Determine point group
| Number of atoms | 96 |
| Sum formula | C60 F36 |
| Molecular weight | 1403.94 |
| Rotational Analysis | |
|---|---|
| Rotational Constant A (GHz) | 0.0301 |
| Rotational Constant B (GHz) | 0.0301 |
| Rotational Constant C (GHz) | 0.0301 |
| Classification : Spherical top | |
| Symmetry adapted cartesian coordinates | |||||
|---|---|---|---|---|---|
| Atom Number | Atomic Symbol | Atomic Number | x-Coordinate (Angstrom) | y-Coordinate (Angstrom) | z-Coordinate (Angstrom) |
| 1 | C | 6 | 3.457375 | 0.683505 | 0.000000 |
| 2 | C | 6 | 3.008290 | 1.410140 | 1.175720 |
| 3 | C | 6 | 2.281654 | 2.585860 | 0.726635 |
| 4 | C | 6 | 3.008290 | 1.410140 | -1.175720 |
| 5 | C | 6 | 2.281654 | 2.585860 | -0.726635 |
| 6 | C | 6 | 3.457375 | -0.683505 | 0.000000 |
| 7 | C | 6 | 3.008290 | -1.410140 | -1.175720 |
| 8 | C | 6 | 2.281654 | -2.585860 | -0.726635 |
| 9 | C | 6 | 3.008290 | -1.410140 | 1.175720 |
| 10 | C | 6 | 2.281654 | -2.585860 | 0.726635 |
| 11 | C | 6 | 2.585860 | 0.726635 | 2.281654 |
| 12 | C | 6 | 2.585860 | -0.726635 | 2.281654 |
| 13 | C | 6 | 1.410140 | -1.175720 | 3.008290 |
| 14 | C | 6 | 1.410140 | 1.175720 | 3.008290 |
| 15 | C | 6 | 0.683505 | 0.000000 | 3.457375 |
| 16 | C | 6 | 1.175720 | 3.008290 | 1.410140 |
| 17 | C | 6 | 0.726635 | 2.281654 | 2.585860 |
| 18 | C | 6 | -0.726635 | 2.281654 | 2.585860 |
| 19 | C | 6 | 0.000000 | 3.457375 | 0.683505 |
| 20 | C | 6 | -1.175720 | 3.008290 | 1.410140 |
| 21 | C | 6 | 2.585860 | 0.726635 | -2.281654 |
| 22 | C | 6 | 1.410140 | 1.175720 | -3.008290 |
| 23 | C | 6 | 0.683505 | 0.000000 | -3.457375 |
| 24 | C | 6 | 2.585860 | -0.726635 | -2.281654 |
| 25 | C | 6 | 1.410140 | -1.175720 | -3.008290 |
| 26 | C | 6 | 1.175720 | 3.008290 | -1.410140 |
| 27 | C | 6 | 0.000000 | 3.457375 | -0.683505 |
| 28 | C | 6 | -1.175720 | 3.008290 | -1.410140 |
| 29 | C | 6 | 0.726635 | 2.281654 | -2.585860 |
| 30 | C | 6 | -0.726635 | 2.281654 | -2.585860 |
| 31 | C | 6 | -3.457375 | -0.683505 | 0.000000 |
| 32 | C | 6 | -3.008290 | -1.410140 | 1.175720 |
| 33 | C | 6 | -2.281654 | -2.585860 | 0.726635 |
| 34 | C | 6 | -3.008290 | -1.410140 | -1.175720 |
| 35 | C | 6 | -2.281654 | -2.585860 | -0.726635 |
| 36 | C | 6 | -3.457375 | 0.683505 | 0.000000 |
| 37 | C | 6 | -3.008290 | 1.410140 | -1.175720 |
| 38 | C | 6 | -2.281654 | 2.585860 | -0.726635 |
| 39 | C | 6 | -3.008290 | 1.410140 | 1.175720 |
| 40 | C | 6 | -2.281654 | 2.585860 | 0.726635 |
| 41 | C | 6 | -2.585860 | -0.726635 | 2.281654 |
| 42 | C | 6 | -2.585860 | 0.726635 | 2.281654 |
| 43 | C | 6 | -1.410140 | 1.175720 | 3.008290 |
| 44 | C | 6 | -1.410140 | -1.175720 | 3.008290 |
| 45 | C | 6 | -0.683505 | 0.000000 | 3.457375 |
| 46 | C | 6 | -1.175720 | -3.008290 | 1.410140 |
| 47 | C | 6 | -0.726635 | -2.281654 | 2.585860 |
| 48 | C | 6 | 0.726635 | -2.281654 | 2.585860 |
| 49 | C | 6 | 0.000000 | -3.457375 | 0.683505 |
| 50 | C | 6 | 1.175720 | -3.008290 | 1.410140 |
| 51 | C | 6 | -2.585860 | -0.726635 | -2.281654 |
| 52 | C | 6 | -1.410140 | -1.175720 | -3.008290 |
| 53 | C | 6 | -0.683505 | 0.000000 | -3.457375 |
| 54 | C | 6 | -2.585860 | 0.726635 | -2.281654 |
| 55 | C | 6 | -1.410140 | 1.175720 | -3.008290 |
| 56 | C | 6 | -1.175720 | -3.008290 | -1.410140 |
| 57 | C | 6 | 0.000000 | -3.457375 | -0.683505 |
| 58 | C | 6 | 1.175720 | -3.008290 | -1.410140 |
| 59 | C | 6 | -0.726635 | -2.281654 | -2.585860 |
| 60 | C | 6 | 0.726635 | -2.281654 | -2.585860 |
| 61 | F | 9 | 4.777534 | 0.944493 | 0.000000 |
| 62 | F | 9 | 4.156971 | 1.948586 | -1.624656 |
| 63 | F | 9 | 3.152878 | 3.573242 | -1.004093 |
| 64 | F | 9 | 4.777534 | -0.944493 | 0.000000 |
| 65 | F | 9 | 4.156971 | -1.948586 | 1.624656 |
| 66 | F | 9 | 3.152878 | -3.573242 | 1.004093 |
| 67 | F | 9 | 3.573242 | -1.004093 | 3.152878 |
| 68 | F | 9 | 1.948586 | -1.624656 | 4.156971 |
| 69 | F | 9 | 0.944493 | 0.000000 | 4.777534 |
| 70 | F | 9 | -1.004093 | 3.152878 | 3.573242 |
| 71 | F | 9 | 0.000000 | 4.777534 | 0.944493 |
| 72 | F | 9 | -1.624656 | 4.156971 | 1.948586 |
| 73 | F | 9 | 3.573242 | 1.004093 | -3.152878 |
| 74 | F | 9 | 1.948586 | 1.624656 | -4.156971 |
| 75 | F | 9 | 0.944493 | 0.000000 | -4.777534 |
| 76 | F | 9 | 1.624656 | 4.156971 | -1.948586 |
| 77 | F | 9 | 0.000000 | 4.777534 | -0.944493 |
| 78 | F | 9 | 1.004093 | 3.152878 | -3.573242 |
| 79 | F | 9 | -4.777534 | -0.944493 | 0.000000 |
| 80 | F | 9 | -4.156971 | -1.948586 | -1.624656 |
| 81 | F | 9 | -3.152878 | -3.573242 | -1.004093 |
| 82 | F | 9 | -4.777534 | 0.944493 | 0.000000 |
| 83 | F | 9 | -4.156971 | 1.948586 | 1.624656 |
| 84 | F | 9 | -3.152878 | 3.573242 | 1.004093 |
| 85 | F | 9 | -3.573242 | 1.004093 | 3.152878 |
| 86 | F | 9 | -1.948586 | 1.624656 | 4.156971 |
| 87 | F | 9 | -0.944493 | 0.000000 | 4.777534 |
| 88 | F | 9 | 1.004093 | -3.152878 | 3.573242 |
| 89 | F | 9 | 0.000000 | -4.777534 | 0.944493 |
| 90 | F | 9 | 1.624656 | -4.156971 | 1.948586 |
| 91 | F | 9 | -3.573242 | -1.004093 | -3.152878 |
| 92 | F | 9 | -1.948586 | -1.624656 | -4.156971 |
| 93 | F | 9 | -0.944493 | 0.000000 | -4.777534 |
| 94 | F | 9 | -1.624656 | -4.156971 | -1.948586 |
| 95 | F | 9 | 0.000000 | -4.777534 | -0.944493 |
| 96 | F | 9 | -1.004093 | -3.152878 | -3.573242 |
| Determined point group | T |
|---|---|
| Subgroups | C2 , C3 , D2 |
 3N representation |
|||||
|---|---|---|---|---|---|
| group | E | 4C3 | 4(C3)2 | 3C2 | - |
| T | 288 | 0 | 0 | 0 | Submit |
| C2 | 288 | - | - | 0 | Submit |
| C3 | 288 | 0 | 0 | - | Submit |
| D2 | 288 | - | - | 0 | Submit |
