Orca 5.0.4 RELEASE 1 2 3 4 5 6 14s9p3d1f 14s9p3d1f 14s9p3d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 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 20 21 22 Cl S S P O O C C C C C H H H H H H H H H H H H 1 2 2 3 4 4 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 222.60906099999994 AuxInfo=1/0/N:9,10,7,8,11,1,5,6,4,3,2/E:(1,2)(3,4)(7,8)/CRV:9.4,10.1/rA:23nClSS1P4OOCCCCCHHHHHHHHHHHH/rB:;;s2s3;s4;s4;s5;s6;s7;s8;s1s2;s7;s7;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;/rC:-3.0406,-.346,.1814;-.7698,1.4088,-.6843;.6776,-.3472,1.8548;.6294,-.0107,-.0369;.3615,-1.2512,-.9934;1.9515,.6036,-.699;.6447,-2.6067,-.6095;2.6481,1.6989,-.0899;-.6219,-3.313,-.1905;4.1342,1.4716,-.2256;-2.0934,1.1248,.5005;1.0883,-3.0716,-1.49;1.3848,-2.6319,.1932;2.341,2.6187,-.5925;2.3721,1.7836,.9645;-1.0407,-2.8643,.7088;-1.3736,-3.2747,-.9779;-.4037,-4.3603,.0202;4.4444,.5761,.3113;4.4308,1.3711,-1.269;4.6729,2.3203,.1964;-1.6806,1.0523,1.5049;-2.758,1.9833,.4322; 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 679 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 122 Dim 553 ENuc 1162.8787256594 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 2.624e-04 Time for diagonalization 0.125 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.058 sec Total time needed 0.186 sec 17 16 16 15 8 8 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 222.60906099999994 AuxInfo=1/0/N:9,10,7,8,11,1,5,6,4,3,2/E:(1,2)(3,4)(7,8)/CRV:9.4,10.1/rA:23nClSS1P4OOCCCCCHHHHHHHHHHHH/rB:;;s2s3;s4;s4;s5;s6;s7;s8;s1s2;s7;s7;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;/rC:-3.0406,-.346,.1814;-.7698,1.4088,-.6843;.6776,-.3472,1.8548;.6294,-.0107,-.0369;.3615,-1.2512,-.9934;1.9515,.6036,-.699;.6447,-2.6067,-.6095;2.6481,1.6989,-.0899;-.6219,-3.313,-.1905;4.1342,1.4716,-.2256;-2.0934,1.1248,.5005;1.0883,-3.0716,-1.49;1.3848,-2.6319,.1932;2.341,2.6187,-.5925;2.3721,1.7836,.9645;-1.0407,-2.8643,.7088;-1.3736,-3.2747,-.9779;-.4037,-4.3603,.0202;4.4444,.5761,.3113;4.4308,1.3711,-1.269;4.6729,2.3203,.1964;-1.6806,1.0523,1.5049;-2.758,1.9833,.4322; 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 4 222.60906099999994 AuxInfo=1/0/N:9,10,7,8,11,1,5,6,4,3,2/E:(1,2)(3,4)(7,8)/CRV:9.4,10.1/rA:23nClSS1P4OOCCCCCHHHHHHHHHHHH/rB:;;s2s3;s4;s4;s5;s6;s7;s8;s1s2;s7;s7;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;/rC:-3.0406,-.346,.1814;-.7698,1.4088,-.6843;.6776,-.3472,1.8548;.6294,-.0107,-.0369;.3615,-1.2512,-.9934;1.9515,.6036,-.699;.6447,-2.6067,-.6095;2.6481,1.6989,-.0899;-.6219,-3.313,-.1905;4.1342,1.4716,-.2256;-2.0934,1.1248,.5005;1.0883,-3.0716,-1.49;1.3848,-2.6319,.1932;2.341,2.6187,-.5925;2.3721,1.7836,.9645;-1.0407,-2.8643,.7088;-1.3736,-3.2747,-.9779;-.4037,-4.3603,.0202;4.4444,.5761,.3113;4.4308,1.3711,-1.269;4.6729,2.3203,.1964;-1.6806,1.0523,1.5049;-2.758,1.9833,.4322; -1946.31980202 1162.87872566 -3109.19852768 -4997.85010590 1888.65157823 -3888.34461295 1942.02481093 2.00221160 60.999986804698 60.999986804698 121.999973609396 -109.906754884824 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2765.0403 -2421.0081 -2419.4190 -2103.1399 -524.4775 -524.4295 -282.2768 -281.4784 -281.4225 -279.6474 -279.4041 -260.3108 -219.5586 -218.0009 -199.1535 -198.9049 -198.8997 -184.4162 -163.8653 -163.7811 -163.6417 -162.3076 -162.1537 -162.1498 -134.1503 -134.1399 -134.1063 -32.7634 -31.6863 -27.0059 -24.9943 -24.0652 -23.9240 -22.8712 -21.1491 -20.4559 -20.2087 -18.3373 -17.2638 -16.5117 -16.2341 -15.9713 -15.4132 -14.8334 -14.5787 -14.5125 -14.1174 -13.5937 -13.3833 -13.1593 -13.0810 -12.2892 -12.0506 -11.7163 -11.5324 -11.0701 -10.8572 -10.7090 -9.9563 -9.3421 -9.1842 1.5949 2.5315 2.9289 2.9759 3.2441 3.5101 3.8385 4.0332 4.3563 4.4584 4.6878 4.7142 5.0446 5.1988 5.2930 5.4924 5.5929 5.7883 5.9090 5.9768 6.3600 6.7910 6.9762 7.1621 7.4376 7.5043 7.9895 8.1653 8.3183 8.4884 8.5183 8.9338 9.0631 9.2812 9.3733 9.6774 10.0804 10.3301 10.4948 10.7757 11.1782 11.2569 11.5789 11.9622 12.1384 12.2993 12.3857 12.7839 12.8088 12.9792 13.2052 13.2670 13.3157 13.3894 13.5445 13.7267 13.8835 13.9783 14.3345 14.5463 14.6078 14.7490 15.0450 15.0787 15.1121 15.2549 15.5661 15.6274 15.7774 16.0574 16.3583 16.6557 16.7050 17.1555 17.3699 17.5263 17.9863 18.3184 18.4176 18.8477 19.5066 19.8006 20.0494 20.0928 20.4147 20.5154 21.1704 21.3378 22.0011 22.2363 22.7481 23.0218 23.2623 23.3660 23.7764 23.8723 24.3371 24.5509 25.0189 25.4534 25.5975 25.8762 26.0937 26.3256 26.7355 26.8498 27.0372 27.5023 27.6035 27.7464 27.8876 28.2528 28.6423 28.7874 29.0717 29.6036 29.6618 30.4061 30.6002 30.8853 31.0908 31.4189 31.5834 31.8954 32.1195 32.3872 32.6562 32.7834 33.1198 33.5467 33.9411 34.1377 34.3518 34.5882 34.8768 35.3465 35.6034 36.3455 36.5950 37.0904 37.3928 37.7541 38.3515 38.5660 38.7378 39.5205 39.6774 39.9788 40.1603 40.3766 40.7965 40.9752 41.0701 41.2086 41.5092 41.6276 41.7162 42.0421 42.3505 42.4678 42.6142 43.0591 43.1390 43.2173 43.5033 43.7974 44.2731 44.3511 44.6086 44.8315 44.9026 45.1748 45.3174 45.4610 45.6643 45.9094 46.1270 46.3202 46.6848 46.9603 47.3118 47.5365 47.8882 48.4208 48.6071 48.9384 49.3843 49.8815 50.5020 50.6433 50.9005 51.2392 51.5496 51.9835 52.3064 52.6980 52.8316 53.0125 53.4773 54.1438 54.2209 54.6346 54.7599 55.5253 55.8201 55.8922 56.3070 56.9792 57.2928 57.6096 57.9492 58.1423 59.0699 59.1958 59.2132 59.5533 59.6866 60.0575 60.4595 60.6204 61.2964 61.8980 62.1897 62.5119 63.2693 63.7752 64.0916 64.2100 64.3915 64.8652 64.9806 65.5015 65.7149 66.1408 66.5073 66.8443 67.2844 67.4653 68.6118 69.8506 70.1576 70.3702 70.5606 70.7871 71.1567 71.7098 71.8135 71.9892 72.0713 72.3953 73.5204 73.8130 74.0779 74.3290 75.1661 75.3192 76.4063 76.7430 77.5396 77.9839 78.1749 78.5977 78.8852 79.0594 79.6134 80.1041 80.4616 80.8947 80.9835 81.3629 82.2885 82.7589 83.0341 83.4692 83.5551 83.9038 83.9803 84.2935 84.5668 84.7365 85.3364 85.5299 86.0769 86.2242 86.4662 86.5837 86.8287 87.5360 87.6308 87.9923 88.4473 88.7746 89.2677 89.3348 89.9180 90.1240 90.4181 90.6863 92.0917 92.3967 92.6458 93.1267 93.4982 93.8287 94.3025 94.5179 96.9412 97.1578 97.4000 97.5505 97.6607 98.2309 98.3929 98.6048 99.3103 99.6704 100.4777 100.6268 100.8306 100.9991 101.2105 101.2970 101.3687 102.0874 102.3182 102.5481 103.6789 104.6720 105.0064 105.0743 105.7805 106.0125 106.3896 106.6241 106.8444 107.1222 107.5116 108.0551 108.4861 109.0584 109.5157 109.8254 110.3544 110.6849 110.8697 111.1200 111.4905 112.3333 112.7565 112.8077 113.0216 113.0438 113.3287 113.8952 114.1660 114.3724 114.5454 114.7033 115.0563 116.3094 116.7692 116.9420 117.4890 118.4037 118.6640 119.3554 119.5231 120.9225 121.0656 121.4590 122.2466 122.6015 122.6871 125.8489 126.1598 126.7215 127.0077 128.0718 128.1660 128.8650 129.1915 129.3691 130.0295 130.6646 132.5515 132.8898 133.1805 133.3954 133.8578 134.1768 134.4517 134.8833 135.8371 136.2539 137.0808 137.8943 138.4076 141.6898 142.2297 142.4962 142.9349 143.0168 143.1635 143.2693 144.1150 144.3109 145.5268 146.9933 147.0568 147.2725 147.4299 147.7305 147.8130 147.9750 148.0443 148.2578 149.6397 150.0351 150.3203 150.4666 150.8456 151.8258 152.7456 153.6121 153.8094 154.0605 154.4792 155.4853 156.1189 156.2560 156.6596 157.7597 157.8903 160.1492 161.1782 161.9265 163.3476 166.2946 166.3569 168.2165 169.5247 171.3991 173.2704 179.6921 181.6594 182.2165 185.1831 185.7575 186.6228 187.2786 187.3914 187.6220 188.1049 189.0466 189.9578 190.0852 191.2768 191.9999 192.7080 194.6347 196.1879 196.7220 199.8510 201.2371 210.5067 218.6559 222.3247 223.1720 224.3619 225.5878 227.5851 231.1117 246.2575 247.2230 247.6544 254.7029 258.2946 260.1933 296.0268 297.6632 309.9954 432.4972 521.6358 527.9037 622.5569 636.3384 636.6769 645.9497 646.3859 692.8551 1202.9061 1203.1759 0.0000000 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 Cl S S P O O C C C C C H H H H H H H H H H H H -0.112553 -0.105282 -0.399843 0.609026 -0.300413 -0.322649 0.040683 0.017664 -0.233354 -0.222730 -0.122856 0.095304 0.080705 0.092886 0.085774 0.080613 0.091103 0.084106 0.083965 0.086783 0.077061 0.145525 0.148480 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 Cl S S P O O C C C C C H H H H H H H H H H H H 17.1126 16.1053 16.3998 14.3910 8.3004 8.3226 5.9593 5.9823 6.2334 6.2227 6.1229 0.9047 0.9193 0.9071 0.9142 0.9194 0.9089 0.9159 0.9160 0.9132 0.9229 0.8545 0.8515 17.0000 16.0000 16.0000 15.0000 8.0000 8.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 -0.1126 -0.1053 -0.3998 0.6090 -0.3004 -0.3226 0.0407 0.0177 -0.2334 -0.2227 -0.1229 0.0953 0.0807 0.0929 0.0858 0.0806 0.0911 0.0841 0.0840 0.0868 0.0771 0.1455 0.1485 1.1541 2.3287 2.0379 5.4526 2.1366 2.1298 3.8618 3.8780 3.9194 3.9600 4.0637 0.9945 1.0148 0.9931 1.0121 1.0217 1.0045 1.0142 1.0107 1.0049 1.0091 1.0269 0.9895 1.1541 2.3287 2.0379 5.4526 2.1366 2.1298 3.8618 3.8780 3.9194 3.9600 4.0637 0.9945 1.0148 0.9931 1.0121 1.0217 1.0045 1.0142 1.0107 1.0049 1.0091 1.0269 0.9895 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 1.0774 1.0891 1.0585 1.8106 1.2231 1.1852 0.8679 0.8788 0.9692 0.9797 0.9889 0.9830 0.9780 0.9714 0.9830 0.9877 0.9872 0.9867 0.9908 0.9856 0.9569 0.9568 0 10 1 3 1 10 2 3 3 4 3 5 4 6 5 7 6 8 6 11 6 12 7 9 7 13 7 14 8 15 8 16 8 17 9 18 9 19 9 20 10 21 10 22 -0.009830008 -1946.329632025480 15.58991 -15.04309 0.54682 -3.28885 3.62930 0.34045 -0.58740 0.39202 -0.19538 0.67312 1.71093