6.9238	7.0619	6.9125	6.6215	6.4681	6.6215	6.1007	6.1007	5.3700	4.4860	3.5570	2.3376	2.3376	1.4447	2.4549	2.8344	4.0923	4.4860	3.6740	4.0923	3.5570	4.4860	5.3700	5.1720	5.7553	5.4540	6.0309	5.7553	4.8084	4.5862	5.4540	6.1007	6.6638
C20	5.7553	4.8084	4.5862	5.4540	6.1007	6.6638	6.6638	6.1007	5.4540	4.5862	3.5570	3.5570	2.4549	2.8344	4.0923	4.4860	3.6740	2.4549	1.4447		1.3898	2.4549	2.8344	4.0923	4.8084	5.7553	6.0309	6.6215	6.9125	7.0619	6.9238	6.6215	6.4681	5.7553	5.4540	4.4860	3.6740	2.4549	1.4447	2.3376	2.3376	3.5570	4.0923	5.1720	5.3700	4.4860	4.4860	3.5570	4.0923	5.1720	5.3700	6.1007	6.1007	6.6215	6.4681	5.7553	5.4540	6.0309	6.6215	6.9125
C21	5.1720	4.0923	3.5570	4.4860	5.3700	6.1007	6.1007	5.3700	4.4860	3.5570	2.3376	2.3376	1.4447	2.4549	3.6740	4.4860	4.0923	2.8344	2.4549	1.3898		1.4447	2.4549	3.6740	4.0923	5.1720	5.7553	6.4681	6.6215	6.9238	7.0619	6.9125	6.6215	6.0309	5.4540	4.4860	4.0923	2.8344	2.4549	3.5570	3.5570	4.5862	4.8084	5.7553	6.1007	5.4540	5.4540	4.5862	4.8084	5.7553	6.1007	6.6638	6.6638	6.9125	6.6215	6.0309	5.4540	5.7553	6.4681	6.6215
C22	5.3700	4.4860	3.5570	4.0923	5.1720	5.7553	5.4540	4.4860	3.6740	2.4549	1.4447	2.3376	2.3376	3.5570	4.4860	5.3700	5.1720	4.0923	3.6740	2.4549	1.4447		1.3898	2.4549	2.8344	4.0923	4.8084	5.7553	6.0309	6.6215	6.9125	6.6638	6.1007	5.4540	4.5862	3.5570	3.5570	2.4549	2.8344	4.0923	4.4860	5.4540	5.7553	6.4681	6.6215	6.0309	5.7553	4.8084	4.5862	5.4540	6.1007	6.6638	6.9125	7.0619	6.9238	6.6215	6.1007	6.1007	6.6215	6.4681
C23	6.1007	5.4540	4.5862	4.8084	5.7553	6.0309	5.4540	4.4860	4.0923	2.8344	2.4549	3.5570	3.5570	4.5862	5.4540	6.1007	5.7553	4.8084	4.0923	2.8344	2.4549	1.3898		1.4447	2.4549	3.6740	4.0923	5.1720	5.7553	6.4681	6.6215	6.1007	5.3700	4.4860	3.5570	2.3376	2.3376	1.4447	2.4549	3.6740	4.4860	5.4540	6.0309	6.6215	6.4681	5.7553	5.1720	4.0923	3.5570	4.4860	5.3700	6.1007	6.6215	6.9238	7.0619	6.9125	6.6638	6.6638	6.9125	6.6215
C24	6.1007	5.7553	4.8084	4.5862	5.4540	5.4540	4.5862	3.5570	3.5570	2.4549	2.8344	4.0923	4.4860	5.4540	6.0309	6.6215	6.4681	5.7553	5.1720	4.0923	3.6740	2.4549	1.4447		1.3898	2.4549	2.8344	4.0923	4.8084	5.7553	6.0309	5.4540	4.4860	3.6740	2.4549	1.4447	2.3376	2.3376	3.5570	4.4860	5.3700	6.1007	6.6215	6.9238	6.6215	6.1007	5.3700	4.4860	3.5570	4.0923	5.1720	5.7553	6.4681	6.6215	6.9125	7.0619	6.9125	6.6638	6.6638	6.1007
C25	5.3700	5.1720	4.0923	3.5570	4.4860	4.4860	3.5570	2.3376	2.3376	1.4447	2.4549	3.6740	4.4860	5.4540	5.7553	6.4681	6.6215	6.0309	5.7553	4.8084	4.0923	2.8344	2.4549	1.3898		1.4447	2.4549	3.6740	4.0923	5.1720	5.7553	5.4540	4.4860	4.0923	2.8344	2.4549	3.5570	3.5570	4.5862	5.4540	6.1007	6.6638	6.9125	7.0619	6.9125	6.6638	6.1007	5.4540	4.5862	4.8084	5.7553	6.0309	6.6215	6.4681	6.6215	6.9238	6.6215	6.1007	6.1007	5.3700
C26	5.1720	5.3700	4.4860	3.5570	4.0923	3.6740	2.4549	1.4447	2.3376	2.3376	3.5570	4.4860	5.3700	6.1007	6.1007	6.6215	6.9238	6.6215	6.4681	5.7553	5.1720	4.0923	3.6740	2.4549	1.4447		1.3898	2.4549	2.8344	4.0923	4.8084	4.5862	3.5570	3.5570	2.4549	2.8344	4.0923	4.4860	5.4540	6.0309	6.6215	6.9125	7.0619	6.9125	6.6638	6.6638	6.1007	5.7553	4.8084	4.5862	5.4540	5.4540	6.1007	5.7553	6.0309	6.6215	6.4681	5.7553	5.4540	4.4860
C27	5.7553	6.1007	5.4540	4.5862	4.8084	4.0923	2.8344	2.4549	3.5570	3.5570	4.5862	5.4540	6.1007	6.6638	6.6638	6.9125	7.0619	6.9125	6.6215	6.0309	5.7553	4.8084	4.0923	2.8344	2.4549	1.3898		1.4447	2.4549	3.6740	4.0923	3.5570	2.3376	2.3376	1.4447	2.4549	3.6740	4.4860	5.4540	5.7553	6.4681	6.6215	6.9238	6.6215	6.1007	6.1007	5.3700	5.1720	4.0923	3.5570	4.4860	4.4860	5.3700	5.1720	5.7553	6.4681	6.6215	6.0309	5.4540	4.4860
C28	5.4540	6.1007	5.7553	4.8084	4.5862	3.5570	2.4549	2.8344	4.0923	4.4860	5.4540	6.0309	6.6215	6.9125	6.6638	6.6638	6.9125	7.0619	6.9238	6.6215	6.4681	5.7553	5.1720	4.0923	3.6740	2.4549	1.4447		1.3898	2.4549	2.8344	2.4549	1.4447	2.3376	2.3376	3.5570	4.4860	5.3700	6.1007	6.1007	6.6215	6.4681	6.6215	6.0309	5.4540	5.7553	5.1720	5.3700	4.4860	3.5570	4.0923	3.6740	4.4860	4.0923	4.8084	5.7553	6.1007	5.4540	4.5862	3.5570
C29	4.4860	5.3700	5.1720	4.0923	3.5570	2.3376	1.4447	2.4549	3.6740	4.4860	5.4540	5.7553	6.4681	6.6215	6.1007	6.1007	6.6215	6.9238	7.0619	6.9125	6.6215	6.0309	5.7553	4.8084	4.0923	2.8344	2.4549	1.3898		1.4447	2.4549	2.8344	2.4549	3.5570	3.5570	4.5862	5.4540	6.1007	6.6638	6.6638	6.9125	6.6215	6.4681	5.7553	5.4540	6.0309	5.7553	6.1007	5.4540	4.5862	4.8084	4.0923	4.4860	3.6740	4.0923	5.1720	5.3700	4.4860	3.5570	2.3376
C30	4.0923	5.1720	5.3700	4.4860	3.5570	2.3376	2.3376	3.5570	4.4860	5.3700	6.1007	6.1007	6.6215	6.4681	5.7553	5.4540	6.0309	6.6215	6.9125	7.0619	6.9238	6.6215	6.4681	5.7553	5.1720	4.0923	3.6740	2.4549	1.4447		1.3898	2.4549	2.8344	4.0923	4.4860	5.4540	6.0309	6.6215	6.9125	6.6638	6.6638	6.1007	5.7553	4.8084	4.5862	5.4540	5.4540	6.1007	5.7553	4.8084	4.5862	3.5570	3.5570	2.4549	2.8344	4.0923	4.4860	3.6740	2.4549	1.4447
C31	4.8084	5.7553	6.1007	5.4540	4.5862	3.5570	3.5570	4.5862	5.4540	6.1007	6.6638	6.6638	6.9125	6.6215	6.0309	5.4540	5.7553	6.4681	6.6215	6.9238	7.0619	6.9125	6.6215	6.0309	5.7553	4.8084	4.0923	2.8344	2.4549	1.3898		1.4447	2.4549	3.6740	4.4860	5.4540	5.7553	6.4681	6.6215	6.1007	6.1007	5.3700	5.1720	4.0923	3.5570	4.4860	4.4860	5.3700	5.1720	4.0923	3.5570	2.3376	2.3376	1.4447	2.4549	3.6740	4.4860	4.0923	2.8344	2.4549
C32	5.7553	6.4681	6.6215	6.0309	5.4540	4.4860	4.0923	4.8084	5.7553	6.1007	6.6638	6.9125	7.0619	6.9238	6.6215	6.1007	6.1007	6.6215	6.4681	6.6215	6.9125	6.6638	6.1007	5.4540	5.4540	4.5862	3.5570	2.4549	2.8344	2.4549	1.4447		1.3898	2.4549	3.5570	4.5862	4.8084	5.7553	6.0309	5.4540	5.7553	5.1720	5.3700	4.4860	3.5570	4.0923	3.6740	4.4860	4.0923	2.8344	2.4549	1.4447	2.3376	2.3376	3.5570	4.4860	5.3700	5.1720	4.0923	3.6740
C33	6.0309	6.6215	6.4681	5.7553	5.4540	4.4860	3.6740	4.0923	5.1720	5.3700	6.1007	6.6215	6.9238	7.0619	6.9125	6.6638	6.6638	6.9125	6.6215	6.4681	6.6215	6.1007	5.3700	4.4860	4.4860	3.5570	2.3376	1.4447	2.4549	2.8344	2.4549	1.3898		1.4447	2.3376	3.5570	4.0923	5.1720	5.7553	5.4540	6.0309	5.7553	6.1007	5.4540	4.5862	4.8084	4.0923	4.4860	3.6740	2.4549	2.8344	2.4549	3.5570	3.5570	4.5862	5.4540	6.1007	5.7553	4.8084	4.0923
C34	6.6215	6.9238	6.6215	6.1007	6.1007	5.3700	4.4860	4.4860	5.3700	5.1720	5.7553	6.4681	6.6215	6.9125	7.0619	6.9125	6.6638	6.6638	6.1007	5.7553	6.0309	5.4540	4.4860	3.6740	4.0923	3.5570	2.3376	2.3376	3.5570	4.0923	3.6740	2.4549	1.4447		1.4447	2.4549	2.8344	4.0923	4.8084	4.5862	5.4540	5.4540	6.1007	5.7553	4.8084	4.5862	3.5570	3.5570	2.4549	1.3898	2.4549	2.8344	4.0923	4.4860	5.4540	6.0309	6.6215	6.4681	5.7553	5.1720
C35	6.4681	6.6215	6.0309	5.4540	5.7553	5.1720	4.0923	3.6740	4.4860	4.0923	4.8084	5.7553	6.1007	6.6638	6.9125	7.0619	6.9125	6.6638	6.1007	5.4540	5.4540	4.5862	3.5570	2.4549	2.8344	2.4549	1.4447	2.3376	3.5570	4.4860	4.4860	3.5570	2.3376	1.4447		1.3898	2.4549	3.5570	4.5862	4.8084	5.7553	6.0309	6.6215	6.4681	5.7553	5.4540	4.4860	4.0923	2.8344	2.4549	3.6740	4.0923	5.1720	5.3700	6.1007	6.6215	6.9238	6.6215	6.1007	5.3700
C36	6.6215	6.4681	5.7553	5.4540	6.0309	5.7553	4.8084	4.0923	4.4860	3.6740	4.0923	5.1720	5.3700	6.1007	6.6215	6.9238	6.6215	6.1007	5.3700	4.4860	4.4860	3.5570	2.3376	1.4447	2.4549	2.8344	2.4549	3.5570	4.5862	5.4540	5.4540	4.5862	3.5570	2.4549	1.3898		1.4447	2.3376	3.5570	4.0923	5.1720	5.7553	6.4681	6.6215	6.0309	5.4540	4.4860	3.6740	2.4549	2.8344	4.0923	4.8084	5.7553	6.1007	6.6638	6.9125	7.0619	6.9125	6.6638	6.1007
C37	6.9238	6.6215	6.1007	6.1007	6.6215	6.4681	5.7553	5.1720	5.3700	4.4860	4.4860	5.3700	5.1720	5.7553	6.4681	6.6215	6.0309	5.4540	4.4860	3.6740	4.0923	3.5570	2.3376	2.3376	3.5570	4.0923	3.6740	4.4860	5.4540	6.0309	5.7553	4.8084	4.0923	2.8344	2.4549	1.4447		1.4447	2.4549	2.8344	4.0923	4.8084	5.7553	6.1007	5.4540	4.5862	3.5570	2.4549	1.3898	2.4549	3.5570	4.5862	5.4540	6.1007	6.6638	6.6638	6.9125	7.0619	6.9125	6.6215
C38	6.6215	6.0309	5.4540	5.7553	6.4681	6.6215	6.1007	5.3700	5.1720	4.0923	3.6740	4.4860	4.0923	4.8084	5.7553	6.1007	5.4540	4.5862	3.5570	2.4549	2.8344	2.4549	1.4447	2.3376	3.5570	4.4860	4.4860	5.3700	6.1007	6.6215	6.4681	5.7553	5.1720	4.0923	3.5570	2.3376	1.4447		1.3898	2.4549	3.5570	4.5862	5.4540	6.1007	5.7553	4.8084	4.0923	2.8344	2.4549	3.6740	4.4860	5.4540	6.0309	6.6215	6.9125	6.6638	6.6638	6.9125	7.0619	6.9238
C39	6.4681	5.7553	5.4540	6.0309	6.6215	6.9125	6.6638	6.1007	5.7553	4.8084	4.0923	4.4860	3.6740	4.0923	5.1720	5.3700	4.4860	3.5570	2.3376	1.4447	2.4549	2.8344	2.4549	3.5570	4.5862	5.4540	5.4540	6.1007	6.6638	6.9125	6.6215	6.0309	5.7553	4.8084	4.5862	3.5570	2.4549	1.3898		1.4447	2.3376	3.5570	4.4860	5.3700	5.1720	4.0923	3.6740	2.4549	2.8344	4.0923	4.4860	5.4540	5.7553	6.4681	6.6215	6.1007	6.1007	6.6215	6.9238	7.0619
C40	6.6215	6.1007	6.1007	6.6215	6.9238	7.0619	6.9125	6.6215	6.4681	5.7553	5.1720	5.3700	4.4860	4.4860	5.3700	5.1720	4.0923	3.5570	2.3376	2.3376	3.5570	4.0923	3.6740	4.4860	5.4540	6.0309	5.7553	6.1007	6.6638	6.6638	6.1007	5.4540	5.4540	4.5862	4.8084	4.0923	2.8344	2.4549	1.4447		1.4447	2.4549	3.6740	4.4860	4.0923	2.8344	2.4549	1.3898	2.4549	3.5570	3.5570	4.5862	4.8084	5.7553	6.0309	5.4540	5.7553	6.4681	6.6215	6.9125
C41	6.0309	5.4540	5.7553	6.4681	6.6215	6.9125	7.0619	6.9238	6.6215	6.1007	5.3700	5.1720	4.0923	3.6740	4.4860	4.0923	2.8344	2.4549	1.4447	2.3376	3.5570	4.4860	4.4860	5.3700	6.1007	6.6215	6.4681	6.6215	6.9125	6.6638	6.1007	5.7553	6.0309	5.4540	5.7553	5.1720	4.0923	3.5570	2.3376	1.4447		1.3898	2.4549	3.5570	3.5570	2.4549	2.8344	2.4549	3.6740	4.4860	4.0923	4.8084	4.5862	5.4540	5.4540	4.5862	4.8084	5.7553	6.1007	6.6638
C42	5.7553	5.4540	6.0309	6.6215	6.4681	6.6215	6.9238	7.0619	6.9125	6.6638	6.1007	5.7553	4.8084	4.0923	4.4860	3.6740	2.4549	2.8344	2.4549	3.5570	4.5862	5.4540	5.4540	6.1007	6.6638	6.9125	6.6215	6.4681	6.6215	6.1007	5.3700	5.1720	5.7553	5.4540	6.0309	5.7553	4.8084	4.5862	3.5570	2.4549	1.3898		1.4447	2.3376	2.3376	1.4447	2.4549	2.8344	4.0923	4.4860	3.6740	4.0923	3.5570	4.4860	4.4860	3.5570	4.0923	5.1720	5.3700	6.1007
C43	4.8084	4.5862	5.4540	6.1007	5.7553	6.0309	6.6215	6.9125	6.6638	6.6638	6.1007	5.4540	4.5862	3.5570	3.5570	2.4549	1.3898	2.4549	2.8344	4.0923	4.8084	5.7553	6.0309	6.6215	6.9125	7.0619	6.9238	6.6215	6.4681	5.7553	5.1720	5.3700	6.1007	6.1007	6.6215	6.4681	5.7553	5.4540	4.4860	3.6740	2.4549	1.4447		1.4447	2.3376	2.3376	3.5570	4.0923	5.1720	5.3700	4.4860	4.4860	3.5570	4.0923	3.6740	2.4549	2.8344	4.0923	4.4860	5.4540
C44	4.5862	4.8084	5.7553	6.1007	5.4540	5.4540	6.1007	6.6638	6.6638	6.9125	6.6215	6.0309	5.4540	4.4860	4.0923	2.8344	2.4549	3.6740	4.0923	5.1720	5.7553	6.4681	6.6215	6.9238	7.0619	6.9125	6.6215	6.0309	5.7553	4.8084	4.0923	4.4860	5.4540	5.7553	6.4681	6.6215	6.1007	6.1007	5.3700	4.4860	3.5570	2.3376	1.4447		1.4447	2.3376	3.5570	4.4860	5.3700	5.1720	4.0923	3.6740	2.4549	2.8344	2.4549	1.3898	2.4549	3.5570	3.5570	4.5862
C45	5.4540	5.7553	6.4681	6.6215	6.0309	5.7553	6.1007	6.6638	6.9125	7.0619	6.9238	6.6215	6.1007	5.3700	5.1720	4.0923	3.5570	4.4860	4.4860	5.3700	6.1007	6.6215	6.4681	6.6215	6.9125	6.6638	6.1007	5.4540	5.4540	4.5862	3.5570	3.5570	4.5862	4.8084	5.7553	6.0309	5.4540	5.7553	5.1720	4.0923	3.5570	2.3376	2.3376	1.4447		1.4447	2.4549	3.6740	4.4860	4.0923	2.8344	2.4549	1.3898	2.4549	2.8344	2.4549	3.6740	4.4860	4.0923	4.8084
C46	6.1007	6.1007	6.6215	6.9238	6.6215	6.4681	6.6215	6.9125	7.0619	6.9125	6.6215	6.4681	5.7553	5.1720	5.3700	4.4860	3.5570	4.0923	3.6740	4.4860	5.4540	6.0309	5.7553	6.1007	6.6638	6.6638	6.1007	5.7553	6.0309	5.4540	4.4860	4.0923	4.8084	4.5862	5.4540	5.4540	4.5862	4.8084	4.0923	2.8344	2.4549	1.4447	2.3376	2.3376	1.4447		1.3898	2.4549	3.5570	3.5570	2.4549	2.8344	2.4549	3.6740	4.0923	3.5570	4.4860	5.3700	5.1720	5.7553
C47	6.6638	6.6638	6.9125	7.0619	6.9125	6.6215	6.4681	6.6215	6.9238	6.6215	6.4681	6.6215	6.0309	5.7553	6.1007	5.4540	4.5862	4.8084	4.0923	4.4860	5.4540	5.7553	5.1720	5.3700	6.1007	6.1007	5.3700	5.1720	5.7553	5.4540	4.4860	3.6740	4.0923	3.5570	4.4860	4.4860	3.5570	4.0923	3.6740	2.4549	2.8344	2.4549	3.5570	3.5570	2.4549	1.3898		1.4447	2.3376	2.3376	1.4447	2.4549	2.8344	4.0923	4.8084	4.5862	5.4540	6.1007	5.7553	6.0309
C48	6.9125	6.6638	6.6638	6.9125	7.0619	6.9238	6.6215	6.4681	6.6215	6.0309	5.7553	6.1007	5.4540	5.4540	6.1007	5.7553	4.8084	4.5862	3.5570	3.5570	4.5862	4.8084	4.0923	4.4860	5.4540	5.7553	5.1720	5.3700	6.1007	6.1007	5.3700	4.4860	4.4860	3.5570	4.0923	3.6740	2.4549	2.8344	2.4549	1.3898	2.4549	2.8344	4.0923	4.4860	3.6740	2.4549	1.4447		1.4447	2.3376	2.3376	3.5570	4.0923	5.1720	5.7553	5.4540	6.0309	6.6215	6.4681	6.6215
C49	7.0619	6.9125	6.6638	6.6638	6.9125	6.6215	6.0309	5.7553	6.1007	5.4540	5.4540	6.1007	5.7553	6.0309	6.6215	6.4681	5.7553	5.4540	4.4860	4.0923	4.8084	4.5862	3.5570	3.5570	4.5862	4.8084	4.0923	4.4860	5.4540	5.7553	5.1720	4.0923	3.6740	2.4549	2.8344	2.4549	1.3898	2.4549	2.8344	2.4549	3.6740	4.0923	5.1720	5.3700	4.4860	3.5570	2.3376	1.4447		1.4447	2.3376	3.5570	4.4860	5.3700	6.1007	6.1007	6.6215	6.9238	6.6215	6.4681
C50	6.9125	7.0619	6.9125	6.6638	6.6638	6.1007	5.4540	5.4540	6.1007	5.7553	6.0309	6.6215	6.4681	6.6215	6.9238	6.6215	6.1007	6.1007	5.3700	5.1720	5.7553	5.4540	4.4860	4.0923	4.8084	4.5862	3.5570	3.5570	4.5862	4.8084	4.0923	2.8344	2.4549	1.3898	2.4549	2.8344	2.4549	3.6740	4.0923	3.5570	4.4860	4.4860	5.3700	5.1720	4.0923	3.5570	2.3376	2.3376	1.4447		1.4447	2.4549	3.6740	4.4860	5.4540	5.7553	6.4681	6.6215	6.0309	5.7553
C51	6.6638	6.9125	7.0619	6.9125	6.6638	6.1007	5.7553	6.0309	6.6215	6.4681	6.6215	6.9238	6.6215	6.4681	6.6215	6.0309	5.4540	5.7553	5.1720	5.3700	6.1007	6.1007	5.3700	5.1720	5.7553	5.4540	4.4860	4.0923	4.8084	4.5862	3.5570	2.4549	2.8344	2.4549	3.6740	4.0923	3.5570	4.4860	4.4860	3.5570	4.0923	3.6740	4.4860	4.0923	2.8344	2.4549	1.4447	2.3376	2.3376	1.4447		1.3898	2.4549	3.5570	4.5862	4.8084	5.7553	6.1007	5.4540	5.4540
C52	6.1007	6.6215	6.9238	6.6215	6.1007	5.3700	5.1720	5.7553	6.4681	6.6215	6.9125	7.0619	6.9125	6.6215	6.4681	5.7553	5.4540	6.0309	5.7553	6.1007	6.6638	6.6638	6.1007	5.7553	6.0309	5.4540	4.4860	3.6740	4.0923	3.5570	2.3376	1.4447	2.4549	2.8344	4.0923	4.8084	4.5862	5.4540	5.4540	4.5862	4.8084	4.0923	4.4860	3.6740	2.4549	2.8344	2.4549	3.5570	3.5570	2.4549	1.3898		1.4447	2.3376	3.5570	4.0923	5.1720	5.3700	4.4860	4.4860
C53	5.4540	6.0309	6.6215	6.4681	5.7553	5.1720	5.3700	6.1007	6.6215	6.9238	7.0619	6.9125	6.6638	6.1007	5.7553	4.8084	4.5862	5.4540	5.4540	6.1007	6.6638	6.9125	6.6215	6.4681	6.6215	6.1007	5.3700	4.4860	4.4860	3.5570	2.3376	2.3376	3.5570	4.0923	5.1720	5.7553	5.4540	6.0309	5.7553	4.8084	4.5862	3.5570	3.5570	2.4549	1.3898	2.4549	2.8344	4.0923	4.4860	3.6740	2.4549	1.4447		1.4447	2.4549	2.8344	4.0923	4.4860	3.6740	4.0923
C54	4.5862	5.4540	6.1007	5.7553	4.8084	4.0923	4.4860	5.4540	6.0309	6.6215	6.9125	6.6638	6.6638	6.1007	5.4540	4.5862	4.8084	5.7553	6.0309	6.6215	6.9125	7.0619	6.9238	6.6215	6.4681	5.7553	5.1720	4.0923	3.6740	2.4549	1.4447	2.3376	3.5570	4.4860	5.3700	6.1007	6.1007	6.6215	6.4681	5.7553	5.4540	4.4860	4.0923	2.8344	2.4549	3.6740	4.0923	5.1720	5.3700	4.4860	3.5570	2.3376	1.4447		1.3898	2.4549	3.5570	3.5570	2.4549	2.8344
C55	3.5570	4.4860	5.3700	5.1720	4.0923	3.6740	4.4860	5.4540	5.7553	6.4681	6.6215	6.1007	6.1007	5.3700	4.4860	3.5570	4.0923	5.1720	5.7553	6.4681	6.6215	6.9238	7.0619	6.9125	6.6215	6.0309	5.7553	4.8084	4.0923	2.8344	2.4549	3.5570	4.5862	5.4540	6.1007	6.6638	6.6638	6.9125	6.6215	6.0309	5.4540	4.4860	3.6740	2.4549	2.8344	4.0923	4.8084	5.7553	6.1007	5.4540	4.5862	3.5570	2.4549	1.3898		1.4447	2.3376	2.3376	1.4447	2.4549
C56	3.5570	4.0923	5.1720	5.3700	4.4860	4.4860	5.3700	6.1007	6.1007	6.6215	6.4681	5.7553	5.4540	4.4860	3.6740	2.4549	2.8344	4.0923	4.8084	5.7553	6.0309	6.6215	6.9125	7.0619	6.9238	6.6215	6.4681	5.7553	5.1720	4.0923	3.6740	4.4860	5.4540	6.0309	6.6215	6.9125	6.6638	6.6638	6.1007	5.4540	4.5862	3.5570	2.4549	1.3898	2.4549	3.5570	4.5862	5.4540	6.1007	5.7553	4.8084	4.0923	2.8344	2.4549	1.4447		1.4447	2.3376	2.3376	3.5570
C57	2.4549	2.8344	4.0923	4.4860	3.6740	4.0923	5.1720	5.7553	5.4540	6.0309	5.7553	4.8084	4.5862	3.5570	2.4549	1.3898	2.4549	3.5570	4.5862	5.4540	5.4540	6.1007	6.6638	6.9125	6.6215	6.4681	6.6215	6.1007	5.3700	4.4860	4.4860	5.3700	6.1007	6.6215	6.9238	7.0619	6.9125	6.6638	6.1007	5.7553	4.8084	4.0923	2.8344	2.4549	3.6740	4.4860	5.4540	6.0309	6.6215	6.4681	5.7553	5.1720	4.0923	3.5570	2.3376	1.4447		1.4447	2.3376	3.5570
C58	1.3898	2.4549	3.5570	3.5570	2.4549	2.8344	4.0923	4.8084	4.5862	5.4540	5.4540	4.5862	4.8084	4.0923	2.8344	2.4549	3.6740	4.4860	5.4540	6.0309	5.7553	6.1007	6.6638	6.6638	6.1007	5.7553	6.0309	5.4540	4.4860	3.6740	4.0923	5.1720	5.7553	6.4681	6.6215	6.9125	7.0619	6.9125	6.6215	6.4681	5.7553	5.1720	4.0923	3.5570	4.4860	5.3700	6.1007	6.6215	6.9238	6.6215	6.1007	5.3700	4.4860	3.5570	2.3376	2.3376	1.4447		1.4447	2.4549
C59	2.4549	3.6740	4.4860	4.0923	2.8344	2.4549	3.5570	4.5862	4.8084	5.7553	6.0309	5.4540	5.7553	5.1720	4.0923	3.5570	4.4860	5.3700	6.1007	6.6215	6.4681	6.6215	6.9125	6.6638	6.1007	5.4540	5.4540	4.5862	3.5570	2.4549	2.8344	4.0923	4.8084	5.7553	6.1007	6.6638	6.9125	7.0619	6.9238	6.6215	6.1007	5.3700	4.4860	3.5570	4.0923	5.1720	5.7553	6.4681	6.6215	6.0309	5.4540	4.4860	3.6740	2.4549	1.4447	2.3376	2.3376	1.4447		1.3898
C60	2.8344	4.0923	4.4860	3.6740	2.4549	1.4447	2.3376	3.5570	4.0923	5.1720	5.7553	5.4540	6.0309	5.7553	4.8084	4.5862	5.4540	6.1007	6.6638	6.9125	6.6215	6.4681	6.6215	6.1007	5.3700	4.4860	4.4860	3.5570	2.3376	1.4447	2.4549	3.6740	4.0923	5.1720	5.3700	6.1007	6.6215	6.9238	7.0619	6.9125	6.6638	6.1007	5.4540	4.5862	4.8084	5.7553	6.0309	6.6215	6.4681	5.7553	5.4540	4.4860	4.0923	2.8344	2.4549	3.5570	3.5570	2.4549	1.3898

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 B1B95/cc-pVDZ 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 -329.000 0.000 0.000 y 0.000 -329.000 0.000 z 0.000 0.000 -329.000

Traceless   x y z x 0.000 0.000 0.000 y 0.000 0.000 0.000 z 0.000 0.000 0.000

Polar 3z2-r2 0.000 x2-y2 0.000 xy 0.000 xz 0.000 yz 0.000

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

	x	y	z
x	71.050	0.000	0.000
y	0.000	71.051	0.000
z	0.000	0.000	71.051

<r²> (average value of r²) Ų

<r2>	4693.806
(<r2>)1/2	68.511