CCCBDB calculation results Page

State	Conformation	minimum conformation	conformer description	state description
1	1	yes	IH	¹A_G

	hartrees
Energy at 0K	-2276.466746
Energy at 298.15K	-2276.461687
HF Energy	-2270.911434
Nuclear repulsion energy	8225.380225

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	?_a	611	581	0.00
2	?_a	611	581	0.00
3	?_a	611	581	0.00
4	?_a	611	581	0.00
4	?_a	611	581	0.00
4	?_a	592	562	0.00
5	?_a	592	562	0.00
5	?_a	592	562	0.00
5	?_a	592	562	0.00
6	?_a	568	540	6.66
6	?_a	568	540	6.65
6	?_a	568	540	6.65
7	?_a	564	536	0.00
7	?_a	564	536	0.00
7	?_a	564	536	0.00
8	?_a	564	536	0.00
8	?_a	564	536	0.00
8	?_a	564	536	0.00
9	?_a	564	536	0.00
9	?_a	531	504	0.00
9	?_a	531	504	0.00
10	?_a	531	504	0.00
10	?_a	517	492	23.70
10	?_a	517	492	23.70
11	?_a	517	492	23.70
11	?_a	515	489	0.00
11	?_a	515	489	0.00
12	?_a	515	489	0.00
12	?_a	515	489	0.00
12	?_a	515	489	0.00
13	?_a	476	452	0.00
13	?_a	476	452	0.00
13	?_a	476	452	0.00
14	?_a	476	452	0.00
14	?_a	434	412	0.00
14	?_a	434	412	0.00
15	?_a	434	412	0.00
15	?_a	434	412	0.00
15	?_a	433	412	0.00
16	?_a	357	340	0.00
16	?_a	357	340	0.00
16	?_a	357	340	0.00
17	?_a	357	340	0.00
17	?_a	345	328	0.00
17	?_a	345	328	0.00
18	?_a	345	328	0.00
18	?_a	311	295	0.00
81	?_a	311	295	0.00
19	?_a	311	295	0.00
19	?_a	310	295	0.00
19	?_a	310	295	0.00
20	?_a	310	295	0.00
20	?_a	310	294	0.00
20	?_a	266	252	0.00
20	?_a	266	252	0.00
21	?_a	266	252	0.00
21	?_a	266	252	0.00
21	?_a	266	252	0.00
21	?_b	678	645	0.00
22	?_b	678	645	0.00
22	?_b	678	645	0.00
22	?_b	678	645	0.00
22	?_b	678	645	0.00
23	?_b	672	639	0.00
23	?_b	672	639	0.00
23	?_b	672	639	0.00
23	?_b	661	628	0.00
24	?_b	661	628	0.00
24	?_b	661	628	0.00
24	?_b	661	628	0.00
24	?_b	661	628	0.00
25	?_c	765	727	0.00
25	?_c	765	727	0.00
25	?_c	765	727	0.00
25	?_c	765	727	0.00
26	?_c	765	727	0.00
26	?_c	760	722	0.00
26	?_c	760	722	0.00
26	?_c	760	722	0.00
27	?_c	760	722	0.00
27	?_d	977	928	0.00
27	?_d	977	928	0.00
27	?_d	977	928	0.00
28	?_d	962	914	0.00
28	?_d	962	914	0.00
28	?_d	962	914	0.00
28	?_d	962	914	0.00
29	?_e	1246	1184	0.00
29	?_e	1246	1184	0.00
29	?_e	1246	1184	0.00
29	?_e	1246	1184	0.00
30	?_e	1246	1184	0.00
30	?_e	1215	1154	0.00
30	?_e	1215	1154	0.00
30	?_e	1215	1154	0.00
31	?_e	1204	1144	0.00
31	?_e	1204	1144	0.00
31	?_e	1204	1144	0.00
31	?_e	1204	1144	0.00
32	?_e	1204	1144	0.00
32	?_f	1463	1390	13.62
32	?_f	1463	1390	13.62
32	?_f	1463	1390	13.64
32	?_f	1448	1375	0.00
33	?_f	1448	1375	0.00
33	?_f	1448	1375	0.00
33	?_f	1448	1375	0.00
33	?_f	1448	1375	0.00
33	?_f	1447	1374	0.00
34	?_f	1447	1374	0.00
34	?_f	1447	1374	0.00
34	?_f	1447	1374	0.00
34	?_f	1343	1276	0.00
34	?_f	1343	1276	0.00
35	?_f	1343	1276	0.00
35	?_f	1333	1267	0.00
35	?_f	1333	1267	0.00
35	?_f	1333	1267	0.00
35	?_f	1333	1267	0.00
36	?_f	1333	1267	0.00
36	?_f	1322	1256	0.00
36	?_f	1322	1256	0.00
36	?_f	1322	1256	0.00
36	?_f	1322	1256	0.00
37	?_f	1321	1255	0.00
37	?_f	1321	1255	0.00
37	?_f	1321	1255	0.00
37	?_f	1321	1255	0.00
37	A_g	482	458	0.00
38	A_u	919	873	0.00
38	T_1g	1261	1198	0.00
38	T_1g	1261	1198	0.00
38	T_1g	1261	1198	0.00
38	T_1g	811	770	0.00
39	T_1g	811	770	0.00
39	T_1g	811	770	0.00
39	T_1u	1177	1118	10.92
39	T_1u	1177	1118	10.92
39	T_1u	1177	1118	10.93
40	T_2g	802	762	0.00
40	T_2g	802	762	0.00
40	T_2g	802	762	0.00
40	T_2u	1527	1450	0.00
40	T_2u	1527	1450	0.00
41	T_2u	1527	1450	0.00
41	G_g	1111	1055	0.00
41	G_g	1111	1055	0.00
41	G_g	1111	1055	0.00
41	G_g	1111	1055	0.00
42	H_g	1559	1481	0.00
42	H_g	1559	1481	0.00
42	H_g	1559	1481	0.00
42	H_g	1559	1481	0.00
42	H_g	1559	1481	0.00
43	H_g	1498	1423	0.00
43	H_g	1498	1423	0.00
43	H_g	1498	1423	0.00
43	H_g	1498	1423	0.00
43	H_g	1497	1422	0.00
44	H_g	1095	1041	0.00
44	H_g	1095	1041	0.00
44	H_g	1095	1041	0.00
44	H_g	1095	1041	0.00
44	H_g	1095	1041	0.00
45	H_u	1550	1472	0.00
45	H_u	1550	1472	0.00
45	H_u	1550	1472	0.00
45	H_u	1550	1472	0.00
45	H_u	1550	1472	0.00
46	H_u	411	390	0.00
46	H_u	411	390	0.00
46	H_u	411	390	0.00
46	H_u	411	390	0.00
46	H_u	411	390	0.00

A	B	C
0.00272	0.00272	0.00272

Geometric Data calculated at MP2=FULL/6-31G

Point Group is I_h

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.249	3.370
C2	-1.188	0.386	3.370
C3	-0.734	-1.011	3.370
C4	0.734	-1.011	3.370
C5	1.188	0.386	3.370
C6	2.335	0.759	2.624
C7	3.069	-0.252	1.852
C8	2.631	-1.600	1.852
C9	1.443	-1.986	2.624
C10	0.709	-2.997	1.852
C11	-0.709	-2.997	1.852
C12	-1.443	-1.986	2.624
C13	-2.631	-1.600	1.852
C14	-3.069	-0.252	1.852
C15	-2.335	0.759	2.624
C16	-2.335	2.008	1.852
C17	-3.069	1.769	0.603
C18	-3.523	0.373	0.603
C19	-3.523	-0.373	-0.603
C20	-3.069	-1.769	-0.603
C21	-2.631	-2.372	0.603
C22	-1.443	-3.236	0.603
C23	-0.734	-3.466	-0.603
C24	0.734	-3.466	-0.603
C25	1.443	-3.236	0.603
C26	2.631	-2.372	0.603
C27	3.069	-1.769	-0.603
C28	3.523	-0.373	-0.603
C29	3.523	0.373	0.603
C30	3.069	1.769	0.603
C31	2.631	2.372	-0.603
C32	2.631	1.600	-1.852
C33	3.069	0.252	-1.852
C34	2.335	-0.759	-2.624
C35	2.335	-2.008	-1.852
C36	1.188	-2.841	-1.852
C37	0.000	-2.455	-2.624
C38	-1.188	-2.841	-1.852
C39	-2.335	-2.008	-1.852
C40	-2.335	-0.759	-2.624
C41	-3.069	0.252	-1.852
C42	-2.631	1.600	-1.852
C43	-2.631	2.372	-0.603
C44	-1.443	3.236	-0.603
C45	-0.709	2.997	-1.852
C46	-1.443	1.986	-2.624
C47	-0.734	1.011	-3.370
C48	-1.188	-0.386	-3.370
C49	0.000	-1.249	-3.370
C50	1.188	-0.386	-3.370
C51	0.734	1.011	-3.370
C52	1.443	1.986	-2.624
C53	0.709	2.997	-1.852
C54	1.443	3.236	-0.603
C55	0.734	3.466	0.603
C56	-0.734	3.466	0.603
C57	-1.188	2.841	1.852
C58	0.000	2.455	2.624
C59	1.188	2.841	1.852
C60	2.335	2.008	1.852

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		1.4687	2.3764	2.3764	1.4687	2.4997	3.7386	4.1648	3.6204	4.5647	4.5647	3.6204	4.1648	3.7386	2.4997	2.8862	4.1648	4.5647	5.5520	5.8579	5.2626	5.4637	6.2091	6.2091	5.4637	5.2626	5.8579	5.5520	4.5647	4.1648	4.8955	5.8579	6.1387	6.7389	6.5826	6.7389	7.0464	6.7389	6.5826	6.7389	6.1387	5.8579	4.8955	4.6700	5.5520	6.2091	6.7833	7.0359	7.1875	7.0359	6.7833	6.2091	5.5520	4.6700	3.6204	3.6204	2.4997	1.4175	2.4997	2.8862
C2	1.4687		1.4687	2.3764	2.3764	3.6204	4.5647	4.5647	3.6204	4.1648	3.7386	2.4997	2.8862	2.4997	1.4175	2.4997	3.6204	3.6204	4.6700	4.8955	4.1648	4.5647	5.5520	5.8579	5.2626	5.4637	6.2091	6.2091	5.4637	5.2626	5.8579	6.5826	6.7389	7.0464	6.7389	6.5826	6.7389	6.1387	5.8579	6.2091	5.5520	5.5520	4.6700	4.8955	5.8579	6.2091	6.7833	6.7833	7.0359	7.1875	7.0359	6.7389	6.1387	5.5520	4.5647	4.1648	2.8862	2.4997	3.7386	4.1648
C3	2.3764	1.4687		1.4687	2.3764	3.6204	4.1648	3.7386	2.4997	2.8862	2.4997	1.4175	2.4997	2.8862	2.4997	3.7386	4.5647	4.1648	4.8955	4.6700	3.6204	3.6204	4.6700	4.8955	4.1648	4.5647	5.5520	5.8579	5.2626	5.4637	6.2091	6.7389	6.5826	6.7389	6.1387	5.8579	6.2091	5.5520	5.5520	6.2091	5.8579	6.1387	5.5520	5.8579	6.5826	6.7389	7.0359	6.7833	6.7833	7.0359	7.1875	7.0464	6.7389	6.2091	5.4637	5.2626	4.1648	3.6204	4.5647	4.5647
C4	2.3764	2.3764	1.4687		1.4687	2.4997	2.8862	2.4997	1.4175	2.4997	2.8862	2.4997	3.7386	4.1648	3.6204	4.5647	5.4637	5.2626	5.8579	5.5520	4.5647	4.1648	4.8955	4.6700	3.6204	3.6204	4.6700	4.8955	4.1648	4.5647	5.5520	6.1387	5.8579	6.2091	5.5520	5.5520	6.2091	5.8579	6.1387	6.7389	6.5826	6.7389	6.2091	6.2091	6.7389	7.0464	7.1875	7.0359	6.7833	6.7833	7.0359	6.7389	6.5826	5.8579	5.2626	5.4637	4.5647	3.6204	4.1648	3.7386
C5	1.4687	2.3764	2.3764	1.4687		1.4175	2.4997	2.8862	2.4997	3.7386	4.1648	3.6204	4.5647	4.5647	3.6204	4.1648	5.2626	5.4637	6.2091	6.2091	5.4637	5.2626	5.8579	5.5520	4.5647	4.1648	4.8955	4.6700	3.6204	3.6204	4.6700	5.5520	5.5520	6.2091	5.8579	6.1387	6.7389	6.5826	6.7389	7.0464	6.7389	6.5826	5.8579	5.5520	6.1387	6.7389	7.0359	7.1875	7.0359	6.7833	6.7833	6.2091	5.8579	4.8955	4.1648	4.5647	3.7386	2.4997	2.8862	2.4997
C6	2.4997	3.6204	3.6204	2.4997	1.4175		1.4687	2.4997	2.8862	4.1648	4.8955	4.6700	5.5520	5.5520	4.6700	4.8955	5.8579	6.2091	6.7833	6.7833	6.2091	5.8579	6.1387	5.5520	4.5647	3.7386	4.1648	3.6204	2.3764	2.3764	3.6204	4.5647	4.5647	5.4637	5.2626	5.8579	6.5826	6.7389	7.0359	7.1875	7.0359	6.7389	6.1387	5.5520	5.8579	6.5826	6.7389	7.0464	6.7389	6.2091	6.2091	5.4637	5.2626	4.1648	3.7386	4.5647	4.1648	2.8862	2.4997	1.4687
C7	3.7386	4.5647	4.1648	2.8862	2.4997	1.4687		1.4175	2.4997	3.6204	4.6700	4.8955	5.8579	6.1387	5.5520	5.8579	6.5826	6.7389	7.0359	6.7833	6.2091	5.5520	5.5520	4.6700	3.6204	2.4997	2.8862	2.4997	1.4687	2.3764	3.6204	4.1648	3.7386	4.5647	4.1648	4.8955	5.8579	6.2091	6.7833	7.0359	7.1875	7.0464	6.7389	6.2091	6.2091	6.7389	6.5826	6.7389	6.1387	5.5520	5.8579	5.2626	5.4637	4.5647	4.5647	5.4637	5.2626	4.1648	3.6204	2.3764
C8	4.1648	4.5647	3.7386	2.4997	2.8862	2.4997	1.4175		1.4687	2.3764	3.6204	4.1648	5.2626	5.8579	5.5520	6.1387	6.7389	6.5826	6.7389	6.2091	5.4637	4.5647	4.5647	3.6204	2.3764	1.4687	2.4997	2.8862	2.4997	3.6204	4.6700	4.8955	4.1648	4.5647	3.7386	4.1648	5.2626	5.4637	6.2091	6.7389	7.0464	7.1875	7.0359	6.7833	6.7833	7.0359	6.7389	6.5826	5.8579	5.5520	6.1387	5.8579	6.2091	5.5520	5.5520	6.2091	5.8579	4.8955	4.6700	3.6204
C9	3.6204	3.6204	2.4997	1.4175	2.4997	2.8862	2.4997	1.4687		1.4687	2.4997	2.8862	4.1648	4.8955	4.6700	5.5520	6.2091	5.8579	6.1387	5.5520	4.5647	3.7386	4.1648	3.6204	2.3764	2.3764	3.6204	4.1648	3.7386	4.5647	5.5520	5.8579	5.2626	5.4637	4.5647	4.5647	5.4637	5.2626	5.8579	6.5826	6.7389	7.0359	6.7833	6.7833	7.0359	7.1875	7.0464	6.7389	6.2091	6.2091	6.7389	6.5826	6.7389	6.1387	5.8579	6.2091	5.5520	4.6700	4.8955	4.1648
C10	4.5647	4.1648	2.8862	2.4997	3.7386	4.1648	3.6204	2.3764	1.4687		1.4175	2.4997	3.6204	4.6700	4.8955	5.8579	6.2091	5.5520	5.5520	4.6700	3.6204	2.4997	2.8862	2.4997	1.4687	2.3764	3.6204	4.5647	4.5647	5.4637	6.2091	6.2091	5.4637	5.2626	4.1648	3.7386	4.5647	4.1648	4.8955	5.8579	6.2091	6.7833	6.7833	7.0359	7.1875	7.0359	6.7389	6.1387	5.5520	5.8579	6.5826	6.7389	7.0464	6.7389	6.5826	6.7389	6.1387	5.5520	5.8579	5.2626
C11	4.5647	3.7386	2.4997	2.8862	4.1648	4.8955	4.6700	3.6204	2.4997	1.4175		1.4687	2.3764	3.6204	4.1648	5.2626	5.4637	4.5647	4.5647	3.6204	2.3764	1.4687	2.4997	2.8862	2.4997	3.6204	4.6700	5.5520	5.5520	6.2091	6.7833	6.7833	6.2091	5.8579	4.8955	4.1648	4.5647	3.7386	4.1648	5.2626	5.4637	6.2091	6.2091	6.7389	7.0464	6.7389	6.5826	5.8579	5.5520	6.1387	6.7389	7.0359	7.1875	7.0359	6.7389	6.5826	5.8579	5.5520	6.1387	5.8579
C12	3.6204	2.4997	1.4175	2.4997	3.6204	4.6700	4.8955	4.1648	2.8862	2.4997	1.4687		1.4687	2.4997	2.8862	4.1648	4.5647	3.7386	4.1648	3.6204	2.3764	2.3764	3.6204	4.1648	3.7386	4.5647	5.5520	6.1387	5.8579	6.2091	6.7833	7.0359	6.7389	6.5826	5.8579	5.2626	5.4637	4.5647	4.5647	5.4637	5.2626	5.8579	5.5520	6.1387	6.7389	6.5826	6.7389	6.2091	6.2091	6.7389	7.0464	7.1875	7.0359	6.7833	6.2091	5.8579	4.8955	4.6700	5.5520	5.5520
C13	4.1648	2.8862	2.4997	3.7386	4.5647	5.5520	5.8579	5.2626	4.1648	3.6204	2.3764	1.4687		1.4175	2.4997	3.6204	3.6204	2.4997	2.8862	2.4997	1.4687	2.3764	3.6204	4.5647	4.5647	5.4637	6.2091	6.7389	6.5826	6.7389	7.0359	7.1875	7.0464	6.7389	6.2091	5.4637	5.2626	4.1648	3.7386	4.5647	4.1648	4.8955	4.6700	5.5520	6.2091	5.8579	6.1387	5.5520	5.8579	6.5826	6.7389	7.0359	6.7833	6.7833	6.2091	5.5520	4.6700	4.8955	5.8579	6.1387
C14	3.7386	2.4997	2.8862	4.1648	4.5647	5.5520	6.1387	5.8579	4.8955	4.6700	3.6204	2.4997	1.4175		1.4687	2.3764	2.3764	1.4687	2.4997	2.8862	2.4997	3.6204	4.6700	5.5520	5.5520	6.2091	6.7833	7.0359	6.7389	6.5826	6.7389	7.0464	7.1875	7.0359	6.7833	6.2091	5.8579	4.8955	4.1648	4.5647	3.7386	4.1648	3.6204	4.5647	5.4637	5.2626	5.8579	5.5520	6.1387	6.7389	6.5826	6.7389	6.2091	6.2091	5.4637	4.5647	3.6204	4.1648	5.2626	5.8579
C15	2.4997	1.4175	2.4997	3.6204	3.6204	4.6700	5.5520	5.5520	4.6700	4.8955	4.1648	2.8862	2.4997	1.4687		1.4687	2.3764	2.3764	3.6204	4.1648	3.7386	4.5647	5.5520	6.1387	5.8579	6.2091	6.7833	6.7833	6.2091	5.8579	6.1387	6.7389	7.0359	7.1875	7.0359	6.7389	6.5826	5.8579	5.2626	5.4637	4.5647	4.5647	3.6204	4.1648	5.2626	5.4637	6.2091	6.2091	6.7389	7.0464	6.7389	6.5826	5.8579	5.5520	4.5647	3.7386	2.4997	2.8862	4.1648	4.8955
C16	2.8862	2.4997	3.7386	4.5647	4.1648	4.8955	5.8579	6.1387	5.5520	5.8579	5.2626	4.1648	3.6204	2.3764	1.4687		1.4687	2.3764	3.6204	4.5647	4.5647	5.4637	6.2091	6.7389	6.5826	6.7389	7.0359	6.7833	6.2091	5.5520	5.5520	6.2091	6.7833	7.0359	7.1875	7.0464	6.7389	6.2091	5.4637	5.2626	4.1648	3.7386	2.4997	2.8862	4.1648	4.5647	5.5520	5.8579	6.5826	6.7389	6.1387	5.8579	4.8955	4.6700	3.6204	2.4997	1.4175	2.4997	3.6204	4.6700
C17	4.1648	3.6204	4.5647	5.4637	5.2626	5.8579	6.5826	6.7389	6.2091	6.2091	5.4637	4.5647	3.6204	2.3764	2.3764	1.4687		1.4687	2.4997	3.7386	4.1648	5.2626	5.8579	6.5826	6.7389	7.0464	7.1875	7.0359	6.7389	6.1387	5.8579	6.2091	6.7833	6.7833	7.0359	6.7389	6.1387	5.5520	4.5647	4.1648	2.8862	2.4997	1.4175	2.4997	3.6204	3.6204	4.6700	4.8955	5.8579	6.2091	5.5520	5.5520	4.6700	4.8955	4.1648	2.8862	2.4997	3.7386	4.5647	5.5520
C18	4.5647	3.6204	4.1648	5.2626	5.4637	6.2091	6.7389	6.5826	5.8579	5.5520	4.5647	3.7386	2.4997	1.4687	2.3764	2.3764	1.4687		1.4175	2.4997	2.8862	4.1648	4.8955	5.8579	6.1387	6.7389	7.0359	7.1875	7.0464	6.7389	6.5826	6.7389	7.0359	6.7833	6.7833	6.2091	5.5520	4.6700	3.6204	3.6204	2.4997	2.8862	2.4997	3.7386	4.5647	4.1648	4.8955	4.6700	5.5520	6.2091	5.8579	6.1387	5.5520	5.8579	5.2626	4.1648	3.6204	4.5647	5.4637	6.2091
C19	5.5520	4.6700	4.8955	5.8579	6.2091	6.7833	7.0359	6.7389	6.1387	5.5520	4.5647	4.1648	2.8862	2.4997	3.6204	3.6204	2.4997	1.4175		1.4687	2.4997	3.7386	4.1648	5.2626	5.8579	6.5826	6.7389	7.0464	7.1875	7.0359	6.7389	6.5826	6.7389	6.2091	6.2091	5.4637	4.5647	3.6204	2.3764	2.3764	1.4687	2.4997	2.8862	4.1648	4.5647	3.7386	4.1648	3.6204	4.5647	5.4637	5.2626	5.8579	5.5520	6.1387	5.8579	4.8955	4.6700	5.5520	6.2091	6.7833
C20	5.8579	4.8955	4.6700	5.5520	6.2091	6.7833	6.7833	6.2091	5.5520	4.6700	3.6204	3.6204	2.4997	2.8862	4.1648	4.5647	3.7386	2.4997	1.4687		1.4175	2.4997	2.8862	4.1648	4.8955	5.8579	6.1387	6.7389	7.0359	7.1875	7.0464	6.7389	6.5826	5.8579	5.5520	4.5647	3.7386	2.4997	1.4687	2.3764	2.3764	3.6204	4.1648	5.2626	5.4637	4.5647	4.5647	3.6204	4.1648	5.2626	5.4637	6.2091	6.2091	6.7389	6.5826	5.8579	5.5520	6.1387	6.7389	7.0359
C21	5.2626	4.1648	3.6204	4.5647	5.4637	6.2091	6.2091	5.4637	4.5647	3.6204	2.3764	2.3764	1.4687	2.4997	3.7386	4.5647	4.1648	2.8862	2.4997	1.4175		1.4687	2.4997	3.7386	4.1648	5.2626	5.8579	6.5826	6.7389	7.0464	7.1875	7.0359	6.7389	6.1387	5.5520	4.5647	4.1648	2.8862	2.4997	3.6204	3.6204	4.6700	4.8955	5.8579	6.2091	5.5520	5.5520	4.6700	4.8955	5.8579	6.2091	6.7833	6.7833	7.0359	6.7389	6.1387	5.5520	5.8579	6.5826	6.7389
C22	5.4637	4.5647	3.6204	4.1648	5.2626	5.8579	5.5520	4.5647	3.7386	2.4997	1.4687	2.3764	2.3764	3.6204	4.5647	5.4637	5.2626	4.1648	3.7386	2.4997	1.4687		1.4175	2.4997	2.8862	4.1648	4.8955	5.8579	6.1387	6.7389	7.0359	6.7833	6.2091	5.5520	4.6700	3.6204	3.6204	2.4997	2.8862	4.1648	4.5647	5.5520	5.8579	6.5826	6.7389	6.1387	5.8579	4.8955	4.6700	5.5520	6.2091	6.7833	7.0359	7.1875	7.0464	6.7389	6.2091	6.2091	6.7389	6.5826
C23	6.2091	5.5520	4.6700	4.8955	5.8579	6.1387	5.5520	4.5647	4.1648	2.8862	2.4997	3.6204	3.6204	4.6700	5.5520	6.2091	5.8579	4.8955	4.1648	2.8862	2.4997	1.4175		1.4687	2.4997	3.7386	4.1648	5.2626	5.8579	6.5826	6.7389	6.2091	5.4637	4.5647	3.6204	2.3764	2.3764	1.4687	2.4997	3.7386	4.5647	5.5520	6.1387	6.7389	6.5826	5.8579	5.2626	4.1648	3.6204	4.5647	5.4637	6.2091	6.7389	7.0464	7.1875	7.0359	6.7833	6.7833	7.0359	6.7389
C24	6.2091	5.8579	4.8955	4.6700	5.5520	5.5520	4.6700	3.6204	3.6204	2.4997	2.8862	4.1648	4.5647	5.5520	6.1387	6.7389	6.5826	5.8579	5.2626	4.1648	3.7386	2.4997	1.4687		1.4175	2.4997	2.8862	4.1648	4.8955	5.8579	6.1387	5.5520	4.5647	3.7386	2.4997	1.4687	2.3764	2.3764	3.6204	4.5647	5.4637	6.2091	6.7389	7.0464	6.7389	6.2091	5.4637	4.5647	3.6204	4.1648	5.2626	5.8579	6.5826	6.7389	7.0359	7.1875	7.0359	6.7833	6.7833	6.2091
C25	5.4637	5.2626	4.1648	3.6204	4.5647	4.5647	3.6204	2.3764	2.3764	1.4687	2.4997	3.7386	4.5647	5.5520	5.8579	6.5826	6.7389	6.1387	5.8579	4.8955	4.1648	2.8862	2.4997	1.4175		1.4687	2.4997	3.7386	4.1648	5.2626	5.8579	5.5520	4.5647	4.1648	2.8862	2.4997	3.6204	3.6204	4.6700	5.5520	6.2091	6.7833	7.0359	7.1875	7.0359	6.7833	6.2091	5.5520	4.6700	4.8955	5.8579	6.1387	6.7389	6.5826	6.7389	7.0464	6.7389	6.2091	6.2091	5.4637
C26	5.2626	5.4637	4.5647	3.6204	4.1648	3.7386	2.4997	1.4687	2.3764	2.3764	3.6204	4.5647	5.4637	6.2091	6.2091	6.7389	7.0464	6.7389	6.5826	5.8579	5.2626	4.1648	3.7386	2.4997	1.4687		1.4175	2.4997	2.8862	4.1648	4.8955	4.6700	3.6204	3.6204	2.4997	2.8862	4.1648	4.5647	5.5520	6.1387	6.7389	7.0359	7.1875	7.0359	6.7833	6.7833	6.2091	5.8579	4.8955	4.6700	5.5520	5.5520	6.2091	5.8579	6.1387	6.7389	6.5826	5.8579	5.5520	4.5647
C27	5.8579	6.2091	5.5520	4.6700	4.8955	4.1648	2.8862	2.4997	3.6204	3.6204	4.6700	5.5520	6.2091	6.7833	6.7833	7.0359	7.1875	7.0359	6.7389	6.1387	5.8579	4.8955	4.1648	2.8862	2.4997	1.4175		1.4687	2.4997	3.7386	4.1648	3.6204	2.3764	2.3764	1.4687	2.4997	3.7386	4.5647	5.5520	5.8579	6.5826	6.7389	7.0464	6.7389	6.2091	6.2091	5.4637	5.2626	4.1648	3.6204	4.5647	4.5647	5.4637	5.2626	5.8579	6.5826	6.7389	6.1387	5.5520	4.5647
C28	5.5520	6.2091	5.8579	4.8955	4.6700	3.6204	2.4997	2.8862	4.1648	4.5647	5.5520	6.1387	6.7389	7.0359	6.7833	6.7833	7.0359	7.1875	7.0464	6.7389	6.5826	5.8579	5.2626	4.1648	3.7386	2.4997	1.4687		1.4175	2.4997	2.8862	2.4997	1.4687	2.3764	2.3764	3.6204	4.5647	5.4637	6.2091	6.2091	6.7389	6.5826	6.7389	6.1387	5.5520	5.8579	5.2626	5.4637	4.5647	3.6204	4.1648	3.7386	4.5647	4.1648	4.8955	5.8579	6.2091	5.5520	4.6700	3.6204
C29	4.5647	5.4637	5.2626	4.1648	3.6204	2.3764	1.4687	2.4997	3.7386	4.5647	5.5520	5.8579	6.5826	6.7389	6.2091	6.2091	6.7389	7.0464	7.1875	7.0359	6.7389	6.1387	5.8579	4.8955	4.1648	2.8862	2.4997	1.4175		1.4687	2.4997	2.8862	2.4997	3.6204	3.6204	4.6700	5.5520	6.2091	6.7833	6.7833	7.0359	6.7389	6.5826	5.8579	5.5520	6.1387	5.8579	6.2091	5.5520	4.6700	4.8955	4.1648	4.5647	3.7386	4.1648	5.2626	5.4637	4.5647	3.6204	2.3764
C30	4.1648	5.2626	5.4637	4.5647	3.6204	2.3764	2.3764	3.6204	4.5647	5.4637	6.2091	6.2091	6.7389	6.5826	5.8579	5.5520	6.1387	6.7389	7.0359	7.1875	7.0464	6.7389	6.5826	5.8579	5.2626	4.1648	3.7386	2.4997	1.4687		1.4175	2.4997	2.8862	4.1648	4.5647	5.5520	6.1387	6.7389	7.0359	6.7833	6.7833	6.2091	5.8579	4.8955	4.6700	5.5520	5.5520	6.2091	5.8579	4.8955	4.6700	3.6204	3.6204	2.4997	2.8862	4.1648	4.5647	3.7386	2.4997	1.4687
C31	4.8955	5.8579	6.2091	5.5520	4.6700	3.6204	3.6204	4.6700	5.5520	6.2091	6.7833	6.7833	7.0359	6.7389	6.1387	5.5520	5.8579	6.5826	6.7389	7.0464	7.1875	7.0359	6.7389	6.1387	5.8579	4.8955	4.1648	2.8862	2.4997	1.4175		1.4687	2.4997	3.7386	4.5647	5.5520	5.8579	6.5826	6.7389	6.2091	6.2091	5.4637	5.2626	4.1648	3.6204	4.5647	4.5647	5.4637	5.2626	4.1648	3.6204	2.3764	2.3764	1.4687	2.4997	3.7386	4.5647	4.1648	2.8862	2.4997
C32	5.8579	6.5826	6.7389	6.1387	5.5520	4.5647	4.1648	4.8955	5.8579	6.2091	6.7833	7.0359	7.1875	7.0464	6.7389	6.2091	6.2091	6.7389	6.5826	6.7389	7.0359	6.7833	6.2091	5.5520	5.5520	4.6700	3.6204	2.4997	2.8862	2.4997	1.4687		1.4175	2.4997	3.6204	4.6700	4.8955	5.8579	6.1387	5.5520	5.8579	5.2626	5.4637	4.5647	3.6204	4.1648	3.7386	4.5647	4.1648	2.8862	2.4997	1.4687	2.3764	2.3764	3.6204	4.5647	5.4637	5.2626	4.1648	3.7386
C33	6.1387	6.7389	6.5826	5.8579	5.5520	4.5647	3.7386	4.1648	5.2626	5.4637	6.2091	6.7389	7.0464	7.1875	7.0359	6.7833	6.7833	7.0359	6.7389	6.5826	6.7389	6.2091	5.4637	4.5647	4.5647	3.6204	2.3764	1.4687	2.4997	2.8862	2.4997	1.4175		1.4687	2.3764	3.6204	4.1648	5.2626	5.8579	5.5520	6.1387	5.8579	6.2091	5.5520	4.6700	4.8955	4.1648	4.5647	3.7386	2.4997	2.8862	2.4997	3.6204	3.6204	4.6700	5.5520	6.2091	5.8579	4.8955	4.1648
C34	6.7389	7.0464	6.7389	6.2091	6.2091	5.4637	4.5647	4.5647	5.4637	5.2626	5.8579	6.5826	6.7389	7.0359	7.1875	7.0359	6.7833	6.7833	6.2091	5.8579	6.1387	5.5520	4.5647	3.7386	4.1648	3.6204	2.3764	2.3764	3.6204	4.1648	3.7386	2.4997	1.4687		1.4687	2.4997	2.8862	4.1648	4.8955	4.6700	5.5520	5.5520	6.2091	5.8579	4.8955	4.6700	3.6204	3.6204	2.4997	1.4175	2.4997	2.8862	4.1648	4.5647	5.5520	6.1387	6.7389	6.5826	5.8579	5.2626
C35	6.5826	6.7389	6.1387	5.5520	5.8579	5.2626	4.1648	3.7386	4.5647	4.1648	4.8955	5.8579	6.2091	6.7833	7.0359	7.1875	7.0359	6.7833	6.2091	5.5520	5.5520	4.6700	3.6204	2.4997	2.8862	2.4997	1.4687	2.3764	3.6204	4.5647	4.5647	3.6204	2.3764	1.4687		1.4175	2.4997	3.6204	4.6700	4.8955	5.8579	6.1387	6.7389	6.5826	5.8579	5.5520	4.5647	4.1648	2.8862	2.4997	3.7386	4.1648	5.2626	5.4637	6.2091	6.7389	7.0464	6.7389	6.2091	5.4637
C36	6.7389	6.5826	5.8579	5.5520	6.1387	5.8579	4.8955	4.1648	4.5647	3.7386	4.1648	5.2626	5.4637	6.2091	6.7389	7.0464	6.7389	6.2091	5.4637	4.5647	4.5647	3.6204	2.3764	1.4687	2.4997	2.8862	2.4997	3.6204	4.6700	5.5520	5.5520	4.6700	3.6204	2.4997	1.4175		1.4687	2.3764	3.6204	4.1648	5.2626	5.8579	6.5826	6.7389	6.1387	5.5520	4.5647	3.7386	2.4997	2.8862	4.1648	4.8955	5.8579	6.2091	6.7833	7.0359	7.1875	7.0359	6.7833	6.2091
C37	7.0464	6.7389	6.2091	6.2091	6.7389	6.5826	5.8579	5.2626	5.4637	4.5647	4.5647	5.4637	5.2626	5.8579	6.5826	6.7389	6.1387	5.5520	4.5647	3.7386	4.1648	3.6204	2.3764	2.3764	3.6204	4.1648	3.7386	4.5647	5.5520	6.1387	5.8579	4.8955	4.1648	2.8862	2.4997	1.4687		1.4687	2.4997	2.8862	4.1648	4.8955	5.8579	6.2091	5.5520	4.6700	3.6204	2.4997	1.4175	2.4997	3.6204	4.6700	5.5520	6.2091	6.7833	6.7833	7.0359	7.1875	7.0359	6.7389
C38	6.7389	6.1387	5.5520	5.8579	6.5826	6.7389	6.2091	5.4637	5.2626	4.1648	3.7386	4.5647	4.1648	4.8955	5.8579	6.2091	5.5520	4.6700	3.6204	2.4997	2.8862	2.4997	1.4687	2.3764	3.6204	4.5647	4.5647	5.4637	6.2091	6.7389	6.5826	5.8579	5.2626	4.1648	3.6204	2.3764	1.4687		1.4175	2.4997	3.6204	4.6700	5.5520	6.2091	5.8579	4.8955	4.1648	2.8862	2.4997	3.7386	4.5647	5.5520	6.1387	6.7389	7.0359	6.7833	6.7833	7.0359	7.1875	7.0464
C39	6.5826	5.8579	5.5520	6.1387	6.7389	7.0359	6.7833	6.2091	5.8579	4.8955	4.1648	4.5647	3.7386	4.1648	5.2626	5.4637	4.5647	3.6204	2.3764	1.4687	2.4997	2.8862	2.4997	3.6204	4.6700	5.5520	5.5520	6.2091	6.7833	7.0359	6.7389	6.1387	5.8579	4.8955	4.6700	3.6204	2.4997	1.4175		1.4687	2.3764	3.6204	4.5647	5.4637	5.2626	4.1648	3.7386	2.4997	2.8862	4.1648	4.5647	5.5520	5.8579	6.5826	6.7389	6.2091	6.2091	6.7389	7.0464	7.1875
C40	6.7389	6.2091	6.2091	6.7389	7.0464	7.1875	7.0359	6.7389	6.5826	5.8579	5.2626	5.4637	4.5647	4.5647	5.4637	5.2626	4.1648	3.6204	2.3764	2.3764	3.6204	4.1648	3.7386	4.5647	5.5520	6.1387	5.8579	6.2091	6.7833	6.7833	6.2091	5.5520	5.5520	4.6700	4.8955	4.1648	2.8862	2.4997	1.4687		1.4687	2.4997	3.7386	4.5647	4.1648	2.8862	2.4997	1.4175	2.4997	3.6204	3.6204	4.6700	4.8955	5.8579	6.1387	5.5520	5.8579	6.5826	6.7389	7.0359
C41	6.1387	5.5520	5.8579	6.5826	6.7389	7.0359	7.1875	7.0464	6.7389	6.2091	5.4637	5.2626	4.1648	3.7386	4.5647	4.1648	2.8862	2.4997	1.4687	2.3764	3.6204	4.5647	4.5647	5.4637	6.2091	6.7389	6.5826	6.7389	7.0359	6.7833	6.2091	5.8579	6.1387	5.5520	5.8579	5.2626	4.1648	3.6204	2.3764	1.4687		1.4175	2.4997	3.6204	3.6204	2.4997	2.8862	2.4997	3.7386	4.5647	4.1648	4.8955	4.6700	5.5520	5.5520	4.6700	4.8955	5.8579	6.2091	6.7833
C42	5.8579	5.5520	6.1387	6.7389	6.5826	6.7389	7.0464	7.1875	7.0359	6.7833	6.2091	5.8579	4.8955	4.1648	4.5647	3.7386	2.4997	2.8862	2.4997	3.6204	4.6700	5.5520	5.5520	6.2091	6.7833	7.0359	6.7389	6.5826	6.7389	6.2091	5.4637	5.2626	5.8579	5.5520	6.1387	5.8579	4.8955	4.6700	3.6204	2.4997	1.4175		1.4687	2.3764	2.3764	1.4687	2.4997	2.8862	4.1648	4.5647	3.7386	4.1648	3.6204	4.5647	4.5647	3.6204	4.1648	5.2626	5.4637	6.2091
C43	4.8955	4.6700	5.5520	6.2091	5.8579	6.1387	6.7389	7.0359	6.7833	6.7833	6.2091	5.5520	4.6700	3.6204	3.6204	2.4997	1.4175	2.4997	2.8862	4.1648	4.8955	5.8579	6.1387	6.7389	7.0359	7.1875	7.0464	6.7389	6.5826	5.8579	5.2626	5.4637	6.2091	6.2091	6.7389	6.5826	5.8579	5.5520	4.5647	3.7386	2.4997	1.4687		1.4687	2.3764	2.3764	3.6204	4.1648	5.2626	5.4637	4.5647	4.5647	3.6204	4.1648	3.7386	2.4997	2.8862	4.1648	4.5647	5.5520
C44	4.6700	4.8955	5.8579	6.2091	5.5520	5.5520	6.2091	6.7833	6.7833	7.0359	6.7389	6.1387	5.5520	4.5647	4.1648	2.8862	2.4997	3.7386	4.1648	5.2626	5.8579	6.5826	6.7389	7.0464	7.1875	7.0359	6.7389	6.1387	5.8579	4.8955	4.1648	4.5647	5.5520	5.8579	6.5826	6.7389	6.2091	6.2091	5.4637	4.5647	3.6204	2.3764	1.4687		1.4687	2.3764	3.6204	4.5647	5.4637	5.2626	4.1648	3.7386	2.4997	2.8862	2.4997	1.4175	2.4997	3.6204	3.6204	4.6700
C45	5.5520	5.8579	6.5826	6.7389	6.1387	5.8579	6.2091	6.7833	7.0359	7.1875	7.0464	6.7389	6.2091	5.4637	5.2626	4.1648	3.6204	4.5647	4.5647	5.4637	6.2091	6.7389	6.5826	6.7389	7.0359	6.7833	6.2091	5.5520	5.5520	4.6700	3.6204	3.6204	4.6700	4.8955	5.8579	6.1387	5.5520	5.8579	5.2626	4.1648	3.6204	2.3764	2.3764	1.4687		1.4687	2.4997	3.7386	4.5647	4.1648	2.8862	2.4997	1.4175	2.4997	2.8862	2.4997	3.7386	4.5647	4.1648	4.8955
C46	6.2091	6.2091	6.7389	7.0464	6.7389	6.5826	6.7389	7.0359	7.1875	7.0359	6.7389	6.5826	5.8579	5.2626	5.4637	4.5647	3.6204	4.1648	3.7386	4.5647	5.5520	6.1387	5.8579	6.2091	6.7833	6.7833	6.2091	5.8579	6.1387	5.5520	4.5647	4.1648	4.8955	4.6700	5.5520	5.5520	4.6700	4.8955	4.1648	2.8862	2.4997	1.4687	2.3764	2.3764	1.4687		1.4175	2.4997	3.6204	3.6204	2.4997	2.8862	2.4997	3.7386	4.1648	3.6204	4.5647	5.4637	5.2626	5.8579
C47	6.7833	6.7833	7.0359	7.1875	7.0359	6.7389	6.5826	6.7389	7.0464	6.7389	6.5826	6.7389	6.1387	5.8579	6.2091	5.5520	4.6700	4.8955	4.1648	4.5647	5.5520	5.8579	5.2626	5.4637	6.2091	6.2091	5.4637	5.2626	5.8579	5.5520	4.5647	3.7386	4.1648	3.6204	4.5647	4.5647	3.6204	4.1648	3.7386	2.4997	2.8862	2.4997	3.6204	3.6204	2.4997	1.4175		1.4687	2.3764	2.3764	1.4687	2.4997	2.8862	4.1648	4.8955	4.6700	5.5520	6.2091	5.8579	6.1387
C48	7.0359	6.7833	6.7833	7.0359	7.1875	7.0464	6.7389	6.5826	6.7389	6.1387	5.8579	6.2091	5.5520	5.5520	6.2091	5.8579	4.8955	4.6700	3.6204	3.6204	4.6700	4.8955	4.1648	4.5647	5.5520	5.8579	5.2626	5.4637	6.2091	6.2091	5.4637	4.5647	4.5647	3.6204	4.1648	3.7386	2.4997	2.8862	2.4997	1.4175	2.4997	2.8862	4.1648	4.5647	3.7386	2.4997	1.4687		1.4687	2.3764	2.3764	3.6204	4.1648	5.2626	5.8579	5.5520	6.1387	6.7389	6.5826	6.7389
C49	7.1875	7.0359	6.7833	6.7833	7.0359	6.7389	6.1387	5.8579	6.2091	5.5520	5.5520	6.2091	5.8579	6.1387	6.7389	6.5826	5.8579	5.5520	4.5647	4.1648	4.8955	4.6700	3.6204	3.6204	4.6700	4.8955	4.1648	4.5647	5.5520	5.8579	5.2626	4.1648	3.7386	2.4997	2.8862	2.4997	1.4175	2.4997	2.8862	2.4997	3.7386	4.1648	5.2626	5.4637	4.5647	3.6204	2.3764	1.4687		1.4687	2.3764	3.6204	4.5647	5.4637	6.2091	6.2091	6.7389	7.0464	6.7389	6.5826
C50	7.0359	7.1875	7.0359	6.7833	6.7833	6.2091	5.5520	5.5520	6.2091	5.8579	6.1387	6.7389	6.5826	6.7389	7.0464	6.7389	6.2091	6.2091	5.4637	5.2626	5.8579	5.5520	4.5647	4.1648	4.8955	4.6700	3.6204	3.6204	4.6700	4.8955	4.1648	2.8862	2.4997	1.4175	2.4997	2.8862	2.4997	3.7386	4.1648	3.6204	4.5647	4.5647	5.4637	5.2626	4.1648	3.6204	2.3764	2.3764	1.4687		1.4687	2.4997	3.7386	4.5647	5.5520	5.8579	6.5826	6.7389	6.1387	5.8579
C51	6.7833	7.0359	7.1875	7.0359	6.7833	6.2091	5.8579	6.1387	6.7389	6.5826	6.7389	7.0464	6.7389	6.5826	6.7389	6.1387	5.5520	5.8579	5.2626	5.4637	6.2091	6.2091	5.4637	5.2626	5.8579	5.5520	4.5647	4.1648	4.8955	4.6700	3.6204	2.4997	2.8862	2.4997	3.7386	4.1648	3.6204	4.5647	4.5647	3.6204	4.1648	3.7386	4.5647	4.1648	2.8862	2.4997	1.4687	2.3764	2.3764	1.4687		1.4175	2.4997	3.6204	4.6700	4.8955	5.8579	6.2091	5.5520	5.5520
C52	6.2091	6.7389	7.0464	6.7389	6.2091	5.4637	5.2626	5.8579	6.5826	6.7389	7.0359	7.1875	7.0359	6.7389	6.5826	5.8579	5.5520	6.1387	5.8579	6.2091	6.7833	6.7833	6.2091	5.8579	6.1387	5.5520	4.5647	3.7386	4.1648	3.6204	2.3764	1.4687	2.4997	2.8862	4.1648	4.8955	4.6700	5.5520	5.5520	4.6700	4.8955	4.1648	4.5647	3.7386	2.4997	2.8862	2.4997	3.6204	3.6204	2.4997	1.4175		1.4687	2.3764	3.6204	4.1648	5.2626	5.4637	4.5647	4.5647
C53	5.5520	6.1387	6.7389	6.5826	5.8579	5.2626	5.4637	6.2091	6.7389	7.0464	7.1875	7.0359	6.7833	6.2091	5.8579	4.8955	4.6700	5.5520	5.5520	6.2091	6.7833	7.0359	6.7389	6.5826	6.7389	6.2091	5.4637	4.5647	4.5647	3.6204	2.3764	2.3764	3.6204	4.1648	5.2626	5.8579	5.5520	6.1387	5.8579	4.8955	4.6700	3.6204	3.6204	2.4997	1.4175	2.4997	2.8862	4.1648	4.5647	3.7386	2.4997	1.4687		1.4687	2.4997	2.8862	4.1648	4.5647	3.7386	4.1648
C54	4.6700	5.5520	6.2091	5.8579	4.8955	4.1648	4.5647	5.5520	6.1387	6.7389	7.0359	6.7833	6.7833	6.2091	5.5520	4.6700	4.8955	5.8579	6.1387	6.7389	7.0359	7.1875	7.0464	6.7389	6.5826	5.8579	5.2626	4.1648	3.7386	2.4997	1.4687	2.3764	3.6204	4.5647	5.4637	6.2091	6.2091	6.7389	6.5826	5.8579	5.5520	4.5647	4.1648	2.8862	2.4997	3.7386	4.1648	5.2626	5.4637	4.5647	3.6204	2.3764	1.4687		1.4175	2.4997	3.6204	3.6204	2.4997	2.8862
C55	3.6204	4.5647	5.4637	5.2626	4.1648	3.7386	4.5647	5.5520	5.8579	6.5826	6.7389	6.2091	6.2091	5.4637	4.5647	3.6204	4.1648	5.2626	5.8579	6.5826	6.7389	7.0464	7.1875	7.0359	6.7389	6.1387	5.8579	4.8955	4.1648	2.8862	2.4997	3.6204	4.6700	5.5520	6.2091	6.7833	6.7833	7.0359	6.7389	6.1387	5.5520	4.5647	3.7386	2.4997	2.8862	4.1648	4.8955	5.8579	6.2091	5.5520	4.6700	3.6204	2.4997	1.4175		1.4687	2.3764	2.3764	1.4687	2.4997
C56	3.6204	4.1648	5.2626	5.4637	4.5647	4.5647	5.4637	6.2091	6.2091	6.7389	6.5826	5.8579	5.5520	4.5647	3.7386	2.4997	2.8862	4.1648	4.8955	5.8579	6.1387	6.7389	7.0359	7.1875	7.0464	6.7389	6.5826	5.8579	5.2626	4.1648	3.7386	4.5647	5.5520	6.1387	6.7389	7.0359	6.7833	6.7833	6.2091	5.5520	4.6700	3.6204	2.4997	1.4175	2.4997	3.6204	4.6700	5.5520	6.2091	5.8579	4.8955	4.1648	2.8862	2.4997	1.4687		1.4687	2.3764	2.3764	3.6204
C57	2.4997	2.8862	4.1648	4.5647	3.7386	4.1648	5.2626	5.8579	5.5520	6.1387	5.8579	4.8955	4.6700	3.6204	2.4997	1.4175	2.4997	3.6204	4.6700	5.5520	5.5520	6.2091	6.7833	7.0359	6.7389	6.5826	6.7389	6.2091	5.4637	4.5647	4.5647	5.4637	6.2091	6.7389	7.0464	7.1875	7.0359	6.7833	6.2091	5.8579	4.8955	4.1648	2.8862	2.4997	3.7386	4.5647	5.5520	6.1387	6.7389	6.5826	5.8579	5.2626	4.1648	3.6204	2.3764	1.4687		1.4687	2.3764	3.6204
C58	1.4175	2.4997	3.6204	3.6204	2.4997	2.8862	4.1648	4.8955	4.6700	5.5520	5.5520	4.6700	4.8955	4.1648	2.8862	2.4997	3.7386	4.5647	5.5520	6.1387	5.8579	6.2091	6.7833	6.7833	6.2091	5.8579	6.1387	5.5520	4.5647	3.7386	4.1648	5.2626	5.8579	6.5826	6.7389	7.0359	7.1875	7.0359	6.7389	6.5826	5.8579	5.2626	4.1648	3.6204	4.5647	5.4637	6.2091	6.7389	7.0464	6.7389	6.2091	5.4637	4.5647	3.6204	2.3764	2.3764	1.4687		1.4687	2.4997
C59	2.4997	3.7386	4.5647	4.1648	2.8862	2.4997	3.6204	4.6700	4.8955	5.8579	6.1387	5.5520	5.8579	5.2626	4.1648	3.6204	4.5647	5.4637	6.2091	6.7389	6.5826	6.7389	7.0359	6.7833	6.2091	5.5520	5.5520	4.6700	3.6204	2.4997	2.8862	4.1648	4.8955	5.8579	6.2091	6.7833	7.0359	7.1875	7.0464	6.7389	6.2091	5.4637	4.5647	3.6204	4.1648	5.2626	5.8579	6.5826	6.7389	6.1387	5.5520	4.5647	3.7386	2.4997	1.4687	2.3764	2.3764	1.4687		1.4175
C60	2.8862	4.1648	4.5647	3.7386	2.4997	1.4687	2.3764	3.6204	4.1648	5.2626	5.8579	5.5520	6.1387	5.8579	4.8955	4.6700	5.5520	6.2091	6.7833	7.0359	6.7389	6.5826	6.7389	6.2091	5.4637	4.5647	4.5647	3.6204	2.3764	1.4687	2.4997	3.7386	4.1648	5.2626	5.4637	6.2091	6.7389	7.0464	7.1875	7.0359	6.7833	6.2091	5.5520	4.6700	4.8955	5.8579	6.1387	6.7389	6.5826	5.8579	5.5520	4.5647	4.1648	2.8862	2.4997	3.6204	3.6204	2.4997	1.4175

picture of Buckminsterfullerene state 1 conformation 1

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

All results from a given calculation for C₆₀ (Buckminsterfullerene)

using model chemistry: MP2=FULL/6-31G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C60 (Buckminsterfullerene)

using model chemistry: MP2=FULL/6-31G

States and conformations

All results from a given calculation for C₆₀ (Buckminsterfullerene)