All results from a given calculation for C₆₀ (Buckminsterfullerene)

Energy calculated at wB97X-D/6-31G*

	hartrees
Energy at 0K	-2285.456230
Energy at 298.15K	-2285.455390
HF Energy	-2285.456230
Nuclear repulsion energy

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 wB97X-D/6-31G*

Mode Number	Symmetry	Frequency (cm-1)	Scaled Frequency (cm-1)	IR Intensities (km mol-1)	Raman Act (Å4/u)	Dep P	Dep U
1	Ag	1543	1463	0.00
2	Ag	505	479	0.00
3	Au	984	933	0.00
4	T1g	1332	1264	0.00
4	T1g	1332	1264	0.00
4	T1g	1332	1264	0.00
5	T1g	857	813	0.00
5	T1g	857	813	0.00
5	T1g	857	813	0.00
6	T1g	589	559	0.00
6	T1g	589	559	0.00
6	T1g	589	559	0.00
7	T1u	1500	1423	14.94
7	T1u	1500	1423	14.97
7	T1u	1500	1423	14.94
8	T1u	1241	1177	9.09
8	T1u	1241	1177	9.09
8	T1u	1241	1177	9.09
9	T1u	599	569	10.49
9	T1u	599	569	10.49
9	T1u	599	569	10.49
10	T1u	551	523	35.39
10	T1u	551	523	35.39
10	T1u	551	523	35.39
11	T2g	1419	1346	0.00
11	T2g	1419	1346	0.00
11	T2g	1419	1346	0.00
12	T2g	814	772	0.00
12	T2g	814	772	0.00
12	T2g	814	772	0.00
13	T2g	742	704	0.00
13	T2g	742	704	0.00
13	T2g	742	704	0.00
14	T2g	578	548	0.00
14	T2g	578	548	0.00
14	T2g	578	548	0.00
15	T2u	1609	1526	0.00
15	T2u	1609	1526	0.00
15	T2u	1609	1526	0.00
16	T2u	1214	1151	0.00
16	T2u	1214	1151	0.00
16	T2u	1214	1151	0.00
17	T2u	987	936	0.00
17	T2u	987	936	0.00
17	T2u	987	936	0.00
18	T2u	739	701	0.00
18	T2u	739	701	0.00
18	T2u	739	701	0.00
19	T2u	346	329	0.00
19	T2u	346	329	0.00
19	T2u	346	329	0.00
20	Gg	1587	1506	0.00
20	Gg	1587	1506	0.00
20	Gg	1587	1506	0.00
20	Gg	1587	1506	0.00
21	Gg	1360	1290	0.00
21	Gg	1360	1290	0.00
21	Gg	1360	1290	0.00
21	Gg	1360	1290	0.00
22	Gg	1107	1050	0.00
22	Gg	1107	1050	0.00
22	Gg	1107	1050	0.00
22	Gg	1107	1050	0.00
23	Gg	775	735	0.00
23	Gg	775	735	0.00
23	Gg	775	735	0.00
23	Gg	775	735	0.00
24	Gg	584	554	0.00
24	Gg	584	554	0.00
24	Gg	584	554	0.00
24	Gg	584	554	0.00
25	Gg	500	474	0.00
25	Gg	500	474	0.00
25	Gg	500	474	0.00
25	Gg	500	474	0.00
26	Gu	1516	1438	0.00
26	Gu	1516	1438	0.00
26	Gu	1516	1438	0.00
26	Gu	1516	1438	0.00
27	Gu	1370	1299	0.00
27	Gu	1370	1299	0.00
27	Gu	1370	1299	0.00
27	Gu	1370	1299	0.00
28	Gu	1004	952	0.00
28	Gu	1004	952	0.00
28	Gu	1004	952	0.00
28	Gu	1004	952	0.00
29	Gu	778	738	0.00
29	Gu	778	738	0.00
29	Gu	778	738	0.00
29	Gu	778	738	0.00
30	Gu	759	720	0.00
30	Gu	759	720	0.00
30	Gu	759	720	0.00
30	Gu	759	720	0.00
31	Gu	365	346	0.00
31	Gu	365	346	0.00
31	Gu	365	346	0.00
31	Gu	365	346	0.00
32	Hg	1672	1586	0.00
32	Hg	1672	1586	0.00
32	Hg	1672	1586	0.00
32	Hg	1672	1586	0.00
32	Hg	1672	1586	0.00
33	Hg	1499	1422	0.00
33	Hg	1499	1422	0.00
33	Hg	1499	1422	0.00
33	Hg	1499	1422	0.00
33	Hg	1499	1422	0.00
34	Hg	1317	1249	0.00
34	Hg	1317	1249	0.00
34	Hg	1317	1249	0.00
34	Hg	1317	1249	0.00
34	Hg	1317	1249	0.00
35	Hg	1150	1091	0.00
35	Hg	1150	1091	0.00
35	Hg	1150	1091	0.00
35	Hg	1150	1091	0.00
35	Hg	1150	1091	0.00
36	Hg	803	762	0.00
36	Hg	803	762	0.00
36	Hg	803	762	0.00
36	Hg	803	762	0.00
36	Hg	803	762	0.00
37	Hg	735	697	0.00
37	Hg	735	697	0.00
37	Hg	735	697	0.00
37	Hg	735	697	0.00
37	Hg	735	697	0.00
38	Hg	446	423	0.00
38	Hg	446	423	0.00
38	Hg	446	423	0.00
38	Hg	446	423	0.00
38	Hg	446	423	0.00
39	Hg	271	257	0.00
39	Hg	271	257	0.00
39	Hg	271	257	0.00
39	Hg	271	257	0.00
39	Hg	271	257	0.00
40	Hu	1666	1580	0.00
40	Hu	1666	1580	0.00
40	Hu	1666	1580	0.00
40	Hu	1666	1580	0.00
40	Hu	1666	1580	0.00
41	Hu	1408	1335	0.00
41	Hu	1408	1335	0.00
41	Hu	1408	1335	0.00
41	Hu	1408	1335	0.00
41	Hu	1408	1335	0.00
42	Hu	1280	1214	0.00
42	Hu	1280	1214	0.00
42	Hu	1280	1214	0.00
42	Hu	1280	1214	0.00
42	Hu	1280	1214	0.00
43	Hu	762	723	0.00
43	Hu	762	723	0.00
43	Hu	762	723	0.00
43	Hu	762	723	0.00
43	Hu	762	723	0.00
44	Hu	693	657	0.00
44	Hu	693	657	0.00
44	Hu	693	657	0.00
44	Hu	693	657	0.00
44	Hu	693	657	0.00
45	Hu	552	524	0.00
45	Hu	552	524	0.00
45	Hu	552	524	0.00
45	Hu	552	524	0.00
45	Hu	552	524	0.00
46	Hu	417	395	0.00
46	Hu	417	395	0.00
46	Hu	417	395	0.00
46	Hu	417	395	0.00
46	Hu	417	395	0.00

Unscaled Zero Point Vibrational Energy (zpe) 84276.6 cm^-1
Scaled (by 0.9485) Zero Point Vibrational Energy (zpe) 79936.3 cm^-1
See section III.C.1 List or set vibrational scaling factors to change the scale factors used here.
See section III.C.2 Calculate a vibrational scaling factor for a given set of molecules to determine the least squares best scaling factor.

Rotational Constants (cm^-1) from geometry optimized at wB97X-D/6-31G*

A	B	C
0.00281	0.00281	0.00281

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

Geometric Data calculated at wB97X-D/6-31G*

Point Group is I_h

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.232	3.311
C2	-1.171	0.381	3.311
C3	-0.724	-0.996	3.311
C4	0.724	-0.996	3.311
C5	1.171	0.381	3.311
C6	2.292	0.745	2.582
C7	3.016	-0.252	1.821
C8	2.588	-1.569	1.821
C9	1.417	-1.950	2.582
C10	0.693	-2.947	1.821
C11	-0.693	-2.947	1.821
C12	-1.417	-1.950	2.582
C13	-2.588	-1.569	1.821
C14	-3.016	-0.252	1.821
C15	-2.292	0.745	2.582
C16	-2.292	1.977	1.821
C17	-3.016	1.741	0.589
C18	-3.464	0.364	0.589
C19	-3.464	-0.364	-0.589
C20	-3.016	-1.741	-0.589
C21	-2.588	-2.331	0.589
C22	-1.417	-3.182	0.589
C23	-0.724	-3.407	-0.589
C24	0.724	-3.407	-0.589
C25	1.417	-3.182	0.589
C26	2.588	-2.331	0.589
C27	3.016	-1.741	-0.589
C28	3.464	-0.364	-0.589
C29	3.464	0.364	0.589
C30	3.016	1.741	0.589
C31	2.588	2.331	-0.589
C32	2.588	1.569	-1.821
C33	3.016	0.252	-1.821
C34	2.292	-0.745	-2.582
C35	2.292	-1.977	-1.821
C36	1.171	-2.791	-1.821
C37	0.000	-2.410	-2.582
C38	-1.171	-2.791	-1.821
C39	-2.292	-1.977	-1.821
C40	-2.292	-0.745	-2.582
C41	-3.016	0.252	-1.821
C42	-2.588	1.569	-1.821
C43	-2.588	2.331	-0.589
C44	-1.417	3.182	-0.589
C45	-0.693	2.947	-1.821
C46	-1.417	1.950	-2.582
C47	-0.724	0.996	-3.311
C48	-1.171	-0.381	-3.311
C49	0.000	-1.232	-3.311
C50	1.171	-0.381	-3.311
C51	0.724	0.996	-3.311
C52	1.417	1.950	-2.582
C53	0.693	2.947	-1.821
C54	1.417	3.182	-0.589
C55	0.724	3.407	0.589
C56	-0.724	3.407	0.589
C57	-1.171	2.791	1.821
C58	0.000	2.410	2.582
C59	1.171	2.791	1.821
C60	2.292	1.977	1.821

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		1.4480	2.3429	2.3429	1.4480	2.4542	3.6767	4.0945	3.5583	4.4897	4.4897	3.5583	4.0945	3.6767	2.4542	2.8336	4.0945	4.4897	5.4549	5.7575	5.1765	5.3752	6.1034	6.1034	5.3752	5.1765	5.7575	5.4549	4.4897	4.0945	4.8081	5.7575	6.0328	6.6250	6.4718	6.6250	6.9277	6.6250	6.4718	6.6250	6.0328	5.7575	4.8081	4.5849	5.4549	6.1034	6.6651	6.9150	7.0649	6.9150	6.6651	6.1034	5.4549	4.5849	3.5583	3.5583	2.4542	1.3856	2.4542	2.8336
C2	1.4480		1.4480	2.3429	2.3429	3.5583	4.4897	4.4897	3.5583	4.0945	3.6767	2.4542	2.8336	2.4542	1.3856	2.4542	3.5583	3.5583	4.5849	4.8081	4.0945	4.4897	5.4549	5.7575	5.1765	5.3752	6.1034	6.1034	5.3752	5.1765	5.7575	6.4718	6.6250	6.9277	6.6250	6.4718	6.6250	6.0328	5.7575	6.1034	5.4549	5.4549	4.5849	4.8081	5.7575	6.1034	6.6651	6.6651	6.9150	7.0649	6.9150	6.6250	6.0328	5.4549	4.4897	4.0945	2.8336	2.4542	3.6767	4.0945
C3	2.3429	1.4480		1.4480	2.3429	3.5583	4.0945	3.6767	2.4542	2.8336	2.4542	1.3856	2.4542	2.8336	2.4542	3.6767	4.4897	4.0945	4.8081	4.5849	3.5583	3.5583	4.5849	4.8081	4.0945	4.4897	5.4549	5.7575	5.1765	5.3752	6.1034	6.6250	6.4718	6.6250	6.0328	5.7575	6.1034	5.4549	5.4549	6.1034	5.7575	6.0328	5.4549	5.7575	6.4718	6.6250	6.9150	6.6651	6.6651	6.9150	7.0649	6.9277	6.6250	6.1034	5.3752	5.1765	4.0945	3.5583	4.4897	4.4897
C4	2.3429	2.3429	1.4480		1.4480	2.4542	2.8336	2.4542	1.3856	2.4542	2.8336	2.4542	3.6767	4.0945	3.5583	4.4897	5.3752	5.1765	5.7575	5.4549	4.4897	4.0945	4.8081	4.5849	3.5583	3.5583	4.5849	4.8081	4.0945	4.4897	5.4549	6.0328	5.7575	6.1034	5.4549	5.4549	6.1034	5.7575	6.0328	6.6250	6.4718	6.6250	6.1034	6.1034	6.6250	6.9277	7.0649	6.9150	6.6651	6.6651	6.9150	6.6250	6.4718	5.7575	5.1765	5.3752	4.4897	3.5583	4.0945	3.6767
C5	1.4480	2.3429	2.3429	1.4480		1.3856	2.4542	2.8336	2.4542	3.6767	4.0945	3.5583	4.4897	4.4897	3.5583	4.0945	5.1765	5.3752	6.1034	6.1034	5.3752	5.1765	5.7575	5.4549	4.4897	4.0945	4.8081	4.5849	3.5583	3.5583	4.5849	5.4549	5.4549	6.1034	5.7575	6.0328	6.6250	6.4718	6.6250	6.9277	6.6250	6.4718	5.7575	5.4549	6.0328	6.6250	6.9150	7.0649	6.9150	6.6651	6.6651	6.1034	5.7575	4.8081	4.0945	4.4897	3.6767	2.4542	2.8336	2.4542
C6	2.4542	3.5583	3.5583	2.4542	1.3856		1.4480	2.4542	2.8336	4.0945	4.8081	4.5849	5.4549	5.4549	4.5849	4.8081	5.7575	6.1034	6.6651	6.6651	6.1034	5.7575	6.0328	5.4549	4.4897	3.6767	4.0945	3.5583	2.3429	2.3429	3.5583	4.4897	4.4897	5.3752	5.1765	5.7575	6.4718	6.6250	6.9150	7.0649	6.9150	6.6250	6.0328	5.4549	5.7575	6.4718	6.6250	6.9277	6.6250	6.1034	6.1034	5.3752	5.1765	4.0945	3.6767	4.4897	4.0945	2.8336	2.4542	1.4480
C7	3.6767	4.4897	4.0945	2.8336	2.4542	1.4480		1.3856	2.4542	3.5583	4.5849	4.8081	5.7575	6.0328	5.4549	5.7575	6.4718	6.6250	6.9150	6.6651	6.1034	5.4549	5.4549	4.5849	3.5583	2.4542	2.8336	2.4542	1.4480	2.3429	3.5583	4.0945	3.6767	4.4897	4.0945	4.8081	5.7575	6.1034	6.6651	6.9150	7.0649	6.9277	6.6250	6.1034	6.1034	6.6250	6.4718	6.6250	6.0328	5.4549	5.7575	5.1765	5.3752	4.4897	4.4897	5.3752	5.1765	4.0945	3.5583	2.3429
C8	4.0945	4.4897	3.6767	2.4542	2.8336	2.4542	1.3856		1.4480	2.3429	3.5583	4.0945	5.1765	5.7575	5.4549	6.0328	6.6250	6.4718	6.6250	6.1034	5.3752	4.4897	4.4897	3.5583	2.3429	1.4480	2.4542	2.8336	2.4542	3.5583	4.5849	4.8081	4.0945	4.4897	3.6767	4.0945	5.1765	5.3752	6.1034	6.6250	6.9277	7.0649	6.9150	6.6651	6.6651	6.9150	6.6250	6.4718	5.7575	5.4549	6.0328	5.7575	6.1034	5.4549	5.4549	6.1034	5.7575	4.8081	4.5848	3.5583
C9	3.5583	3.5583	2.4542	1.3856	2.4542	2.8336	2.4542	1.4480		1.4480	2.4542	2.8336	4.0945	4.8081	4.5849	5.4549	6.1034	5.7575	6.0328	5.4549	4.4897	3.6767	4.0945	3.5583	2.3429	2.3429	3.5583	4.0945	3.6767	4.4897	5.4549	5.7575	5.1765	5.3752	4.4897	4.4897	5.3752	5.1765	5.7575	6.4718	6.6250	6.9150	6.6651	6.6651	6.9150	7.0649	6.9277	6.6250	6.1034	6.1034	6.6250	6.4718	6.6250	6.0328	5.7575	6.1034	5.4549	4.5848	4.8081	4.0945
C10	4.4897	4.0945	2.8336	2.4542	3.6767	4.0945	3.5583	2.3429	1.4480		1.3856	2.4542	3.5583	4.5849	4.8081	5.7575	6.1034	5.4549	5.4549	4.5849	3.5583	2.4542	2.8336	2.4542	1.4480	2.3429	3.5583	4.4897	4.4897	5.3752	6.1034	6.1034	5.3752	5.1765	4.0945	3.6767	4.4897	4.0945	4.8081	5.7575	6.1034	6.6651	6.6651	6.9150	7.0649	6.9150	6.6250	6.0328	5.4549	5.7575	6.4718	6.6250	6.9277	6.6250	6.4718	6.6250	6.0328	5.4549	5.7575	5.1765
C11	4.4897	3.6767	2.4542	2.8336	4.0945	4.8081	4.5849	3.5583	2.4542	1.3856		1.4480	2.3429	3.5583	4.0945	5.1765	5.3752	4.4897	4.4897	3.5583	2.3429	1.4480	2.4542	2.8336	2.4542	3.5583	4.5849	5.4549	5.4549	6.1034	6.6651	6.6651	6.1034	5.7575	4.8081	4.0945	4.4897	3.6767	4.0945	5.1765	5.3752	6.1034	6.1034	6.6250	6.9277	6.6250	6.4718	5.7575	5.4549	6.0328	6.6250	6.9150	7.0649	6.9150	6.6250	6.4718	5.7575	5.4549	6.0328	5.7575
C12	3.5583	2.4542	1.3856	2.4542	3.5583	4.5849	4.8081	4.0945	2.8336	2.4542	1.4480		1.4480	2.4542	2.8336	4.0945	4.4897	3.6767	4.0945	3.5583	2.3429	2.3429	3.5583	4.0945	3.6767	4.4897	5.4549	6.0328	5.7575	6.1034	6.6651	6.9150	6.6250	6.4718	5.7575	5.1765	5.3752	4.4897	4.4897	5.3752	5.1765	5.7575	5.4549	6.0328	6.6250	6.4718	6.6250	6.1034	6.1034	6.6250	6.9277	7.0649	6.9150	6.6651	6.1034	5.7575	4.8081	4.5848	5.4549	5.4549
C13	4.0945	2.8336	2.4542	3.6767	4.4897	5.4549	5.7575	5.1765	4.0945	3.5583	2.3429	1.4480		1.3856	2.4542	3.5583	3.5583	2.4542	2.8336	2.4542	1.4480	2.3429	3.5583	4.4897	4.4897	5.3752	6.1034	6.6250	6.4718	6.6250	6.9150	7.0649	6.9277	6.6250	6.1034	5.3752	5.1765	4.0945	3.6767	4.4897	4.0945	4.8081	4.5849	5.4549	6.1034	5.7575	6.0328	5.4549	5.7575	6.4718	6.6250	6.9150	6.6651	6.6651	6.1034	5.4549	4.5848	4.8081	5.7575	6.0328
C14	3.6767	2.4542	2.8336	4.0945	4.4897	5.4549	6.0328	5.7575	4.8081	4.5849	3.5583	2.4542	1.3856		1.4480	2.3429	2.3429	1.4480	2.4542	2.8336	2.4542	3.5583	4.5849	5.4549	5.4549	6.1034	6.6651	6.9150	6.6250	6.4718	6.6250	6.9277	7.0649	6.9150	6.6651	6.1034	5.7575	4.8081	4.0945	4.4897	3.6767	4.0945	3.5583	4.4897	5.3752	5.1765	5.7575	5.4549	6.0328	6.6250	6.4718	6.6250	6.1034	6.1034	5.3752	4.4897	3.5583	4.0945	5.1765	5.7575
C15	2.4542	1.3856	2.4542	3.5583	3.5583	4.5849	5.4549	5.4549	4.5849	4.8081	4.0945	2.8336	2.4542	1.4480		1.4480	2.3429	2.3429	3.5583	4.0945	3.6767	4.4897	5.4549	6.0328	5.7575	6.1034	6.6651	6.6651	6.1034	5.7575	6.0328	6.6250	6.9150	7.0649	6.9150	6.6250	6.4718	5.7575	5.1765	5.3752	4.4897	4.4897	3.5583	4.0945	5.1765	5.3752	6.1034	6.1034	6.6250	6.9277	6.6250	6.4718	5.7575	5.4549	4.4897	3.6767	2.4542	2.8336	4.0945	4.8081
C16	2.8336	2.4542	3.6767	4.4897	4.0945	4.8081	5.7575	6.0328	5.4549	5.7575	5.1765	4.0945	3.5583	2.3429	1.4480		1.4480	2.3429	3.5583	4.4897	4.4897	5.3752	6.1034	6.6250	6.4718	6.6250	6.9150	6.6651	6.1034	5.4549	5.4549	6.1034	6.6651	6.9150	7.0649	6.9277	6.6250	6.1034	5.3752	5.1765	4.0945	3.6767	2.4542	2.8336	4.0945	4.4897	5.4549	5.7575	6.4718	6.6250	6.0328	5.7575	4.8081	4.5849	3.5583	2.4542	1.3856	2.4542	3.5583	4.5849
C17	4.0945	3.5583	4.4897	5.3752	5.1765	5.7575	6.4718	6.6250	6.1034	6.1034	5.3752	4.4897	3.5583	2.3429	2.3429	1.4480		1.4480	2.4542	3.6767	4.0945	5.1765	5.7575	6.4718	6.6250	6.9277	7.0649	6.9150	6.6250	6.0328	5.7575	6.1034	6.6651	6.6651	6.9150	6.6250	6.0328	5.4549	4.4897	4.0945	2.8336	2.4542	1.3856	2.4542	3.5583	3.5583	4.5849	4.8081	5.7575	6.1034	5.4549	5.4549	4.5849	4.8081	4.0945	2.8336	2.4542	3.6767	4.4897	5.4549
C18	4.4897	3.5583	4.0945	5.1765	5.3752	6.1034	6.6250	6.4718	5.7575	5.4549	4.4897	3.6767	2.4542	1.4480	2.3429	2.3429	1.4480		1.3856	2.4542	2.8336	4.0945	4.8081	5.7575	6.0328	6.6250	6.9150	7.0649	6.9277	6.6250	6.4718	6.6250	6.9150	6.6651	6.6651	6.1034	5.4549	4.5849	3.5583	3.5583	2.4542	2.8336	2.4542	3.6767	4.4897	4.0945	4.8081	4.5849	5.4549	6.1034	5.7575	6.0328	5.4549	5.7575	5.1765	4.0945	3.5583	4.4897	5.3752	6.1034
C19	5.4549	4.5849	4.8081	5.7575	6.1034	6.6651	6.9150	6.6250	6.0328	5.4549	4.4897	4.0945	2.8336	2.4542	3.5583	3.5583	2.4542	1.3856		1.4480	2.4542	3.6767	4.0945	5.1765	5.7575	6.4718	6.6250	6.9277	7.0649	6.9150	6.6250	6.4718	6.6250	6.1034	6.1034	5.3752	4.4897	3.5583	2.3429	2.3429	1.4480	2.4542	2.8336	4.0945	4.4897	3.6767	4.0945	3.5583	4.4897	5.3752	5.1765	5.7575	5.4549	6.0328	5.7575	4.8081	4.5849	5.4549	6.1034	6.6651
C20	5.7575	4.8081	4.5849	5.4549	6.1034	6.6651	6.6651	6.1034	5.4549	4.5849	3.5583	3.5583	2.4542	2.8336	4.0945	4.4897	3.6767	2.4542	1.4480		1.3856	2.4542	2.8336	4.0945	4.8081	5.7575	6.0328	6.6250	6.9150	7.0649	6.9277	6.6250	6.4718	5.7575	5.4549	4.4897	3.6767	2.4542	1.4480	2.3429	2.3429	3.5583	4.0945	5.1765	5.3752	4.4897	4.4897	3.5583	4.0945	5.1765	5.3752	6.1034	6.1034	6.6250	6.4718	5.7575	5.4549	6.0328	6.6250	6.9150
C21	5.1765	4.0945	3.5583	4.4897	5.3752	6.1034	6.1034	5.3752	4.4897	3.5583	2.3429	2.3429	1.4480	2.4542	3.6767	4.4897	4.0945	2.8336	2.4542	1.3856		1.4480	2.4542	3.6767	4.0945	5.1765	5.7575	6.4718	6.6250	6.9277	7.0649	6.9150	6.6250	6.0328	5.4549	4.4897	4.0945	2.8336	2.4542	3.5583	3.5583	4.5849	4.8081	5.7575	6.1034	5.4549	5.4549	4.5849	4.8081	5.7575	6.1034	6.6651	6.6651	6.9150	6.6250	6.0328	5.4549	5.7575	6.4718	6.6250
C22	5.3752	4.4897	3.5583	4.0945	5.1765	5.7575	5.4549	4.4897	3.6767	2.4542	1.4480	2.3429	2.3429	3.5583	4.4897	5.3752	5.1765	4.0945	3.6767	2.4542	1.4480		1.3856	2.4542	2.8336	4.0945	4.8081	5.7575	6.0328	6.6250	6.9150	6.6651	6.1034	5.4549	4.5849	3.5583	3.5583	2.4542	2.8336	4.0945	4.4897	5.4549	5.7575	6.4718	6.6250	6.0328	5.7575	4.8081	4.5849	5.4549	6.1034	6.6651	6.9150	7.0649	6.9277	6.6250	6.1034	6.1034	6.6250	6.4718
C23	6.1034	5.4549	4.5849	4.8081	5.7575	6.0328	5.4549	4.4897	4.0945	2.8336	2.4542	3.5583	3.5583	4.5849	5.4549	6.1034	5.7575	4.8081	4.0945	2.8336	2.4542	1.3856		1.4480	2.4542	3.6767	4.0945	5.1765	5.7575	6.4718	6.6250	6.1034	5.3752	4.4897	3.5583	2.3429	2.3429	1.4480	2.4542	3.6767	4.4897	5.4549	6.0328	6.6250	6.4718	5.7575	5.1765	4.0945	3.5583	4.4897	5.3752	6.1034	6.6250	6.9277	7.0649	6.9150	6.6651	6.6651	6.9150	6.6250
C24	6.1034	5.7575	4.8081	4.5849	5.4549	5.4549	4.5849	3.5583	3.5583	2.4542	2.8336	4.0945	4.4897	5.4549	6.0328	6.6250	6.4718	5.7575	5.1765	4.0945	3.6767	2.4542	1.4480		1.3856	2.4542	2.8336	4.0945	4.8081	5.7575	6.0328	5.4549	4.4897	3.6767	2.4542	1.4480	2.3429	2.3429	3.5583	4.4897	5.3752	6.1034	6.6250	6.9277	6.6250	6.1034	5.3752	4.4897	3.5583	4.0945	5.1765	5.7575	6.4718	6.6250	6.9150	7.0649	6.9150	6.6651	6.6651	6.1034
C25	5.3752	5.1765	4.0945	3.5583	4.4897	4.4897	3.5583	2.3429	2.3429	1.4480	2.4542	3.6767	4.4897	5.4549	5.7575	6.4718	6.6250	6.0328	5.7575	4.8081	4.0945	2.8336	2.4542	1.3856		1.4480	2.4542	3.6767	4.0945	5.1765	5.7575	5.4549	4.4897	4.0945	2.8336	2.4542	3.5583	3.5583	4.5849	5.4549	6.1034	6.6651	6.9150	7.0649	6.9150	6.6651	6.1034	5.4549	4.5849	4.8081	5.7575	6.0328	6.6250	6.4718	6.6250	6.9277	6.6250	6.1034	6.1034	5.3752
C26	5.1765	5.3752	4.4897	3.5583	4.0945	3.6767	2.4542	1.4480	2.3429	2.3429	3.5583	4.4897	5.3752	6.1034	6.1034	6.6250	6.9277	6.6250	6.4718	5.7575	5.1765	4.0945	3.6767	2.4542	1.4480		1.3856	2.4542	2.8336	4.0945	4.8081	4.5849	3.5583	3.5583	2.4542	2.8336	4.0945	4.4897	5.4549	6.0328	6.6250	6.9150	7.0649	6.9150	6.6651	6.6651	6.1034	5.7575	4.8081	4.5849	5.4549	5.4549	6.1034	5.7575	6.0328	6.6250	6.4718	5.7575	5.4549	4.4897
C27	5.7575	6.1034	5.4549	4.5849	4.8081	4.0945	2.8336	2.4542	3.5583	3.5583	4.5849	5.4549	6.1034	6.6651	6.6651	6.9150	7.0649	6.9150	6.6250	6.0328	5.7575	4.8081	4.0945	2.8336	2.4542	1.3856		1.4480	2.4542	3.6767	4.0945	3.5583	2.3429	2.3429	1.4480	2.4542	3.6767	4.4897	5.4549	5.7575	6.4718	6.6250	6.9277	6.6250	6.1034	6.1034	5.3752	5.1765	4.0945	3.5583	4.4897	4.4897	5.3752	5.1765	5.7575	6.4718	6.6250	6.0328	5.4549	4.4897
C28	5.4549	6.1034	5.7575	4.8081	4.5849	3.5583	2.4542	2.8336	4.0945	4.4897	5.4549	6.0328	6.6250	6.9150	6.6651	6.6651	6.9150	7.0649	6.9277	6.6250	6.4718	5.7575	5.1765	4.0945	3.6767	2.4542	1.4480		1.3856	2.4542	2.8336	2.4542	1.4480	2.3429	2.3429	3.5583	4.4897	5.3752	6.1034	6.1034	6.6250	6.4718	6.6250	6.0328	5.4549	5.7575	5.1765	5.3752	4.4897	3.5583	4.0945	3.6767	4.4897	4.0945	4.8081	5.7575	6.1034	5.4549	4.5849	3.5583
C29	4.4897	5.3752	5.1765	4.0945	3.5583	2.3429	1.4480	2.4542	3.6767	4.4897	5.4549	5.7575	6.4718	6.6250	6.1034	6.1034	6.6250	6.9277	7.0649	6.9150	6.6250	6.0328	5.7575	4.8081	4.0945	2.8336	2.4542	1.3856		1.4480	2.4542	2.8336	2.4542	3.5583	3.5583	4.5849	5.4549	6.1034	6.6651	6.6651	6.9150	6.6250	6.4718	5.7575	5.4549	6.0328	5.7575	6.1034	5.4549	4.5849	4.8081	4.0945	4.4897	3.6767	4.0945	5.1765	5.3752	4.4897	3.5583	2.3429
C30	4.0945	5.1765	5.3752	4.4897	3.5583	2.3429	2.3429	3.5583	4.4897	5.3752	6.1034	6.1034	6.6250	6.4718	5.7575	5.4549	6.0328	6.6250	6.9150	7.0649	6.9277	6.6250	6.4718	5.7575	5.1765	4.0945	3.6767	2.4542	1.4480		1.3856	2.4542	2.8336	4.0945	4.4897	5.4549	6.0328	6.6250	6.9150	6.6651	6.6651	6.1034	5.7575	4.8081	4.5849	5.4549	5.4549	6.1034	5.7575	4.8081	4.5849	3.5583	3.5583	2.4542	2.8336	4.0945	4.4897	3.6767	2.4542	1.4480
C31	4.8081	5.7575	6.1034	5.4549	4.5849	3.5583	3.5583	4.5849	5.4549	6.1034	6.6651	6.6651	6.9150	6.6250	6.0328	5.4549	5.7575	6.4718	6.6250	6.9277	7.0649	6.9150	6.6250	6.0328	5.7575	4.8081	4.0945	2.8336	2.4542	1.3856		1.4480	2.4542	3.6767	4.4897	5.4549	5.7575	6.4718	6.6250	6.1034	6.1034	5.3752	5.1765	4.0945	3.5583	4.4897	4.4897	5.3752	5.1765	4.0945	3.5583	2.3429	2.3429	1.4480	2.4542	3.6767	4.4897	4.0945	2.8336	2.4542
C32	5.7575	6.4718	6.6250	6.0328	5.4549	4.4897	4.0945	4.8081	5.7575	6.1034	6.6651	6.9150	7.0649	6.9277	6.6250	6.1034	6.1034	6.6250	6.4718	6.6250	6.9150	6.6651	6.1034	5.4549	5.4549	4.5849	3.5583	2.4542	2.8336	2.4542	1.4480		1.3856	2.4542	3.5583	4.5848	4.8081	5.7575	6.0328	5.4549	5.7575	5.1765	5.3752	4.4897	3.5583	4.0945	3.6767	4.4897	4.0945	2.8336	2.4542	1.4480	2.3429	2.3429	3.5583	4.4897	5.3752	5.1765	4.0945	3.6767
C33	6.0328	6.6250	6.4718	5.7575	5.4549	4.4897	3.6767	4.0945	5.1765	5.3752	6.1034	6.6250	6.9277	7.0649	6.9150	6.6651	6.6651	6.9150	6.6250	6.4718	6.6250	6.1034	5.3752	4.4897	4.4897	3.5583	2.3429	1.4480	2.4542	2.8336	2.4542	1.3856		1.4480	2.3429	3.5583	4.0945	5.1765	5.7575	5.4549	6.0328	5.7575	6.1034	5.4549	4.5849	4.8081	4.0945	4.4897	3.6767	2.4542	2.8336	2.4542	3.5583	3.5583	4.5849	5.4549	6.1034	5.7575	4.8081	4.0945
C34	6.6250	6.9277	6.6250	6.1034	6.1034	5.3752	4.4897	4.4897	5.3752	5.1765	5.7575	6.4718	6.6250	6.9150	7.0649	6.9150	6.6651	6.6651	6.1034	5.7575	6.0328	5.4549	4.4897	3.6767	4.0945	3.5583	2.3429	2.3429	3.5583	4.0945	3.6767	2.4542	1.4480		1.4480	2.4542	2.8336	4.0945	4.8081	4.5849	5.4549	5.4549	6.1034	5.7575	4.8081	4.5849	3.5583	3.5583	2.4542	1.3856	2.4542	2.8336	4.0945	4.4897	5.4549	6.0328	6.6250	6.4718	5.7575	5.1765
C35	6.4718	6.6250	6.0328	5.4549	5.7575	5.1765	4.0945	3.6767	4.4897	4.0945	4.8081	5.7575	6.1034	6.6651	6.9150	7.0649	6.9150	6.6651	6.1034	5.4549	5.4549	4.5849	3.5583	2.4542	2.8336	2.4542	1.4480	2.3429	3.5583	4.4897	4.4897	3.5583	2.3429	1.4480		1.3856	2.4542	3.5583	4.5849	4.8081	5.7575	6.0328	6.6250	6.4718	5.7575	5.4549	4.4897	4.0945	2.8336	2.4542	3.6767	4.0945	5.1765	5.3752	6.1034	6.6250	6.9277	6.6250	6.1034	5.3752
C36	6.6250	6.4718	5.7575	5.4549	6.0328	5.7575	4.8081	4.0945	4.4897	3.6767	4.0945	5.1765	5.3752	6.1034	6.6250	6.9277	6.6250	6.1034	5.3752	4.4897	4.4897	3.5583	2.3429	1.4480	2.4542	2.8336	2.4542	3.5583	4.5849	5.4549	5.4549	4.5848	3.5583	2.4542	1.3856		1.4480	2.3429	3.5583	4.0945	5.1765	5.7575	6.4718	6.6250	6.0328	5.4549	4.4897	3.6767	2.4542	2.8336	4.0945	4.8081	5.7575	6.1034	6.6651	6.9150	7.0649	6.9149	6.6651	6.1034
C37	6.9277	6.6250	6.1034	6.1034	6.6250	6.4718	5.7575	5.1765	5.3752	4.4897	4.4897	5.3752	5.1765	5.7575	6.4718	6.6250	6.0328	5.4549	4.4897	3.6767	4.0945	3.5583	2.3429	2.3429	3.5583	4.0945	3.6767	4.4897	5.4549	6.0328	5.7575	4.8081	4.0945	2.8336	2.4542	1.4480		1.4480	2.4542	2.8336	4.0945	4.8081	5.7575	6.1034	5.4549	4.5848	3.5583	2.4542	1.3856	2.4542	3.5583	4.5848	5.4549	6.1034	6.6651	6.6651	6.9149	7.0649	6.9149	6.6250
C38	6.6250	6.0328	5.4549	5.7575	6.4718	6.6250	6.1034	5.3752	5.1765	4.0945	3.6767	4.4897	4.0945	4.8081	5.7575	6.1034	5.4549	4.5849	3.5583	2.4542	2.8336	2.4542	1.4480	2.3429	3.5583	4.4897	4.4897	5.3752	6.1034	6.6250	6.4718	5.7575	5.1765	4.0945	3.5583	2.3429	1.4480		1.3856	2.4542	3.5583	4.5848	5.4549	6.1034	5.7575	4.8081	4.0945	2.8336	2.4542	3.6767	4.4897	5.4549	6.0328	6.6250	6.9150	6.6651	6.6651	6.9149	7.0649	6.9277
C39	6.4718	5.7575	5.4549	6.0328	6.6250	6.9150	6.6651	6.1034	5.7575	4.8081	4.0945	4.4897	3.6767	4.0945	5.1765	5.3752	4.4897	3.5583	2.3429	1.4480	2.4542	2.8336	2.4542	3.5583	4.5849	5.4549	5.4549	6.1034	6.6651	6.9150	6.6250	6.0328	5.7575	4.8081	4.5849	3.5583	2.4542	1.3856		1.4480	2.3429	3.5583	4.4897	5.3752	5.1765	4.0945	3.6767	2.4542	2.8336	4.0945	4.4897	5.4549	5.7575	6.4718	6.6250	6.1034	6.1034	6.6250	6.9277	7.0649
C40	6.6250	6.1034	6.1034	6.6250	6.9277	7.0649	6.9150	6.6250	6.4718	5.7575	5.1765	5.3752	4.4897	4.4897	5.3752	5.1765	4.0945	3.5583	2.3429	2.3429	3.5583	4.0945	3.6767	4.4897	5.4549	6.0328	5.7575	6.1034	6.6651	6.6651	6.1034	5.4549	5.4549	4.5849	4.8081	4.0945	2.8336	2.4542	1.4480		1.4480	2.4542	3.6767	4.4897	4.0945	2.8336	2.4542	1.3856	2.4542	3.5583	3.5583	4.5849	4.8081	5.7575	6.0328	5.4549	5.7575	6.4718	6.6250	6.9150
C41	6.0328	5.4549	5.7575	6.4718	6.6250	6.9150	7.0649	6.9277	6.6250	6.1034	5.3752	5.1765	4.0945	3.6767	4.4897	4.0945	2.8336	2.4542	1.4480	2.3429	3.5583	4.4897	4.4897	5.3752	6.1034	6.6250	6.4718	6.6250	6.9150	6.6651	6.1034	5.7575	6.0328	5.4549	5.7575	5.1765	4.0945	3.5583	2.3429	1.4480		1.3856	2.4542	3.5583	3.5583	2.4542	2.8336	2.4542	3.6767	4.4897	4.0945	4.8081	4.5849	5.4549	5.4549	4.5849	4.8081	5.7575	6.1034	6.6651
C42	5.7575	5.4549	6.0328	6.6250	6.4718	6.6250	6.9277	7.0649	6.9150	6.6651	6.1034	5.7575	4.8081	4.0945	4.4897	3.6767	2.4542	2.8336	2.4542	3.5583	4.5849	5.4549	5.4549	6.1034	6.6651	6.9150	6.6250	6.4718	6.6250	6.1034	5.3752	5.1765	5.7575	5.4549	6.0328	5.7575	4.8081	4.5848	3.5583	2.4542	1.3856		1.4480	2.3429	2.3429	1.4480	2.4542	2.8336	4.0945	4.4897	3.6767	4.0945	3.5583	4.4897	4.4897	3.5583	4.0945	5.1765	5.3752	6.1034
C43	4.8081	4.5849	5.4549	6.1034	5.7575	6.0328	6.6250	6.9150	6.6651	6.6651	6.1034	5.4549	4.5849	3.5583	3.5583	2.4542	1.3856	2.4542	2.8336	4.0945	4.8081	5.7575	6.0328	6.6250	6.9150	7.0649	6.9277	6.6250	6.4718	5.7575	5.1765	5.3752	6.1034	6.1034	6.6250	6.4718	5.7575	5.4549	4.4897	3.6767	2.4542	1.4480		1.4480	2.3429	2.3429	3.5583	4.0945	5.1765	5.3752	4.4897	4.4897	3.5583	4.0945	3.6767	2.4542	2.8336	4.0945	4.4897	5.4549
C44	4.5849	4.8081	5.7575	6.1034	5.4549	5.4549	6.1034	6.6651	6.6651	6.9150	6.6250	6.0328	5.4549	4.4897	4.0945	2.8336	2.4542	3.6767	4.0945	5.1765	5.7575	6.4718	6.6250	6.9277	7.0649	6.9150	6.6250	6.0328	5.7575	4.8081	4.0945	4.4897	5.4549	5.7575	6.4718	6.6250	6.1034	6.1034	5.3752	4.4897	3.5583	2.3429	1.4480		1.4480	2.3429	3.5583	4.4897	5.3752	5.1765	4.0945	3.6767	2.4542	2.8336	2.4542	1.3856	2.4542	3.5583	3.5583	4.5849
C45	5.4549	5.7575	6.4718	6.6250	6.0328	5.7575	6.1034	6.6651	6.9150	7.0649	6.9277	6.6250	6.1034	5.3752	5.1765	4.0945	3.5583	4.4897	4.4897	5.3752	6.1034	6.6250	6.4718	6.6250	6.9150	6.6651	6.1034	5.4549	5.4549	4.5849	3.5583	3.5583	4.5849	4.8081	5.7575	6.0328	5.4549	5.7575	5.1765	4.0945	3.5583	2.3429	2.3429	1.4480		1.4480	2.4542	3.6767	4.4897	4.0945	2.8336	2.4542	1.3856	2.4542	2.8336	2.4542	3.6767	4.4897	4.0945	4.8081
C46	6.1034	6.1034	6.6250	6.9277	6.6250	6.4718	6.6250	6.9150	7.0649	6.9150	6.6250	6.4718	5.7575	5.1765	5.3752	4.4897	3.5583	4.0945	3.6767	4.4897	5.4549	6.0328	5.7575	6.1034	6.6651	6.6651	6.1034	5.7575	6.0328	5.4549	4.4897	4.0945	4.8081	4.5849	5.4549	5.4549	4.5848	4.8081	4.0945	2.8336	2.4542	1.4480	2.3429	2.3429	1.4480		1.3856	2.4542	3.5583	3.5583	2.4542	2.8336	2.4542	3.6767	4.0945	3.5583	4.4897	5.3752	5.1765	5.7575
C47	6.6651	6.6651	6.9150	7.0649	6.9150	6.6250	6.4718	6.6250	6.9277	6.6250	6.4718	6.6250	6.0328	5.7575	6.1034	5.4549	4.5849	4.8081	4.0945	4.4897	5.4549	5.7575	5.1765	5.3752	6.1034	6.1034	5.3752	5.1765	5.7575	5.4549	4.4897	3.6767	4.0945	3.5583	4.4897	4.4897	3.5583	4.0945	3.6767	2.4542	2.8336	2.4542	3.5583	3.5583	2.4542	1.3856		1.4480	2.3429	2.3429	1.4480	2.4542	2.8336	4.0945	4.8081	4.5849	5.4549	6.1034	5.7575	6.0328
C48	6.9150	6.6651	6.6651	6.9150	7.0649	6.9277	6.6250	6.4718	6.6250	6.0328	5.7575	6.1034	5.4549	5.4549	6.1034	5.7575	4.8081	4.5849	3.5583	3.5583	4.5849	4.8081	4.0945	4.4897	5.4549	5.7575	5.1765	5.3752	6.1034	6.1034	5.3752	4.4897	4.4897	3.5583	4.0945	3.6767	2.4542	2.8336	2.4542	1.3856	2.4542	2.8336	4.0945	4.4897	3.6767	2.4542	1.4480		1.4480	2.3429	2.3429	3.5583	4.0945	5.1765	5.7575	5.4549	6.0328	6.6250	6.4718	6.6250
C49	7.0649	6.9150	6.6651	6.6651	6.9150	6.6250	6.0328	5.7575	6.1034	5.4549	5.4549	6.1034	5.7575	6.0328	6.6250	6.4718	5.7575	5.4549	4.4897	4.0945	4.8081	4.5849	3.5583	3.5583	4.5849	4.8081	4.0945	4.4897	5.4549	5.7575	5.1765	4.0945	3.6767	2.4542	2.8336	2.4542	1.3856	2.4542	2.8336	2.4542	3.6767	4.0945	5.1765	5.3752	4.4897	3.5583	2.3429	1.4480		1.4480	2.3429	3.5583	4.4897	5.3752	6.1034	6.1034	6.6250	6.9277	6.6250	6.4718
C50	6.9150	7.0649	6.9150	6.6651	6.6651	6.1034	5.4549	5.4549	6.1034	5.7575	6.0328	6.6250	6.4718	6.6250	6.9277	6.6250	6.1034	6.1034	5.3752	5.1765	5.7575	5.4549	4.4897	4.0945	4.8081	4.5849	3.5583	3.5583	4.5849	4.8081	4.0945	2.8336	2.4542	1.3856	2.4542	2.8336	2.4542	3.6767	4.0945	3.5583	4.4897	4.4897	5.3752	5.1765	4.0945	3.5583	2.3429	2.3429	1.4480		1.4480	2.4542	3.6767	4.4897	5.4549	5.7575	6.4718	6.6250	6.0328	5.7575
C51	6.6651	6.9150	7.0649	6.9150	6.6651	6.1034	5.7575	6.0328	6.6250	6.4718	6.6250	6.9277	6.6250	6.4718	6.6250	6.0328	5.4549	5.7575	5.1765	5.3752	6.1034	6.1034	5.3752	5.1765	5.7575	5.4549	4.4897	4.0945	4.8081	4.5849	3.5583	2.4542	2.8336	2.4542	3.6767	4.0945	3.5583	4.4897	4.4897	3.5583	4.0945	3.6767	4.4897	4.0945	2.8336	2.4542	1.4480	2.3429	2.3429	1.4480		1.3856	2.4542	3.5583	4.5849	4.8081	5.7575	6.1034	5.4549	5.4549
C52	6.1034	6.6250	6.9277	6.6250	6.1034	5.3752	5.1765	5.7575	6.4718	6.6250	6.9150	7.0649	6.9150	6.6250	6.4718	5.7575	5.4549	6.0328	5.7575	6.1034	6.6651	6.6651	6.1034	5.7575	6.0328	5.4549	4.4897	3.6767	4.0945	3.5583	2.3429	1.4480	2.4542	2.8336	4.0945	4.8081	4.5848	5.4549	5.4549	4.5849	4.8081	4.0945	4.4897	3.6767	2.4542	2.8336	2.4542	3.5583	3.5583	2.4542	1.3856		1.4480	2.3429	3.5583	4.0945	5.1765	5.3752	4.4897	4.4897
C53	5.4549	6.0328	6.6250	6.4718	5.7575	5.1765	5.3752	6.1034	6.6250	6.9277	7.0649	6.9150	6.6651	6.1034	5.7575	4.8081	4.5849	5.4549	5.4549	6.1034	6.6651	6.9150	6.6250	6.4718	6.6250	6.1034	5.3752	4.4897	4.4897	3.5583	2.3429	2.3429	3.5583	4.0945	5.1765	5.7575	5.4549	6.0328	5.7575	4.8081	4.5849	3.5583	3.5583	2.4542	1.3856	2.4542	2.8336	4.0945	4.4897	3.6767	2.4542	1.4480		1.4480	2.4542	2.8336	4.0945	4.4897	3.6767	4.0945
C54	4.5849	5.4549	6.1034	5.7575	4.8081	4.0945	4.4897	5.4549	6.0328	6.6250	6.9150	6.6651	6.6651	6.1034	5.4549	4.5849	4.8081	5.7575	6.0328	6.6250	6.9150	7.0649	6.9277	6.6250	6.4718	5.7575	5.1765	4.0945	3.6767	2.4542	1.4480	2.3429	3.5583	4.4897	5.3752	6.1034	6.1034	6.6250	6.4718	5.7575	5.4549	4.4897	4.0945	2.8336	2.4542	3.6767	4.0945	5.1765	5.3752	4.4897	3.5583	2.3429	1.4480		1.3856	2.4542	3.5583	3.5583	2.4542	2.8336
C55	3.5583	4.4897	5.3752	5.1765	4.0945	3.6767	4.4897	5.4549	5.7575	6.4718	6.6250	6.1034	6.1034	5.3752	4.4897	3.5583	4.0945	5.1765	5.7575	6.4718	6.6250	6.9277	7.0649	6.9150	6.6250	6.0328	5.7575	4.8081	4.0945	2.8336	2.4542	3.5583	4.5849	5.4549	6.1034	6.6651	6.6651	6.9150	6.6250	6.0328	5.4549	4.4897	3.6767	2.4542	2.8336	4.0945	4.8081	5.7575	6.1034	5.4549	4.5849	3.5583	2.4542	1.3856		1.4480	2.3429	2.3429	1.4480	2.4542
C56	3.5583	4.0945	5.1765	5.3752	4.4897	4.4897	5.3752	6.1034	6.1034	6.6250	6.4718	5.7575	5.4549	4.4897	3.6767	2.4542	2.8336	4.0945	4.8081	5.7575	6.0328	6.6250	6.9150	7.0649	6.9277	6.6250	6.4718	5.7575	5.1765	4.0945	3.6767	4.4897	5.4549	6.0328	6.6250	6.9150	6.6651	6.6651	6.1034	5.4549	4.5849	3.5583	2.4542	1.3856	2.4542	3.5583	4.5849	5.4549	6.1034	5.7575	4.8081	4.0945	2.8336	2.4542	1.4480		1.4480	2.3429	2.3429	3.5583
C57	2.4542	2.8336	4.0945	4.4897	3.6767	4.0945	5.1765	5.7575	5.4549	6.0328	5.7575	4.8081	4.5848	3.5583	2.4542	1.3856	2.4542	3.5583	4.5849	5.4549	5.4549	6.1034	6.6651	6.9150	6.6250	6.4718	6.6250	6.1034	5.3752	4.4897	4.4897	5.3752	6.1034	6.6250	6.9277	7.0649	6.9149	6.6651	6.1034	5.7575	4.8081	4.0945	2.8336	2.4542	3.6767	4.4897	5.4549	6.0328	6.6250	6.4718	5.7575	5.1765	4.0945	3.5583	2.3429	1.4480		1.4480	2.3429	3.5583
C58	1.3856	2.4542	3.5583	3.5583	2.4542	2.8336	4.0945	4.8081	4.5848	5.4549	5.4549	4.5848	4.8081	4.0945	2.8336	2.4542	3.6767	4.4897	5.4549	6.0328	5.7575	6.1034	6.6651	6.6651	6.1034	5.7575	6.0328	5.4549	4.4897	3.6767	4.0945	5.1765	5.7575	6.4718	6.6250	6.9149	7.0649	6.9149	6.6250	6.4718	5.7575	5.1765	4.0945	3.5583	4.4897	5.3752	6.1034	6.6250	6.9277	6.6250	6.1034	5.3752	4.4897	3.5583	2.3429	2.3429	1.4480		1.4480	2.4542
C59	2.4542	3.6767	4.4897	4.0945	2.8336	2.4542	3.5583	4.5848	4.8081	5.7575	6.0328	5.4549	5.7575	5.1765	4.0945	3.5583	4.4897	5.3752	6.1034	6.6250	6.4718	6.6250	6.9150	6.6651	6.1034	5.4549	5.4549	4.5849	3.5583	2.4542	2.8336	4.0945	4.8081	5.7575	6.1034	6.6651	6.9149	7.0649	6.9277	6.6250	6.1034	5.3752	4.4897	3.5583	4.0945	5.1765	5.7575	6.4718	6.6250	6.0328	5.4549	4.4897	3.6767	2.4542	1.4480	2.3429	2.3429	1.4480		1.3856
C60	2.8336	4.0945	4.4897	3.6767	2.4542	1.4480	2.3429	3.5583	4.0945	5.1765	5.7575	5.4549	6.0328	5.7575	4.8081	4.5849	5.4549	6.1034	6.6651	6.9150	6.6250	6.4718	6.6250	6.1034	5.3752	4.4897	4.4897	3.5583	2.3429	1.4480	2.4542	3.6767	4.0945	5.1765	5.3752	6.1034	6.6250	6.9277	7.0649	6.9150	6.6651	6.1034	5.4549	4.5849	4.8081	5.7575	6.0328	6.6250	6.4718	5.7575	5.4549	4.4897	4.0945	2.8336	2.4542	3.5583	3.5583	2.4542	1.3856

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 wB97X-D/6-31G* Charges (e)

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

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

	x	y	z	Total
	0.000	0.000	0.000	0.000
CHELPG
AIM
ESP

Electric Quadrupole moment
Quadrupole components in D Å

Primitive   x y z x -324.654 0.000 0.000 y 0.000 -324.654 0.000 z 0.000 0.000 -324.654

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	67.302	0.000	0.000
y	0.000	67.302	0.001
z	0.000	0.001	67.300

<r²> (average value of r²) Ų

<r2>	4702.350
(<r2>)1/2	68.574