C60의 최적화 구조의 원자 좌표 : B3LYP/6-31g(d)
C
|
0.000000
|
1.236839
|
3.328030
|
C
|
-1.176304
|
0.382204
|
3.328030
|
C
|
-0.726996
|
-1.000624
|
3.328030
|
C
|
0.726996
|
-1.000624
|
3.328030
|
C
|
1.176304
|
0.382204
|
3.328030
|
C
|
2.600831
|
-2.342897
|
0.593355
|
C
|
2.600831
|
-1.578488
|
1.830194
|
C
|
1.424527
|
-1.960693
|
2.594603
|
C
|
0.697531
|
-2.961317
|
1.830194
|
C
|
1.424527
|
-3.197532
|
0.593355
|
C
|
-2.304933
|
1.985757
|
1.830194
|
C
|
-3.031928
|
1.749542
|
0.593355
|
C
|
-3.481237
|
0.366714
|
0.593355
|
C
|
-3.031928
|
-0.251706
|
1.830194
|
C
|
-2.304933
|
0.748918
|
2.594603
|
C
|
1.176304
|
-2.805754
|
-1.830194
|
C
|
0.726996
|
-3.424174
|
-0.593355
|
C
|
-0.726996
|
-3.424174
|
-0.593355
|
C
|
-1.176304
|
-2.805754
|
-1.830194
|
C
|
0.000000
|
-2.423549
|
-2.594603
|
C
|
2.304933
|
-1.985757
|
-1.830194
|
C
|
2.304933
|
-0.748918
|
-2.594603
|
C
|
3.031928
|
0.251706
|
-1.830194
|
C
|
3.481237
|
-0.366714
|
-0.593355
|
C
|
3.031928
|
-1.749542
|
-0.593355
|
C
|
0.000000
|
2.423549
|
2.594603
|
C
|
1.176304
|
2.805754
|
1.830194
|
C
|
0.726996
|
3.424174
|
0.593355
|
C
|
-0.726996
|
3.424174
|
0.593355
|
C
|
-1.176304
|
2.805754
|
1.830194
|
C
|
-1.424527
|
-1.960693
|
2.594603
|
C
|
-2.600831
|
-1.578488
|
1.830194
|
C
|
-2.600831
|
-2.342897
|
0.593355
|
C
|
-1.424527
|
-3.197532
|
0.593355
|
C
|
-0.697531
|
-2.961317
|
1.830194
|
C
|
2.304933
|
0.748918
|
2.594603
|
C
|
3.031928
|
-0.251706
|
1.830194
|
C
|
3.481237
|
0.366714
|
0.593355
|
C
|
3.031928
|
1.749542
|
0.593355
|
C
|
2.304933
|
1.985757
|
1.830194
|
C
|
2.600831
|
1.578488
|
-1.830194
|
C
|
1.424527
|
1.960693
|
-2.594603
|
C
|
0.697531
|
2.961317
|
-1.830194
|
C
|
1.424527
|
3.197532
|
-0.593355
|
C
|
2.600831
|
2.342897
|
-0.593355
|
C
|
-3.031928
|
0.251706
|
-1.830194
|
C
|
-2.304933
|
-0.748918
|
-2.594603
|
C
|
-2.304933
|
-1.985757
|
-1.830194
|
C
|
-3.031928
|
-1.749542
|
-0.593355
|
C
|
-3.481237
|
-0.366714
|
-0.593355
|
C
|
-0.697531
|
2.961317
|
-1.830194
|
C
|
-1.424527
|
1.960693
|
-2.594603
|
C
|
-2.600831
|
1.578488
|
-1.830194
|
C
|
-2.600831
|
2.342897
|
-0.593355
|
C
|
-1.424527
|
3.197532
|
-0.593355
|
C
|
0.000000
|
-1.236839
|
-3.328030
|
C
|
-1.176304
|
-0.382204
|
-3.328030
|
C
|
-0.726996
|
1.000624
|
-3.328030
|
C
|
0.726996
|
1.000624
|
-3.328030
|
C
|
1.176304
|
-0.382204
|
-3.328030
|