We followed the same procedure as for the NMR chemical shifts calculations for the other molecules. All the calculations can be found in DOI: 10.14469/hpc/9242. The shielding constant of CFCl3 is 195.6223 ppm. The chemical shifts of Shielding F3 and F4, F5 and F6 , F7 and F8 have to be arithmetically averaged.
Rotamer | Energy | Population | Shielding F1 | Shielding F2 | Shielding F3 | Shielding F4 | Shielding F5 | Shielding F6 | Shielding F7 | Shielding F8 |
---|---|---|---|---|---|---|---|---|---|---|
1 | -1066.673974 | 0.02982 | 332.67 | 339.4687 | 319.53 | 339.0775 | 321.9381 | 327.3935 | 321.7705 | 326.8805 |
2 | -1066.674261 | 0.04029 | 329.2611 | 340.9845 | 328.0452 | 332.3174 | 328.1963 | 328.9464 | 323.4477 | 327.154 |
3 | -1066.672908 | 0.00975 | 332.6621 | 339.4666 | 319.5348 | 339.0677 | 321.9432 | 327.387 | 321.7849 | 326.8836 |
5 | -1066.672512 | 0.00644 | 329.3055 | 341.0248 | 333.3801 | 328.0621 | 329.4989 | 327.7427 | 328.8296 | 321.9566 |
6 | -1066.672513 | 0.00644 | 332.9588 | 341.6135 | 320.6961 | 340.4271 | 328.608 | 328.919 | 322.0128 | 320.9213 |
7 | -1066.67376 | 0.02382 | 341.613 | 332.9585 | 340.4315 | 320.6917 | 328.9212 | 328.6108 | 320.9207 | 322.0134 |
8 | -1066.67376 | 0.02382 | 332.3707 | 340.359 | 318.8212 | 339.9462 | 319.75 | 330.0997 | 322.4069 | 324.7352 |
9 | -1066.672574 | 0.00687 | 340.3582 | 332.3706 | 339.9464 | 318.821 | 330.0993 | 319.7506 | 324.7353 | 322.4071 |
10 | -1066.672574 | 0.00687 | 329.2612 | 340.9845 | 328.0452 | 332.3174 | 328.9463 | 328.1963 | 323.4477 | 327.154 |
11 | -1066.674261 | 0.04029 | 332.5023 | 342.0813 | 324.7397 | 333.199 | 319.732 | 331.4497 | 329.3515 | 320.46 |
12 | -1066.672582 | 0.00693 | 341.197 | 330.2068 | 332.3471 | 326.4041 | 331.5075 | 319.8843 | 324.4518 | 325.0321 |
13 | -1066.672639 | 0.00735 | 332.2886 | 340.215 | 318.8625 | 339.7158 | 319.8126 | 328.7456 | 321.8323 | 324.9151 |
14 | -1066.672639 | 0.00735 | 340.2147 | 332.2888 | 318.8628 | 339.7156 | 319.8127 | 328.7455 | 321.8323 | 324.9153 |
15 | -1066.672925 | 0.00992 | 332.2505 | 340.1684 | 341.206 | 320.4242 | 327.8046 | 326.4297 | 321.2883 | 329.5833 |
16 | -1066.672926 | 0.00993 | 332.2508 | 340.1685 | 320.4248 | 341.2059 | 326.4298 | 327.8049 | 329.5835 | 321.2883 |
17 | -1066.671896 | 0.00337 | 340.6795 | 330.106 | 326.3163 | 332.2361 | 330.2227 | 321.0868 | 327.0352 | 323.1636 |
18 | -1066.671896 | 0.00337 | 330.1064 | 340.6792 | 326.3164 | 332.2361 | 321.0868 | 330.2228 | 327.0352 | 323.1635 |
19 | -1066.673809 | 0.02508 | 342.0212 | 332.5692 | 332.2807 | 324.6797 | 331.3026 | 319.5156 | 321.9426 | 327.8827 |
20 | -1066.673809 | 0.02508 | 332.569 | 342.0212 | 324.6797 | 332.2807 | 319.5156 | 331.3026 | 327.8827 | 321.9425 |
21 | -1066.672582 | 0.00693 | 330.2069 | 341.197 | 326.4042 | 332.3471 | 319.8842 | 331.5077 | 325.0319 | 324.4519 |
22 | -1066.671999 | 0.00376 | 341.1486 | 329.6084 | 334.1049 | 327.5142 | 324.8218 | 323.8625 | 324.7952 | 317.1302 |
23 | -1066.672064 | 0.00402 | 329.1493 | 335.8499 | 319.0919 | 325.0217 | 322.9673 | 326.1547 | 329.4142 | 322.2898 |
24 | -1066.672064 | 0.00402 | 335.8498 | 329.1496 | 325.0216 | 319.0919 | 326.1547 | 322.9672 | 322.2898 | 329.4142 |
25 | -1066.671992 | 0.00373 | 330.2657 | 335.654 | 323.5515 | 317.5757 | 327.1787 | 316.2128 | 324.3917 | 324.2543 |
26 | -1066.671992 | 0.00373 | 335.6541 | 330.2657 | 323.5516 | 317.5757 | 316.2128 | 327.1787 | 324.3917 | 324.2543 |
27 | -1066.670593 | 0.00086 | 340.8422 | 329.2249 | 332.4298 | 324.4598 | 328.667 | 328.9595 | 318.7327 | 322.7391 |
28 | -1066.670593 | 0.00086 | 329.2247 | 340.8421 | 332.4299 | 324.4602 | 328.9595 | 328.667 | 318.7326 | 322.7394 |
29 | -1066.672186 | 0.00457 | 335.6645 | 330.1793 | 323.2253 | 317.6586 | 317.3286 | 325.4245 | 326.6667 | 322.8103 |
30 | -1066.672186 | 0.00457 | 330.1795 | 335.6645 | 317.6589 | 323.2247 | 325.4245 | 317.3287 | 322.8103 | 326.6667 |
31 | -1066.671999 | 0.00376 | 341.1487 | 329.6083 | 334.1049 | 327.5143 | 323.8623 | 324.822 | 324.7952 | 317.1302 |
32 | -1066.67312 | 0.01218 | 329.801 | 341.5268 | 320.0866 | 338.1931 | 331.1977 | 320.4333 | 321.5979 | 326.9366 |
33 | -1066.673679 | 0.02188 | 341.8948 | 330.4777 | 322.216 | 336.9299 | 329.8533 | 321.1377 | 320.4693 | 327.5976 |
34 | -1066.67405 | 0.03229 | 330.2519 | 341.9029 | 322.2471 | 337.0006 | 329.952 | 320.9876 | 320.4423 | 327.4424 |
35 | -1066.671644 | 0.00259 | 335.8717 | 329.3233 | 324.8509 | 318.268 | 323.259 | 325.5567 | 323.6102 | 327.7704 |
36 | -1066.671644 | 0.00259 | 329.3237 | 335.8717 | 318.2678 | 324.8515 | 325.5566 | 323.2591 | 327.7704 | 323.6099 |
37 | -1066.670725 | 0.00099 | 329.4434 | 341.1546 | 327.3001 | 335.0734 | 324.4645 | 324.2665 | 316.2284 | 322.375 |
38 | -1066.670725 | 0.00099 | 341.1546 | 329.4433 | 327.3001 | 335.0732 | 324.4642 | 324.2667 | 316.2283 | 322.3751 |
39 | -1066.671442 | 0.00209 | 329.2188 | 340.9613 | 327.9472 | 333.0559 | 327.2143 | 329.9596 | 321.8729 | 328.8353 |
40 | -1066.671442 | 0.00209 | 340.9613 | 329.2188 | 333.0559 | 327.9472 | 327.2144 | 329.9596 | 328.8353 | 321.8729 |
41 | -1066.67312 | 0.01218 | 341.5269 | 329.8009 | 338.1929 | 320.0869 | 320.4334 | 331.1975 | 326.9363 | 321.5977 |
42 | -1066.671854 | 0.00323 | 341.5993 | 329.8185 | 339.9249 | 320.9575 | 316.9759 | 327.4009 | 321.8767 | 314.9558 |
43 | -1066.669683 | 0.00033 | 340.6346 | 328.6953 | 334.3713 | 325.4839 | 328.7625 | 329.888 | 317.1713 | 322.1381 |
44 | -1066.669688 | 0.00033 | 328.693 | 340.632 | 334.376 | 325.4842 | 329.8887 | 328.7707 | 317.1663 | 322.1351 |
45 | -1066.669671 | 0.00033 | 328.7066 | 340.6153 | 325.4713 | 334.3972 | 329.8762 | 328.7784 | 322.1278 | 317.1868 |
46 | -1066.673663 | 0.02152 | 333.0758 | 342.4501 | 332.5201 | 325.7102 | 321.7523 | 320.2795 | 327.9874 | 322.3001 |
47 | -1066.673663 | 0.02152 | 333.0757 | 342.4501 | 325.7101 | 332.5202 | 320.2796 | 321.7523 | 322.3002 | 327.9874 |
48 | -1066.673716 | 0.02275 | 333.1771 | 342.4069 | 325.9093 | 332.2364 | 321.6794 | 321.0862 | 323.5546 | 325.9674 |
49 | -1066.670759 | 0.00102 | 328.6568 | 335.5904 | 318.7182 | 321.353 | 324.3895 | 325.1414 | 319.0148 | 322.9077 |
50 | -1066.670759 | 0.00102 | 335.5904 | 328.6566 | 321.3531 | 318.718 | 325.1412 | 324.3895 | 322.9076 | 319.015 |
51 | -1066.671854 | 0.00323 | 329.8186 | 341.599 | 320.9574 | 339.925 | 327.4009 | 316.9758 | 314.9558 | 321.8769 |
54 | -1066.67204 | 0.00392 | 342.4005 | 332.2179 | 334.3646 | 326.701 | 326.2235 | 316.4307 | 314.8112 | 322.6269 |
56 | -1066.673354 | 0.01556 | 342.4078 | 332.3006 | 333.2231 | 326.4549 | 326.6026 | 315.6169 | 315.4473 | 325.0051 |
57 | -1066.673354 | 0.01556 | 332.3006 | 342.4078 | 333.2231 | 326.4549 | 326.6026 | 315.6169 | 315.4473 | 325.0051 |
58 | -1066.673708 | 0.02256 | 341.6358 | 330.016 | 339.2196 | 320.8084 | 316.842 | 326.788 | 323.9637 | 315.5733 |
59 | -1066.673708 | 0.02256 | 330.016 | 341.6358 | 320.8084 | 339.2196 | 326.788 | 316.842 | 315.5733 | 323.9637 |
60 | -1066.670434 | 0.00073 | 341.118 | 329.9755 | 326.342 | 332.0682 | 330.6006 | 319.8207 | 324.767 | 323.9476 |
61 | -1066.672358 | 0.00548 | 332.7604 | 342.1092 | 324.7017 | 332.8672 | 318.8588 | 331.988 | 329.1731 | 320.7106 |
62 | -1066.6691 | 0.00018 | 335.8294 | 328.2578 | 320.0885 | 322.4344 | 325.8508 | 324.3762 | 317.2636 | 322.2604 |
63 | -1066.671885 | 0.00333 | 332.1904 | 340.3272 | 320.0403 | 341.1879 | 326.2555 | 328.4444 | 329.4213 | 321.376 |
64 | -1066.671809 | 0.00308 | 340.2976 | 332.1721 | 341.1437 | 320.0143 | 328.4327 | 326.2234 | 321.3825 | 329.3824 |
65 | -1066.671083 | 0.00144 | 335.8944 | 329.9068 | 325.0989 | 319.4963 | 321.2945 | 320.3347 | 316.8843 | 325.49 |
66 | -1066.671687 | 0.00271 | 329.9067 | 335.8943 | 319.4963 | 325.099 | 320.3347 | 321.2945 | 325.49 | 316.8842 |
67 | -1066.671687 | 0.00271 | 332.2342 | 340.6949 | 340.4827 | 319.0889 | 327.122 | 317.5141 | 318.9644 | 317.0263 |
68 | -1066.673143 | 0.01247 | 332.2339 | 340.6952 | 319.0889 | 340.4826 | 327.1218 | 317.5147 | 317.0267 | 318.9641 |
69 | -1066.673143 | 0.01247 | 336.4759 | 329.6891 | 316.91 | 322.4893 | 333.5983 | 317.2545 | 320.9464 | 329.8049 |
70 | -1066.6691 | 0.00018 | 336.4758 | 329.6891 | 316.9098 | 322.4897 | 317.2548 | 333.5982 | 320.9463 | 329.8049 |
71 | -1066.6691 | 0.00018 | 328.2579 | 335.8294 | 322.434 | 320.0887 | 325.8506 | 324.3761 | 322.2603 | 317.2638 |
72 | -1066.669412 | 0.00025 | 335.8167 | 329.8702 | 324.4645 | 320.4141 | 321.4255 | 320.297 | 316.3111 | 323.1646 |
73 | -1066.669106 | 0.00018 | 328.2591 | 335.8287 | 320.0907 | 322.4309 | 325.8501 | 324.376 | 317.2651 | 322.2598 |
74 | -1066.6691 | 0.00018 | 328.2578 | 335.8294 | 320.0885 | 322.4344 | 324.3762 | 325.8508 | 317.2636 | 322.2604 |
75 | -1066.670452 | 0.00074 | 330.1055 | 335.5249 | 317.2264 | 323.4392 | 316.177 | 326.2528 | 323.2721 | 324.4601 |
77 | -1066.67323 | 0.01366 | 340.6891 | 332.1574 | 340.5229 | 319.2566 | 326.7193 | 317.6942 | 319.668 | 320.069 |
78 | -1066.673786 | 0.02448 | 332.551 | 339.5003 | 338.9597 | 319.3579 | 328.9212 | 319.9237 | 325.3907 | 315.8755 |
79 | -1066.673785 | 0.02446 | 339.5003 | 332.5509 | 319.3573 | 338.9604 | 328.921 | 319.9236 | 315.8756 | 325.3907 |
80 | -1066.669412 | 0.00025 | 329.87 | 335.8168 | 320.4142 | 324.4645 | 320.2972 | 321.4256 | 323.1648 | 316.3112 |
81 | -1066.673017 | 0.01093 | 332.5146 | 339.8596 | 339.4734 | 319.4189 | 321.3475 | 325.3183 | 319.0892 | 321.2841 |
82 | -1066.669778 | 0.00037 | 328.6157 | 340.5666 | 334.3045 | 325.5486 | 329.8566 | 328.8085 | 317.0321 | 322.1287 |
83 | -1066.673016 | 0.01092 | 332.5147 | 339.8596 | 339.4733 | 319.4189 | 325.3183 | 321.3475 | 319.0892 | 321.2841 |
84 | -1066.672445 | 0.00600 | 332.7433 | 342.1728 | 323.0294 | 334.8278 | 331.1064 | 320.3765 | 320.8589 | 321.9149 |
85 | -1066.672445 | 0.00600 | 342.1728 | 332.7433 | 334.8275 | 323.0296 | 331.1064 | 320.3763 | 321.9148 | 320.859 |
86 | -1066.670735 | 0.00100 | 330.4308 | 341.4638 | 325.9735 | 332.673 | 327.6586 | 318.0708 | 319.5561 | 318.9867 |
87 | -1066.670735 | 0.00100 | 330.4307 | 341.4638 | 325.9735 | 332.673 | 318.0709 | 327.6585 | 319.5561 | 318.9867 |
88 | -1066.670735 | 0.00100 | 341.4641 | 330.4306 | 332.6732 | 325.9733 | 318.0707 | 327.6587 | 318.9866 | 319.5562 |
90 | -1066.671962 | 0.00361 | 340.4253 | 332.0296 | 340.9686 | 320.6185 | 324.0203 | 323.7562 | 316.6635 | 325.9082 |
91 | -1066.669779 | 0.00037 | 340.5666 | 328.6159 | 334.3044 | 325.5482 | 328.8083 | 329.8564 | 317.0322 | 322.1287 |
93 | -1066.673022 | 0.01099 | 336.4922 | 329.1456 | 315.6327 | 323.8967 | 319.0839 | 323.0747 | 325.8416 | 323.5442 |
94 | -1066.672967 | 0.01037 | 336.5132 | 329.0861 | 323.8668 | 315.5606 | 323.0783 | 319.0031 | 323.5134 | 325.8515 |
95 | -1066.672245 | 0.00486 | 333.0187 | 338.7783 | 319.4727 | 338.2089 | 319.5222 | 326.8049 | 315.9438 | 321.6788 |
96 | -1066.672312 | 0.00522 | 339.115 | 332.9676 | 338.5277 | 319.3246 | 319.5698 | 327.754 | 322.0802 | 315.7846 |
97 | -1066.672312 | 0.00522 | 336.3689 | 329.5579 | 322.3096 | 315.942 | 333.2387 | 317.027 | 328.2439 | 322.5902 |
98 | -1066.669827 | 0.00039 | 329.5579 | 336.3689 | 322.3096 | 315.942 | 333.2387 | 317.027 | 328.2439 | 322.5902 |
99 | -1066.669827 | 0.00039 | 335.8557 | 329.3468 | 318.6472 | 324.8667 | 322.3509 | 326.7559 | 328.8208 | 322.6227 |
100 | -1066.672265 | 0.00497 | 335.8558 | 329.3467 | 324.8666 | 318.6472 | 322.3509 | 326.7559 | 322.6225 | 328.8211 |
101 | -1066.672265 | 0.00497 | 341.5044 | 330.5292 | 332.9622 | 325.9878 | 326.9824 | 318.0191 | 322.0914 | 320.0955 |
102 | -1066.67077 | 0.00104 | 340.6457 | 331.6423 | 341.0301 | 322.1179 | 323.9749 | 324.3143 | 316.0343 | 323.269 |
103 | -1066.672265 | 0.00497 | 330.5293 | 341.5045 | 325.9878 | 332.9621 | 326.9823 | 318.0194 | 320.0957 | 322.0915 |
104 | -1066.672266 | 0.00497 | 330.5293 | 341.5045 | 332.9627 | 325.9876 | 318.0184 | 326.9826 | 322.0908 | 320.0954 |
105 | -1066.6718 | 0.00305 | 329.7581 | 341.5548 | 338.1364 | 320.8647 | 319.7329 | 331.9831 | 328.8375 | 319.847 |
106 | -1066.6718 | 0.00305 | 341.5548 | 329.7581 | 338.1364 | 320.8647 | 319.7329 | 331.9831 | 328.8375 | 319.847 |
108 | -1066.67221 | 0.00469 | 341.8841 | 332.3965 | 322.3744 | 334.3191 | 321.4425 | 330.7557 | 319.33 | 320.6745 |
109 | -1066.67222 | 0.00474 | 341.8837 | 332.3989 | 334.3195 | 322.3701 | 321.4412 | 330.7571 | 320.6752 | 319.3343 |
110 | -1066.67077 | 0.00104 | 331.6418 | 340.6461 | 322.1183 | 341.0301 | 323.9748 | 324.3134 | 323.2708 | 316.0356 |
111 | -1066.671988 | 0.00371 | 333.2384 | 342.4083 | 325.9269 | 332.1852 | 320.9052 | 320.5964 | 323.0943 | 325.3769 |
112 | -1066.671358 | 0.00192 | 340.8215 | 330.0572 | 326.1654 | 332.4368 | 332.2424 | 321.0574 | 326.9332 | 315.1971 |
113 | -1066.671661 | 0.00264 | 329.6789 | 340.9733 | 321.6536 | 336.7257 | 331.7056 | 321.1483 | 321.5949 | 320.5157 |
114 | -1066.671661 | 0.00264 | 340.9734 | 329.6788 | 336.7257 | 321.6536 | 331.7056 | 321.1483 | 320.5157 | 321.5949 |
115 | -1066.668058 | 0.00006 | 337.7409 | 328.1303 | 333.1679 | 322.2929 | 316.5725 | 329.3953 | 315.0571 | 317.0126 |
116 | -1066.668059 | 0.00006 | 328.1304 | 337.741 | 322.2929 | 333.1681 | 316.5729 | 329.3952 | 317.0122 | 315.0569 |
117 | -1066.671399 | 0.00200 | 335.2683 | 330.4966 | 323.4134 | 317.9709 | 314.4861 | 322.8639 | 319.3375 | 321.9039 |
118 | -1066.671399 | 0.00200 | 330.4971 | 335.2678 | 317.9708 | 323.4136 | 322.8638 | 314.486 | 321.9039 | 319.3375 |
119 | -1066.671399 | 0.00200 | 335.268 | 330.4968 | 317.9708 | 323.4135 | 314.486 | 322.8638 | 321.9039 | 319.3375 |
120 | -1066.671358 | 0.00192 | 330.0572 | 340.8215 | 326.1654 | 332.4367 | 332.2424 | 321.0574 | 326.9332 | 315.1971 |
121 | -1066.671999 | 0.00376 | 332.2944 | 341.9728 | 322.4754 | 334.1111 | 321.5195 | 330.8916 | 319.3365 | 320.8678 |
123 | -1066.671999 | 0.00376 | 341.9727 | 332.2945 | 334.1112 | 322.4753 | 330.8918 | 321.5192 | 320.8676 | 319.3362 |
125 | -1066.67355 | 0.01911 | 342.9055 | 333.0233 | 332.0258 | 325.9086 | 317.8541 | 316.971 | 321.4897 | 319.8864 |
126 | -1066.671948 | 0.00356 | 329.641 | 336.2594 | 324.1264 | 316.8452 | 313.6503 | 328.7778 | 325.3989 | 315.6576 |
127 | -1066.671305 | 0.00181 | 336.2529 | 329.6433 | 316.8736 | 324.1287 | 328.7687 | 313.6928 | 315.6446 | 325.4 |
128 | -1066.671305 | 0.00181 | 335.5743 | 330.1808 | 323.4118 | 317.6411 | 327.9073 | 317.3899 | 326.2437 | 314.7608 |
129 | -1066.672256 | 0.00492 | 330.1808 | 335.5742 | 317.6412 | 323.4119 | 327.9073 | 317.3899 | 314.7607 | 326.2437 |
130 | -1066.672256 | 0.00492 | 341.0592 | 330.2364 | 326.265 | 332.261 | 319.5131 | 326.5348 | 319.8798 | 321.4634 |
131 | -1066.672257 | 0.00492 | 330.2362 | 341.0592 | 332.2612 | 326.2652 | 319.5131 | 326.5351 | 321.4633 | 319.8798 |
132 | -1066.66993 | 0.00043 | 335.1941 | 330.4452 | 318.0194 | 323.1801 | 323.5982 | 314.5529 | 319.0111 | 318.5088 |
133 | -1066.672088 | 0.00413 | 342.894 | 333.1117 | 332.1948 | 325.8932 | 317.8353 | 318.05 | 321.0343 | 316.652 |
134 | -1066.672089 | 0.00413 | 333.1119 | 342.8941 | 325.893 | 332.194 | 318.0495 | 317.8349 | 316.6513 | 321.0342 |
135 | -1066.670839 | 0.00111 | 330.3747 | 341.6517 | 323.5722 | 337.465 | 322.6871 | 320.1081 | 319.2141 | 325.1278 |
136 | -1066.670839 | 0.00111 | 330.3743 | 341.6519 | 323.5718 | 337.4653 | 320.1079 | 322.6869 | 319.2144 | 325.1274 |
137 | -1066.670839 | 0.00111 | 341.6514 | 330.3749 | 323.5721 | 337.4652 | 320.1084 | 322.6867 | 319.2143 | 325.1274 |
138 | -1066.66993 | 0.00043 | 335.1949 | 330.4444 | 323.1796 | 318.0198 | 314.553 | 323.5984 | 318.5087 | 319.011 |
139 | -1066.66993 | 0.00043 | 330.4437 | 335.1957 | 323.1796 | 318.0201 | 314.5529 | 323.5985 | 318.5088 | 319.011 |
140 | -1066.66993 | 0.00043 | 335.1957 | 330.4437 | 323.1796 | 318.0201 | 323.5985 | 314.5529 | 318.5088 | 319.011 |
141 | -1066.67134 | 0.00188 | 329.5278 | 341.1147 | 321.825 | 335.9797 | 331.558 | 322.0847 | 320.6008 | 318.7256 |
142 | -1066.670084 | 0.00050 | 340.5759 | 329.97 | 332.045 | 325.8689 | 320.4273 | 331.4128 | 314.75 | 325.0985 |
143 | -1066.671342 | 0.00189 | 341.112 | 329.5324 | 335.9786 | 321.8284 | 322.0798 | 331.5575 | 318.7306 | 320.6001 |
144 | -1066.671404 | 0.00201 | 330.1195 | 341.056 | 332.4254 | 326.2849 | 319.6908 | 331.8868 | 315.4914 | 325.6725 |
145 | -1066.671404 | 0.00201 | 341.0561 | 330.1195 | 332.4257 | 326.2851 | 331.8869 | 319.6909 | 315.4915 | 325.6725 |
146 | -1066.671404 | 0.00201 | 330.1194 | 341.0562 | 326.2852 | 332.4257 | 319.6909 | 331.887 | 325.6726 | 315.4914 |
147 | -1066.669782 | 0.00037 | 327.1998 | 338.5784 | 322.5969 | 333.2023 | 316.0584 | 329.8031 | 318.9183 | 315.1736 |
148 | -1066.669783 | 0.00037 | 338.5779 | 327.2 | 333.2026 | 322.5968 | 329.8034 | 316.0576 | 315.175 | 318.9192 |
149 | -1066.669783 | 0.00037 | 327.2 | 338.5779 | 333.2026 | 322.5968 | 329.8034 | 316.0576 | 315.175 | 318.9192 |
150 | -1066.669782 | 0.00037 | 327.1999 | 338.5782 | 322.5969 | 333.2027 | 329.8031 | 316.0579 | 318.9185 | 315.1741 |
151 | -1066.670084 | 0.00050 | 329.97 | 340.5759 | 325.8689 | 332.045 | 331.4128 | 320.4273 | 325.0985 | 314.75 |
152 | -1066.671381 | 0.00197 | 340.9505 | 329.6161 | 319.1978 | 339.1711 | 318.4674 | 319.0216 | 320.9116 | 316.8902 |
153 | -1066.670935 | 0.00123 | 336.216 | 329.6523 | 317.6271 | 324.3208 | 328.6247 | 314.4754 | 315.1465 | 322.9532 |
154 | -1066.670931 | 0.00123 | 336.2163 | 329.6516 | 317.6262 | 324.32 | 314.4732 | 328.6258 | 315.1462 | 322.9558 |
156 | -1066.670886 | 0.00117 | 335.4154 | 330.2295 | 323.7999 | 317.8329 | 316.0816 | 327.4175 | 324.9048 | 315.1628 |
157 | -1066.671256 | 0.00172 | 330.2011 | 335.4153 | 317.6622 | 323.745 | 327.5502 | 315.8993 | 315.0749 | 324.7707 |
158 | -1066.670622 | 0.00089 | 329.5222 | 335.7864 | 321.2675 | 324.6885 | 321.6954 | 321.3843 | 323.755 | 316.6933 |
159 | -1066.670041 | 0.00048 | 329.9202 | 335.6068 | 317.5879 | 323.1697 | 327.2307 | 316.9737 | 314.3486 | 324.2318 |
160 | -1066.670043 | 0.00048 | 335.6068 | 329.9203 | 323.1695 | 317.5883 | 316.9736 | 327.2306 | 324.2316 | 314.3489 |
161 | -1066.671381 | 0.00197 | 340.9506 | 329.6161 | 339.1712 | 319.1987 | 319.0222 | 318.4687 | 316.8906 | 320.911 |
162 | -1066.67134 | 0.00188 | 329.2114 | 336.5466 | 320.715 | 318.3806 | 318.3811 | 333.5537 | 320.6677 | 322.1964 |
165 | -1066.671395 | 0.00199 | 330.3401 | 335.3175 | 323.4585 | 317.4858 | 322.0416 | 315.3173 | 319.0609 | 321.0808 |
166 | -1066.671395 | 0.00199 | 335.3175 | 330.3401 | 317.4858 | 323.4585 | 315.3173 | 322.0416 | 321.0808 | 319.0609 |
167 | -1066.669686 | 0.00033 | 335.1482 | 326.3764 | 322.2701 | 317.8982 | 315.0844 | 327.3147 | 322.4921 | 323.161 |
168 | -1066.671056 | 0.00140 | 336.5928 | 329.4863 | 322.3768 | 316.555 | 334.2402 | 316.5503 | 329.388 | 320.8031 |
169 | -1066.671058 | 0.00140 | 329.4864 | 336.593 | 322.3786 | 316.5561 | 334.2397 | 316.5541 | 329.3879 | 320.8014 |
170 | -1066.67134 | 0.00188 | 336.5465 | 329.2115 | 318.3798 | 320.7153 | 333.5539 | 318.381 | 322.1964 | 320.6677 |
171 | -1066.67134 | 0.00188 | 329.2113 | 336.5471 | 320.7162 | 318.3806 | 333.5541 | 318.3815 | 320.6678 | 322.1962 |
172 | -1066.67254 | 0.00663 | 333.1384 | 342.8344 | 332.0041 | 325.6941 | 317.5242 | 317.0975 | 320.5138 | 317.8843 |
173 | -1066.671698 | 0.00274 | 340.3758 | 331.9351 | 340.8717 | 322.1417 | 324.598 | 324.2012 | 316.3812 | 324.4684 |
174 | -1066.671336 | 0.00187 | 341.1272 | 329.4752 | 336.0014 | 321.6847 | 322.0568 | 331.5433 | 318.6865 | 320.6471 |
175 | -1066.671336 | 0.00187 | 329.4753 | 341.1272 | 336.0015 | 321.6845 | 322.0568 | 331.5433 | 318.6865 | 320.6471 |
177 | -1066.670347 | 0.00066 | 341.6682 | 331.5216 | 338.8633 | 320.6007 | 325.5669 | 313.1552 | 311.6793 | 315.5243 |
178 | -1066.670347 | 0.00066 | 331.5216 | 341.6682 | 338.8633 | 320.6007 | 325.5669 | 313.1552 | 311.6793 | 315.5243 |
179 | -1066.669539 | 0.00028 | 328.3039 | 334.2418 | 318.3832 | 322.8232 | 317.4565 | 325.5309 | 323.3526 | 318.0863 |
180 | -1066.669539 | 0.00028 | 328.304 | 334.2417 | 318.3828 | 322.8235 | 325.5309 | 317.4564 | 323.3529 | 318.0862 |
181 | -1066.672553 | 0.00672 | 342.8341 | 333.1388 | 325.6921 | 331.9992 | 317.0951 | 317.5401 | 317.897 | 320.5174 |
182 | -1066.669797 | 0.00037 | 341.329 | 331.7828 | 330.019 | 315.9364 | 324.5363 | 315.7641 | 322.7921 | 326.588 |
183 | -1066.672022 | 0.00385 | 333.0325 | 342.3864 | 325.5862 | 332.6696 | 322.394 | 320.925 | 313.4622 | 326.7682 |
184 | -1066.672022 | 0.00385 | 342.3865 | 333.0324 | 325.5863 | 332.6696 | 320.925 | 322.394 | 313.4623 | 326.7682 |
185 | -1066.672022 | 0.00385 | 342.3864 | 333.0322 | 332.6701 | 325.5866 | 322.3938 | 320.9255 | 326.7686 | 313.4632 |
186 | -1066.670354 | 0.00067 | 329.4579 | 336.1162 | 320.1849 | 318.5484 | 333.2587 | 319.3099 | 319.3486 | 321.2305 |
187 | -1066.672238 | 0.00483 | 341.8052 | 331.9041 | 334.5087 | 318.8348 | 321.1648 | 331.184 | 320.4978 | 322.3208 |
188 | -1066.672664 | 0.00755 | 341.7999 | 331.8731 | 334.4037 | 318.815 | 331.124 | 321.2317 | 320.559 | 322.3162 |
189 | -1066.669752 | 0.00036 | 331.8889 | 341.3039 | 316.0574 | 329.9982 | 315.825 | 324.5741 | 326.5703 | 322.8596 |
190 | -1066.669797 | 0.00037 | 341.3291 | 331.7828 | 315.9363 | 330.019 | 324.5362 | 315.764 | 326.588 | 322.7922 |
191 | -1066.669243 | 0.00021 | 341.227 | 328.3013 | 331.9563 | 321.7828 | 327.2331 | 314.0924 | 317.3731 | 312.2573 |
192 | -1066.672726 | 0.00805 | 328.9955 | 336.5767 | 315.2812 | 324.1957 | 314.3496 | 320.1349 | 321.5469 | 320.2337 |
193 | -1066.67272 | 0.00800 | 336.578 | 328.9968 | 315.2987 | 324.1977 | 320.1285 | 314.3697 | 321.5411 | 320.2263 |
194 | -1066.67064 | 0.00090 | 333.0557 | 341.2164 | 319.9904 | 335.1328 | 314.3071 | 327.1272 | 316.3749 | 323.294 |
195 | -1066.67064 | 0.00090 | 341.2164 | 333.0557 | 335.1328 | 319.9904 | 314.3071 | 327.1272 | 323.294 | 316.3749 |
196 | -1066.669869 | 0.00040 | 341.2994 | 331.5615 | 315.6253 | 329.547 | 315.7628 | 324.4803 | 325.1901 | 323.9319 |
197 | -1066.669869 | 0.00040 | 331.5619 | 341.2991 | 315.6261 | 329.5466 | 315.7628 | 324.4805 | 325.1902 | 323.9319 |
198 | -1066.669243 | 0.00021 | 328.3014 | 341.2267 | 321.7826 | 331.956 | 314.0928 | 327.233 | 312.2575 | 317.3733 |
199 | -1066.669243 | 0.00021 | 341.2268 | 328.3015 | 331.9561 | 321.7827 | 314.0927 | 327.233 | 317.3732 | 312.2574 |
200 | -1066.666314 | 0.00001 | 334.6338 | 331.0256 | 317.6841 | 321.0936 | 314.5616 | 322.1011 | 319.0882 | 314.8878 |
201 | -1066.668351 | 0.00008 | 334.8821 | 331.0206 | 316.7337 | 314.8441 | 318.6291 | 316.4331 | 316.647 | 324.7077 |
202 | -1066.666301 | 0.00001 | 331.0266 | 334.6329 | 321.0939 | 317.6852 | 314.5617 | 322.0998 | 314.8899 | 319.0862 |
203 | -1066.671059 | 0.00140 | 336.5715 | 328.8644 | 315.3243 | 324.1756 | 320.4876 | 315.2551 | 321.1482 | 317.0249 |
204 | -1066.669845 | 0.00039 | 330.334 | 340.9881 | 319.6088 | 339.611 | 326.9281 | 318.0716 | 321.5061 | 319.54 |
205 | -1066.669845 | 0.00039 | 330.3348 | 340.9879 | 339.6112 | 319.6087 | 326.928 | 318.0715 | 319.5399 | 321.5063 |
206 | -1066.66946 | 0.00026 | 332.8594 | 341.2274 | 335.4189 | 320.7456 | 327.2796 | 315.8277 | 320.1989 | 316.4235 |
207 | -1066.66946 | 0.00026 | 341.2261 | 332.8598 | 320.745 | 335.4186 | 315.8274 | 327.2794 | 316.4227 | 320.1976 |
210 | -1066.668355 | 0.00008 | 334.8853 | 331.023 | 314.8422 | 316.7292 | 318.6276 | 316.4292 | 324.7103 | 316.6492 |
211 | -1066.668351 | 0.00008 | 331.0206 | 334.8823 | 314.8439 | 316.7338 | 316.4331 | 318.6289 | 324.7074 | 316.6471 |
212 | -1066.669312 | 0.00022 | 342.536 | 328.4116 | 333.7367 | 324.61 | 320.5867 | 328.5081 | 324.5232 | 316.783 |
213 | -1066.671701 | 0.00275 | 336.4058 | 329.2669 | 316.2822 | 324.0554 | 322.7209 | 319.7147 | 326.6734 | 313.8687 |
214 | -1066.671702 | 0.00275 | 336.4066 | 329.2673 | 316.2845 | 324.0546 | 319.7133 | 322.7213 | 326.6731 | 313.87 |
215 | -1066.670338 | 0.00066 | 329.4059 | 336.1558 | 318.4053 | 320.2272 | 319.3795 | 333.1671 | 321.1863 | 319.2813 |
216 | -1066.670338 | 0.00066 | 336.1558 | 329.4059 | 318.4053 | 320.2272 | 319.3795 | 333.1671 | 321.1863 | 319.2813 |
217 | -1066.669564 | 0.00029 | 342.2888 | 327.4234 | 333.4638 | 324.313 | 328.6939 | 318.9333 | 324.3736 | 319.579 |
218 | -1066.669564 | 0.00029 | 342.2887 | 327.4234 | 333.4638 | 324.313 | 318.9333 | 328.6941 | 324.3737 | 319.5792 |
219 | -1066.668211 | 0.00007 | 327.678 | 334.682 | 318.1259 | 322.4222 | 316.6534 | 326.2172 | 323.8439 | 318.2817 |
220 | -1066.668212 | 0.00007 | 334.682 | 327.678 | 322.4222 | 318.1259 | 326.2171 | 316.6533 | 318.282 | 323.8437 |
222 | -1066.667513 | 0.00003 | 340.4081 | 334.9505 | 327.8776 | 315.2501 | 323.9719 | 317.7686 | 321.2268 | 314.6252 |
223 | -1066.66927 | 0.00021 | 342.5168 | 328.3678 | 333.7084 | 324.6474 | 328.4566 | 320.6243 | 324.5891 | 316.684 |
224 | -1066.669312 | 0.00022 | 328.4116 | 342.5361 | 324.6101 | 333.7367 | 320.5865 | 328.5079 | 316.7829 | 324.5232 |
225 | -1066.667561 | 0.00004 | 332.9205 | 341.4443 | 313.7729 | 325.5476 | 318.6003 | 324.626 | 317.0313 | 321.9307 |
227 | -1066.667556 | 0.00004 | 341.4445 | 332.9207 | 313.7739 | 325.5484 | 318.6009 | 324.6269 | 317.0312 | 321.9304 |
228 | -1066.66756 | 0.00004 | 332.9207 | 341.4441 | 325.5478 | 313.7731 | 324.6262 | 318.6004 | 321.9308 | 317.0312 |
229 | -1066.667499 | 0.00003 | 340.4085 | 334.9383 | 327.8835 | 315.2449 | 317.7602 | 323.9623 | 321.2391 | 314.6249 |
231 | -1066.667513 | 0.00003 | 334.9505 | 340.4081 | 327.8776 | 315.2501 | 323.9719 | 317.7686 | 321.2268 | 314.6252 |
232 | -1066.668589 | 0.00011 | 334.4685 | 327.335 | 318.2795 | 322.4521 | 316.7425 | 323.1703 | 313.8799 | 319.7156 |
233 | -1066.666313 | 0.00001 | 328.6204 | 337.0656 | 314.5054 | 312.6365 | 319.9785 | 323.3426 | 314.219 | 321.6485 |
234 | -1066.667844 | 0.00005 | 342.2433 | 328.1554 | 333.4173 | 324.1843 | 320.2583 | 328.7973 | 324.628 | 316.1812 |
235 | -1066.667844 | 0.00005 | 328.1554 | 342.2433 | 324.1844 | 333.4173 | 320.2582 | 328.7974 | 316.1814 | 324.628 |
236 | -1066.668597 | 0.00011 | 332.0425 | 341.2992 | 330.1268 | 315.5386 | 325.3386 | 315.4942 | 322.9774 | 326.2309 |
237 | -1066.668597 | 0.00011 | 341.2992 | 332.0425 | 330.1268 | 315.5386 | 315.4942 | 325.3386 | 322.9774 | 326.2309 |
238 | -1066.666517 | 0.00001 | 335.5826 | 330.0526 | 319.2402 | 318.2775 | 310.7794 | 320.7783 | 309.0428 | 315.0501 |
239 | -1066.666517 | 0.00001 | 335.5825 | 330.0527 | 319.2403 | 318.2775 | 320.7782 | 310.7792 | 309.0433 | 315.0499 |
240 | -1066.668378 | 0.00008 | 340.9372 | 330.3855 | 319.6445 | 339.5995 | 318.9791 | 327.2278 | 322.7479 | 317.0265 |
241 | -1066.668377 | 0.00008 | 330.3856 | 340.9373 | 319.6444 | 339.5995 | 318.9791 | 327.2277 | 322.7478 | 317.0266 |
242 | -1066.667531 | 0.00003 | 327.5891 | 334.6498 | 313.7216 | 311.6469 | 324.1642 | 320.2112 | 316.81 | 322.2085 |
243 | -1066.667531 | 0.00003 | 327.5889 | 334.6497 | 313.7217 | 311.6467 | 320.211 | 324.1639 | 316.81 | 322.2085 |
Average | 335.179392 | 336.7111537 | 327.3155206 | 328.7902673 | 324.282765 | 323.4742257 | 322.1406966 | 322.9919286 | ||