Orca 5.0.2 RELEASE 1 2 3 4 5 14s9p3d1f 14s9p3d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s5p3d1f 5s3p2d1f 5s3p2d1f 3s2p1d 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 Cl Cl Cl P O O O O C C C C H H H H H H H H 1 1 1 2 3 3 3 3 4 4 4 4 5 5 5 5 5 5 5 5 249.37316099999998 AuxInfo=1/0/N:11,12,9,10,1,2,3,7,8,5,6,4/E:(1,2)(5,6,7)(10,11)/CRV:9.1,12.4/rA:20nClClClP4OOOO1CCCCHHHHHHHH/rB:;;;s4;s4;;s4;s4s7;s1s2s3s9;s5;s6;s9;s7;s11;s11;s11;s12;s12;s12;/rC:1.4278,-.8046,-1.433;2.9296,.6027,.577;1.0701,-1.4308,1.366;-1.4171,.4241,-.282;-2.2901,1.3353,.6879;-1.738,-1.0522,.2152;.6142,2.0972,-.3877;-1.5872,.6565,-1.739;.2674,.9395,.3092;1.3634,-.1324,.2076;-3.7087,1.4525,.5015;-1.7642,-2.2039,-.6386;.1944,1.2039,1.3675;.5363,1.955,-1.341;-4.2153,.5432,.8232;-3.9593,1.6605,-.5383;-4.0373,2.2838,1.1188;-1.764,-1.9351,-1.6933;-2.674,-2.7563,-.416;-.9018,-2.8318,-.4249; Method DFT(GTOs) Exchange WB97X-D3 Correlation WB97X-D3 PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.195728 ScalDFX 0.000000 ScalDFC 1.000000 ScalLDAC 1.000000 Perturbative correction 0.000000 Density functional embedding theory OFF Long-range corrected/Screened/Range-Separated Hybrid DFT is turned on Amount of maximum screened exact exchange 0.804272 Range separation parameter mu (erf(mu*r12)/r12) 0.250000 RI-approximation to the Coulomb term is turned on functions 684 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 130 Dim 528 ENuc 1351.5720808829 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 20 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 1.000e-04 Converg. threshold II (energy diff.) 1.000e-07 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF off CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 3.000e-11 Eh TCut 1.000e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-07 Eh 1-El. energy change 1.000e-04 Eh TolErr 1.000e-07 Smallest eigenvalue 1.662e-04 Time for diagonalization 0.089 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.042 sec Total time needed 0.133 sec 17 17 17 15 8 8 8 8 6 6 6 6 1 1 1 1 1 1 1 1 249.37316099999998 AuxInfo=1/0/N:11,12,9,10,1,2,3,7,8,5,6,4/E:(1,2)(5,6,7)(10,11)/CRV:9.1,12.4/rA:20nClClClP4OOOO1CCCCHHHHHHHH/rB:;;;s4;s4;;s4;s4s7;s1s2s3s9;s5;s6;s9;s7;s11;s11;s11;s12;s12;s12;/rC:1.4278,-.8046,-1.433;2.9296,.6027,.577;1.0701,-1.4308,1.366;-1.4171,.4241,-.282;-2.2901,1.3353,.6879;-1.738,-1.0522,.2152;.6142,2.0972,-.3877;-1.5872,.6565,-1.739;.2674,.9395,.3092;1.3634,-.1324,.2076;-3.7087,1.4525,.5015;-1.7642,-2.2039,-.6386;.1944,1.2039,1.3675;.5363,1.955,-1.341;-4.2153,.5432,.8232;-3.9593,1.6605,-.5383;-4.0373,2.2838,1.1188;-1.764,-1.9351,-1.6933;-2.674,-2.7563,-.416;-.9018,-2.8318,-.4249; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX DEFGRID2 scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 4 cpcm smd true smdsolvent "WATER" 249.37316099999998 AuxInfo=1/0/N:11,12,9,10,1,2,3,7,8,5,6,4/E:(1,2)(5,6,7)(10,11)/CRV:9.1,12.4/rA:20nClClClP4OOOO1CCCCHHHHHHHH/rB:;;;s4;s4;;s4;s4s7;s1s2s3s9;s5;s6;s9;s7;s11;s11;s11;s12;s12;s12;/rC:1.4278,-.8046,-1.433;2.9296,.6027,.577;1.0701,-1.4308,1.366;-1.4171,.4241,-.282;-2.2901,1.3353,.6879;-1.738,-1.0522,.2152;.6142,2.0972,-.3877;-1.5872,.6565,-1.739;.2674,.9395,.3092;1.3634,-.1324,.2076;-3.7087,1.4525,.5015;-1.7642,-2.2039,-.6386;.1944,1.2039,1.3675;.5363,1.955,-1.341;-4.2153,.5432,.8232;-3.9593,1.6605,-.5383;-4.0373,2.2838,1.1188;-1.764,-1.9351,-1.6933;-2.674,-2.7563,-.416;-.9018,-2.8318,-.4249; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl P O C H 2.3800 2.1200 1.5200 1.8500 1.2000 Solvent: WATER Soln 1.3328 Soln25 1.3323 Sola 0.0000 Solb 0.0000 Solg 0.0000 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 1164 GEPOL Volume 1635.7439 GEPOL Surface-area 858.8539 Calculating surface distance matrix done! ( 0.0s) Performing Cholesky decomposition & store done! ( 0.1s) Overall time for CPCM initialization 0.1s -2180.27283314 1351.57208088 -3531.84491402 -5698.88330072 2167.03838670 -0.02596427 -4355.91661111 2175.64377797 2.00212767 65.000035764835 65.000035764835 130.000071529671 -121.430736885274 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2765.9075 -2765.8716 -2765.7708 -2102.8520 -524.5850 -524.5376 -524.2834 -522.7997 -285.1438 -282.3674 -281.0388 -281.0251 -261.1885 -261.1533 -261.0503 -200.0367 -200.0060 -199.9041 -199.7766 -199.7731 -199.7388 -199.7349 -199.6355 -199.6315 -184.1546 -133.9071 -133.8767 -133.8363 -33.0216 -32.2338 -31.7042 -29.8741 -29.3088 -26.2770 -26.1658 -23.9142 -22.7824 -22.1824 -19.9401 -18.9327 -17.7182 -17.2677 -16.8633 -16.7355 -15.9868 -15.7525 -15.5487 -15.2310 -15.0429 -14.7601 -14.4315 -13.1713 -12.7035 -12.6037 -12.5104 -12.3106 -12.0783 -11.9051 -11.7180 -11.5998 -11.4623 -11.2725 -11.1135 -11.0488 -10.6122 1.2872 2.1064 2.3050 3.0418 3.6057 3.9409 4.2192 4.4035 4.5857 5.0240 5.2346 5.4526 5.7325 5.7963 6.1395 6.3500 6.4053 6.9702 7.0507 7.5434 7.6633 7.8685 8.0082 8.3330 8.5557 8.8806 9.1176 9.3814 9.5343 9.8025 9.9797 10.2916 10.3611 10.6157 10.8615 10.9557 11.0607 11.3496 11.5834 11.7380 12.0174 12.1582 12.3956 12.6365 12.6506 12.8186 13.0983 13.2697 13.3339 13.6100 13.7051 13.9171 14.2046 14.4089 14.6553 14.8376 14.9477 15.2783 15.3149 15.3950 15.7028 15.7798 15.8216 16.4725 16.5366 16.8888 17.4238 17.6929 18.7096 18.8561 19.0009 19.1554 19.5866 19.9542 20.1065 20.4017 20.7711 21.0762 21.3809 21.4866 21.6809 21.8201 22.4938 23.0878 23.3650 23.4786 23.7295 23.9787 24.1862 24.5135 24.8938 25.0518 25.3069 26.0796 26.3187 26.5516 26.7900 27.2588 27.5527 27.9029 28.0190 28.4686 28.9694 29.3692 29.5461 30.0600 30.3078 30.6102 30.9261 31.3712 31.5543 31.7853 31.8289 32.1157 32.4025 32.5359 32.8050 33.2425 33.6187 33.9152 34.5341 35.0064 35.0749 35.2766 35.8672 36.0599 36.5858 36.8822 37.4711 38.3297 38.6540 38.6933 39.0211 39.7002 40.5025 41.0112 41.1089 41.2532 41.6072 41.7627 41.9839 42.1374 42.3517 42.6800 43.0666 44.1061 44.3501 44.5098 45.1078 45.5440 46.0346 47.0072 47.3291 48.0779 48.4856 48.9339 49.5835 49.8193 50.0352 50.1696 50.5293 50.6559 50.8962 51.1917 51.4387 51.5839 51.7112 52.1125 52.6292 52.7563 52.8974 53.0658 53.4651 53.8127 54.1780 54.8847 54.9997 55.2322 55.6289 55.9835 56.2191 56.6975 56.7567 57.2347 57.3574 57.5240 57.8497 57.9365 58.1665 58.7400 58.9977 59.1467 59.3516 59.6090 59.8493 60.2722 60.4517 60.6286 60.8046 61.3893 61.8082 62.3394 62.4007 62.6022 62.8173 62.8804 63.0330 63.3794 63.3961 63.6770 64.0017 64.2768 64.4341 64.4931 64.8018 65.1365 65.3543 65.9330 66.1111 66.7786 67.0634 67.6460 67.9761 69.5089 69.6982 70.1515 71.0651 71.7323 72.0978 72.4707 72.5886 72.9740 73.2663 73.5801 74.2230 75.3011 75.9575 76.4647 77.2521 77.7318 78.1456 78.6837 78.9189 79.2859 79.9155 80.4664 81.1952 81.3414 81.8648 81.9533 82.3511 82.5353 82.7826 82.9749 83.3364 83.9310 84.1518 84.4570 84.6750 85.1182 85.4933 85.7566 86.1872 87.0012 87.2862 87.8422 88.2471 88.6391 89.4649 89.7320 89.9219 90.7274 91.1551 92.1942 92.4362 92.8612 93.2035 93.2857 93.5353 94.3402 94.8962 95.3464 95.5953 96.0614 96.7542 97.2365 97.3188 97.6608 97.8514 98.2936 99.1819 100.3565 100.7013 100.8663 101.1466 101.4927 101.7982 102.0624 102.0985 102.6102 102.9783 103.3428 104.6084 105.8519 106.2134 106.3944 106.7653 107.0912 107.3913 107.5183 108.0465 108.4961 109.9186 110.0732 110.9998 111.7169 112.0006 112.4400 112.6538 112.8651 113.3399 113.5029 114.1091 114.4639 114.5350 114.8475 115.7511 116.5922 116.7197 117.3047 117.3655 117.6435 118.3677 118.6131 118.9707 120.6545 121.1260 124.4151 124.7661 125.1544 125.4986 126.0823 126.9231 127.2733 129.7450 132.3969 132.7002 133.0459 134.9352 136.5776 136.9517 137.1763 137.4254 137.8791 138.2067 138.7915 139.1712 139.4704 139.9899 140.9668 141.8808 142.0281 143.3211 143.5529 143.8692 144.3433 145.6421 145.8827 146.1987 146.2271 146.5851 147.1245 147.8251 147.8464 148.2338 148.6958 150.6248 151.0890 151.5228 152.3001 152.7990 153.3743 153.5124 154.8074 154.8266 155.2919 155.6097 156.1977 161.1880 161.5006 161.7434 162.9871 164.7218 166.8988 167.7771 168.2845 169.6376 172.0540 175.8470 176.1285 177.1858 178.1455 179.2811 179.6958 182.2706 182.7062 183.5220 184.6361 185.4094 186.1130 187.3276 189.1430 189.8965 190.5424 190.8112 191.5186 193.5649 193.8297 196.7465 198.3918 199.4510 202.2120 203.0861 206.1668 217.2650 221.4464 221.8794 222.2831 222.3599 222.9647 223.5644 224.1465 224.9153 225.3771 225.6439 225.8812 226.7695 227.8238 228.7671 228.8781 233.0316 238.0016 294.9150 295.0049 295.3403 296.5270 297.3449 297.7373 309.7793 310.8792 311.8123 463.8280 598.6334 627.4481 642.3137 642.8916 696.1873 699.1989 700.0010 1193.9078 1200.5024 1201.4884 1203.0900 -0.0000000 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 Cl Cl Cl P O O O O C C C C H H H H H H H H -0.046264 -0.041264 -0.037880 0.820010 -0.349058 -0.352533 -0.368501 -0.643581 0.032149 0.081605 -0.119131 -0.086968 0.151736 0.243235 0.124614 0.115840 0.129870 0.116259 0.132155 0.097710 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 Cl Cl Cl P O O O O C C C C H H H H H H H H 17.0463 17.0413 17.0379 14.1800 8.3491 8.3525 8.3685 8.6436 5.9679 5.9184 6.1191 6.0870 0.8483 0.7568 0.8754 0.8842 0.8701 0.8837 0.8678 0.9023 17.0000 17.0000 17.0000 15.0000 8.0000 8.0000 8.0000 8.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 -0.0463 -0.0413 -0.0379 0.8200 -0.3491 -0.3525 -0.3685 -0.6436 0.0321 0.0816 -0.1191 -0.0870 0.1517 0.2432 0.1246 0.1158 0.1299 0.1163 0.1322 0.0977 1.2642 1.2506 1.2592 5.3711 2.1184 2.0694 2.0499 1.9350 3.9566 4.4944 3.8439 3.8243 1.0156 1.0102 0.9885 0.9956 0.9881 0.9998 0.9929 0.9968 1.2642 1.2506 1.2592 5.3711 2.1184 2.0694 2.0499 1.9350 3.9566 4.4944 3.8439 3.8243 1.0156 1.0102 0.9885 0.9956 0.9881 0.9998 0.9929 0.9968 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 1.1159 1.1597 1.1459 1.2205 1.1839 1.8531 0.8970 0.8671 0.8522 1.0047 0.9456 0.9798 0.9458 0.9783 0.9767 0.9765 0.9738 0.9802 0.9781 0 9 1 9 2 9 3 4 3 5 3 7 3 8 4 10 5 11 6 8 6 13 8 9 8 12 10 14 10 15 10 16 11 17 11 18 11 19 -0.009860586 -2180.282693725556 -21.92915 20.74013 -1.18902 1.92539 -2.80643 -0.88104 -1.41670 2.10603 0.68932 1.63254 4.14958