NBasis: 835 HOMO: 157 Groups: 0 MO eV Symmetry 835 L+677 136.03 A 834 L+676 135.76 A 833 L+675 133.06 A 832 L+674 132.37 A 831 L+673 130.15 A 830 L+672 129.88 A 829 L+671 128.77 A 828 L+670 128.39 A 827 L+669 127.8 A 826 L+668 127.8 A 825 L+667 126.49 A 824 L+666 125.82 A 823 L+665 125.11 A 822 L+664 123.33 A 821 L+663 122.98 A 820 L+662 122.48 A 819 L+661 121.7 A 818 L+660 121.06 A 817 L+659 120.18 A 816 L+658 119.74 A 815 L+657 119.54 A 814 L+656 118.89 A 813 L+655 116.93 A 812 L+654 115.86 A 811 L+653 115.28 A 810 L+652 114.83 A 809 L+651 114.31 A 808 L+650 113.22 A 807 L+649 112.14 A 806 L+648 111.52 A 805 L+647 111.46 A 804 L+646 111.24 A 803 L+645 110.86 A 802 L+644 109.83 A 801 L+643 109.26 A 800 L+642 108.44 A 799 L+641 107.22 A 798 L+640 106.73 A 797 L+639 105.98 A 796 L+638 105.75 A 795 L+637 97.04 A 794 L+636 96.6 A 793 L+635 96.28 A 792 L+634 96.16 A 791 L+633 95.89 A 790 L+632 95.74 A 789 L+631 95.39 A 788 L+630 95.02 A 787 L+629 94.77 A 786 L+628 94.7 A 785 L+627 94.41 A 784 L+626 94.39 A 783 L+625 94.18 A 782 L+624 94.02 A 781 L+623 93.88 A 780 L+622 93.74 A 779 L+621 93.63 A 778 L+620 93.32 A 777 L+619 93.18 A 776 L+618 93.15 A 775 L+617 93.02 A 774 L+616 92.93 A 773 L+615 92.8 A 772 L+614 92.75 A 771 L+613 92.47 A 770 L+612 92.3 A 769 L+611 91.91 A 768 L+610 91.86 A 767 L+609 91.81 A 766 L+608 91.58 A 765 L+607 91.36 A 764 L+606 91.11 A 763 L+605 90.97 A 762 L+604 90.24 A 761 L+603 90.21 A 760 L+602 89.67 A 759 L+601 89.39 A 758 L+600 89.25 A 757 L+599 88.77 A 756 L+598 88.58 A 755 L+597 88.28 A 754 L+596 88.13 A 753 L+595 87.93 A 752 L+594 87.57 A 751 L+593 87.12 A 750 L+592 86.41 A 749 L+591 86.15 A 748 L+590 85.46 A 747 L+589 85.35 A 746 L+588 84.92 A 745 L+587 84.72 A 744 L+586 84.39 A 743 L+585 84.07 A 742 L+584 83.98 A 741 L+583 83.52 A 740 L+582 83.33 A 739 L+581 83.12 A 738 L+580 82.94 A 737 L+579 82.59 A 736 L+578 82.34 A 735 L+577 81.99 A 734 L+576 81.84 A 733 L+575 81.73 A 732 L+574 81.56 A 731 L+573 81.46 A 730 L+572 81.2 A 729 L+571 81.05 A 728 L+570 80.89 A 727 L+569 80.61 A 726 L+568 80.49 A 725 L+567 80.25 A 724 L+566 80.17 A 723 L+565 79.95 A 722 L+564 79.8 A 721 L+563 79.67 A 720 L+562 79.55 A 719 L+561 79.5 A 718 L+560 79.35 A 717 L+559 79.24 A 716 L+558 79.11 A 715 L+557 78.97 A 714 L+556 78.92 A 713 L+555 78.85 A 712 L+554 78.51 A 711 L+553 78.42 A 710 L+552 78.33 A 709 L+551 78.22 A 708 L+550 78.01 A 707 L+549 77.86 A 706 L+548 77.59 A 705 L+547 77.45 A 704 L+546 77.29 A 703 L+545 77.11 A 702 L+544 77.03 A 701 L+543 76.86 A 700 L+542 76.72 A 699 L+541 76.69 A 698 L+540 76.44 A 697 L+539 76.24 A 696 L+538 76.07 A 695 L+537 75.84 A 694 L+536 75.65 A 693 L+535 75.51 A 692 L+534 75.42 A 691 L+533 75.18 A 690 L+532 74.92 A 689 L+531 74.77 A 688 L+530 74.72 A 687 L+529 74.68 A 686 L+528 74.59 A 685 L+527 74.55 A 684 L+526 74.44 A 683 L+525 74.21 A 682 L+524 74.14 A 681 L+523 73.97 A 680 L+522 73.88 A 679 L+521 73.85 A 678 L+520 73.59 A 677 L+519 73.48 A 676 L+518 73.31 A 675 L+517 73.27 A 674 L+516 73.17 A 673 L+515 73.1 A 672 L+514 73.0 A 671 L+513 72.95 A 670 L+512 72.87 A 669 L+511 72.54 A 668 L+510 72.52 A 667 L+509 72.42 A 666 L+508 72.29 A 665 L+507 72.18 A 664 L+506 72.1 A 663 L+505 71.92 A 662 L+504 71.75 A 661 L+503 71.67 A 660 L+502 71.52 A 659 L+501 71.33 A 658 L+500 71.26 A 657 L+499 71.22 A 656 L+498 71.09 A 655 L+497 70.95 A 654 L+496 70.87 A 653 L+495 70.82 A 652 L+494 70.59 A 651 L+493 70.3 A 650 L+492 70.04 A 649 L+491 70.02 A 648 L+490 69.84 A 647 L+489 69.84 A 646 L+488 69.65 A 645 L+487 69.24 A 644 L+486 69.06 A 643 L+485 68.77 A 642 L+484 68.56 A 641 L+483 68.41 A 640 L+482 68.23 A 639 L+481 68.13 A 638 L+480 68.02 A 637 L+479 67.76 A 636 L+478 67.59 A 635 L+477 67.5 A 634 L+476 67.2 A 633 L+475 67.02 A 632 L+474 66.98 A 631 L+473 66.87 A 630 L+472 66.62 A 629 L+471 66.59 A 628 L+470 66.26 A 627 L+469 66.13 A 626 L+468 66.03 A 625 L+467 65.96 A 624 L+466 65.63 A 623 L+465 65.51 A 622 L+464 65.36 A 621 L+463 65.29 A 620 L+462 65.22 A 619 L+461 65.08 A 618 L+460 64.89 A 617 L+459 64.66 A 616 L+458 64.42 A 615 L+457 64.29 A 614 L+456 63.92 A 613 L+455 63.8 A 612 L+454 63.72 A 611 L+453 63.57 A 610 L+452 63.43 A 609 L+451 63.36 A 608 L+450 63.13 A 607 L+449 62.91 A 606 L+448 62.83 A 605 L+447 62.77 A 604 L+446 62.65 A 603 L+445 62.5 A 602 L+444 62.27 A 601 L+443 62.22 A 600 L+442 62.15 A 599 L+441 61.78 A 598 L+440 61.5 A 597 L+439 61.32 A 596 L+438 61.19 A 595 L+437 61.17 A 594 L+436 61.04 A 593 L+435 60.94 A 592 L+434 60.53 A 591 L+433 60.45 A 590 L+432 60.32 A 589 L+431 60.25 A 588 L+430 60.15 A 587 L+429 59.88 A 586 L+428 59.75 A 585 L+427 59.5 A 584 L+426 59.35 A 583 L+425 59.22 A 582 L+424 59.17 A 581 L+423 59.1 A 580 L+422 58.97 A 579 L+421 58.89 A 578 L+420 58.7 A 577 L+419 58.66 A 576 L+418 58.54 A 575 L+417 58.33 A 574 L+416 58.16 A 573 L+415 58.11 A 572 L+414 58.08 A 571 L+413 57.86 A 570 L+412 57.81 A 569 L+411 57.57 A 568 L+410 57.54 A 567 L+409 57.28 A 566 L+408 57.08 A 565 L+407 57.01 A 564 L+406 56.91 A 563 L+405 56.85 A 562 L+404 56.58 A 561 L+403 56.51 A 560 L+402 56.41 A 559 L+401 56.21 A 558 L+400 56.04 A 557 L+399 55.93 A 556 L+398 55.87 A 555 L+397 55.62 A 554 L+396 55.55 A 553 L+395 55.44 A 552 L+394 55.28 A 551 L+393 55.2 A 550 L+392 55.19 A 549 L+391 55.02 A 548 L+390 54.82 A 547 L+389 54.71 A 546 L+388 54.54 A 545 L+387 54.5 A 544 L+386 54.42 A 543 L+385 54.13 A 542 L+384 54.07 A 541 L+383 54.04 A 540 L+382 53.95 A 539 L+381 53.81 A 538 L+380 53.67 A 537 L+379 53.53 A 536 L+378 53.45 A 535 L+377 53.42 A 534 L+376 53.34 A 533 L+375 53.1 A 532 L+374 53.01 A 531 L+373 52.8 A 530 L+372 52.68 A 529 L+371 52.49 A 528 L+370 52.42 A 527 L+369 52.31 A 526 L+368 52.19 A 525 L+367 51.88 A 524 L+366 51.75 A 523 L+365 51.61 A 522 L+364 51.53 A 521 L+363 51.4 A 520 L+362 51.3 A 519 L+361 51.24 A 518 L+360 51.1 A 517 L+359 51.01 A 516 L+358 50.93 A 515 L+357 50.72 A 514 L+356 50.55 A 513 L+355 50.47 A 512 L+354 50.25 A 511 L+353 50.11 A 510 L+352 50.09 A 509 L+351 49.88 A 508 L+350 49.84 A 507 L+349 49.67 A 506 L+348 49.35 A 505 L+347 49.27 A 504 L+346 49.11 A 503 L+345 49.01 A 502 L+344 48.71 A 501 L+343 48.69 A 500 L+342 48.56 A 499 L+341 48.39 A 498 L+340 48.28 A 497 L+339 47.97 A 496 L+338 47.81 A 495 L+337 47.64 A 494 L+336 47.61 A 493 L+335 47.49 A 492 L+334 47.32 A 491 L+333 47.17 A 490 L+332 47.05 A 489 L+331 46.97 A 488 L+330 46.95 A 487 L+329 46.69 A 486 L+328 46.55 A 485 L+327 46.36 A 484 L+326 46.18 A 483 L+325 45.96 A 482 L+324 45.81 A 481 L+323 45.55 A 480 L+322 45.46 A 479 L+321 45.24 A 478 L+320 45.05 A 477 L+319 44.86 A 476 L+318 44.73 A 475 L+317 44.67 A 474 L+316 44.54 A 473 L+315 44.39 A 472 L+314 44.19 A 471 L+313 44.07 A 470 L+312 44.03 A 469 L+311 43.79 A 468 L+310 43.67 A 467 L+309 43.38 A 466 L+308 43.1 A 465 L+307 43.03 A 464 L+306 42.88 A 463 L+305 42.69 A 462 L+304 42.52 A 461 L+303 42.48 A 460 L+302 42.4 A 459 L+301 42.26 A 458 L+300 41.95 A 457 L+299 41.88 A 456 L+298 41.77 A 455 L+297 41.56 A 454 L+296 41.42 A 453 L+295 41.26 A 452 L+294 41.07 A 451 L+293 40.86 A 450 L+292 40.7 A 449 L+291 40.58 A 448 L+290 40.52 A 447 L+289 40.26 A 446 L+288 40.03 A 445 L+287 39.85 A 444 L+286 39.45 A 443 L+285 39.31 A 442 L+284 39.19 A 441 L+283 38.88 A 440 L+282 38.72 A 439 L+281 38.58 A 438 L+280 38.33 A 437 L+279 38.21 A 436 L+278 37.98 A 435 L+277 37.61 A 434 L+276 37.43 A 433 L+275 37.21 A 432 L+274 37.0 A 431 L+273 36.67 A 430 L+272 36.63 A 429 L+271 36.23 A 428 L+270 36.13 A 427 L+269 36.01 A 426 L+268 35.75 A 425 L+267 35.52 A 424 L+266 35.14 A 423 L+265 35.02 A 422 L+264 34.51 A 421 L+263 34.47 A 420 L+262 34.36 A 419 L+261 34.34 A 418 L+260 34.13 A 417 L+259 34.06 A 416 L+258 33.97 A 415 L+257 33.58 A 414 L+256 33.36 A 413 L+255 33.13 A 412 L+254 32.75 A 411 L+253 32.62 A 410 L+252 32.49 A 409 L+251 32.33 A 408 L+250 32.21 A 407 L+249 32.06 A 406 L+248 31.96 A 405 L+247 31.8 A 404 L+246 31.55 A 403 L+245 31.37 A 402 L+244 31.35 A 401 L+243 31.2 A 400 L+242 30.86 A 399 L+241 30.81 A 398 L+240 30.64 A 397 L+239 30.41 A 396 L+238 30.28 A 395 L+237 30.0 A 394 L+236 29.93 A 393 L+235 29.89 A 392 L+234 29.58 A 391 L+233 29.5 A 390 L+232 29.32 A 389 L+231 29.17 A 388 L+230 28.96 A 387 L+229 28.85 A 386 L+228 28.73 A 385 L+227 28.51 A 384 L+226 28.36 A 383 L+225 28.16 A 382 L+224 28.08 A 381 L+223 27.92 A 380 L+222 27.79 A 379 L+221 27.43 A 378 L+220 27.28 A 377 L+219 27.2 A 376 L+218 27.12 A 375 L+217 26.95 A 374 L+216 26.72 A 373 L+215 26.54 A 372 L+214 26.41 A 371 L+213 26.29 A 370 L+212 26.18 A 369 L+211 25.99 A 368 L+210 25.76 A 367 L+209 25.74 A 366 L+208 25.58 A 365 L+207 25.46 A 364 L+206 25.14 A 363 L+205 25.13 A 362 L+204 24.94 A 361 L+203 24.93 A 360 L+202 24.78 A 359 L+201 24.72 A 358 L+200 24.57 A 357 L+199 24.51 A 356 L+198 24.43 A 355 L+197 24.39 A 354 L+196 24.34 A 353 L+195 24.17 A 352 L+194 24.13 A 351 L+193 24.04 A 350 L+192 23.79 A 349 L+191 23.66 A 348 L+190 23.58 A 347 L+189 23.54 A 346 L+188 23.47 A 345 L+187 23.21 A 344 L+186 23.16 A 343 L+185 23.11 A 342 L+184 23.0 A 341 L+183 22.89 A 340 L+182 22.77 A 339 L+181 22.66 A 338 L+180 22.58 A 337 L+179 22.48 A 336 L+178 22.32 A 335 L+177 22.27 A 334 L+176 22.15 A 333 L+175 22.0 A 332 L+174 21.95 A 331 L+173 21.8 A 330 L+172 21.71 A 329 L+171 21.67 A 328 L+170 21.57 A 327 L+169 21.44 A 326 L+168 21.38 A 325 L+167 21.27 A 324 L+166 21.18 A 323 L+165 21.11 A 322 L+164 21.1 A 321 L+163 21.06 A 320 L+162 20.97 A 319 L+161 20.82 A 318 L+160 20.77 A 317 L+159 20.7 A 316 L+158 20.61 A 315 L+157 20.51 A 314 L+156 20.4 A 313 L+155 20.27 A 312 L+154 20.2 A 311 L+153 20.09 A 310 L+152 19.9 A 309 L+151 19.85 A 308 L+150 19.71 A 307 L+149 19.65 A 306 L+148 19.42 A 305 L+147 19.31 A 304 L+146 19.22 A 303 L+145 19.16 A 302 L+144 19.03 A 301 L+143 18.89 A 300 L+142 18.68 A 299 L+141 18.44 A 298 L+140 18.36 A 297 L+139 18.27 A 296 L+138 17.97 A 295 L+137 17.92 A 294 L+136 17.89 A 293 L+135 17.77 A 292 L+134 17.64 A 291 L+133 17.6 A 290 L+132 17.46 A 289 L+131 17.24 A 288 L+130 17.2 A 287 L+129 17.06 A 286 L+128 16.88 A 285 L+127 16.78 A 284 L+126 16.72 A 283 L+125 16.59 A 282 L+124 16.52 A 281 L+123 16.36 A 280 L+122 16.3 A 279 L+121 16.22 A 278 L+120 16.01 A 277 L+119 15.87 A 276 L+118 15.78 A 275 L+117 15.7 A 274 L+116 15.6 A 273 L+115 15.5 A 272 L+114 15.31 A 271 L+113 15.29 A 270 L+112 15.1 A 269 L+111 15.03 A 268 L+110 14.87 A 267 L+109 14.7 A 266 L+108 14.53 A 265 L+107 14.45 A 264 L+106 14.19 A 263 L+105 14.07 A 262 L+104 13.94 A 261 L+103 13.93 A 260 L+102 13.89 A 259 L+101 13.66 A 258 L+100 13.59 A 257 L+99 13.49 A 256 L+98 13.41 A 255 L+97 13.32 A 254 L+96 13.28 A 253 L+95 13.19 A 252 L+94 13.04 A 251 L+93 12.98 A 250 L+92 12.85 A 249 L+91 12.39 A 248 L+90 12.04 A 247 L+89 10.22 A 246 L+88 9.15 A 245 L+87 9.09 A 244 L+86 8.36 A 243 L+85 8.24 A 242 L+84 8.14 A 241 L+83 7.88 A 240 L+82 7.78 A 239 L+81 7.66 A 238 L+80 7.43 A 237 L+79 7.31 A 236 L+78 7.25 A 235 L+77 7.09 A 234 L+76 6.91 A 233 L+75 6.84 A 232 L+74 6.8 A 231 L+73 6.62 A 230 L+72 6.5 A 229 L+71 6.47 A 228 L+70 6.41 A 227 L+69 6.25 A 226 L+68 6.2 A 225 L+67 6.1 A 224 L+66 5.92 A 223 L+65 5.85 A 222 L+64 5.77 A 221 L+63 5.71 A 220 L+62 5.68 A 219 L+61 5.65 A 218 L+60 5.5 A 217 L+59 5.38 A 216 L+58 5.28 A 215 L+57 5.22 A 214 L+56 5.19 A 213 L+55 5.1 A 212 L+54 4.99 A 211 L+53 4.93 A 210 L+52 4.87 A 209 L+51 4.86 A 208 L+50 4.72 A 207 L+49 4.66 A 206 L+48 4.53 A 205 L+47 4.46 A 204 L+46 4.4 A 203 L+45 4.35 A 202 L+44 4.3 A 201 L+43 4.24 A 200 L+42 4.19 A 199 L+41 4.06 A 198 L+40 3.97 A 197 L+39 3.92 A 196 L+38 3.84 A 195 L+37 3.77 A 194 L+36 3.73 A 193 L+35 3.67 A 192 L+34 3.62 A 191 L+33 3.52 A 190 L+32 3.46 A 189 L+31 3.38 A 188 L+30 3.28 A 187 L+29 3.19 A 186 L+28 3.15 A 185 L+27 3.09 A 184 L+26 3.05 A 183 L+25 2.86 A 182 L+24 2.78 A 181 L+23 2.73 A 180 L+22 2.69 A 179 L+21 2.58 A 178 L+20 2.51 A 177 L+19 2.47 A 176 L+18 2.44 A 175 L+17 2.39 A 174 L+16 2.33 A 173 L+15 2.28 A 172 L+14 2.15 A 171 L+13 2.04 A 170 L+12 1.88 A 169 L+11 1.66 A 168 L+10 1.59 A 167 L+9 1.53 A 166 L+8 1.44 A 165 L+7 1.3 A 164 L+6 1.2 A 163 L+5 1.1 A 162 L+4 0.76 A 161 L+3 0.62 A 160 L+2 0.53 A 159 L+1 0.2 A 158 LUMO -0.64 A 157 HOMO -7.43 A 156 H-1 -7.48 A 155 H-2 -7.71 A 154 H-3 -7.74 A 153 H-4 -7.83 A 152 H-5 -7.94 A 151 H-6 -8.06 A 150 H-7 -8.37 A 149 H-8 -8.39 A 148 H-9 -8.53 A 147 H-10 -8.78 A 146 H-11 -8.8 A 145 H-12 -8.93 A 144 H-13 -9.15 A 143 H-14 -9.23 A 142 H-15 -9.44 A 141 H-16 -9.57 A 140 H-17 -9.65 A 139 H-18 -9.8 A 138 H-19 -10.01 A 137 H-20 -10.1 A 136 H-21 -10.17 A 135 H-22 -10.23 A 134 H-23 -10.34 A 133 H-24 -10.42 A 132 H-25 -10.57 A 131 H-26 -10.58 A 130 H-27 -10.87 A 129 H-28 -10.97 A 128 H-29 -11.07 A 127 H-30 -11.16 A 126 H-31 -11.3 A 125 H-32 -11.39 A 124 H-33 -11.53 A 123 H-34 -11.58 A 122 H-35 -11.65 A 121 H-36 -11.76 A 120 H-37 -11.8 A 119 H-38 -11.89 A 118 H-39 -11.94 A 117 H-40 -12.01 A 116 H-41 -12.05 A 115 H-42 -12.27 A 114 H-43 -12.38 A 113 H-44 -12.49 A 112 H-45 -12.73 A 111 H-46 -12.85 A 110 H-47 -12.95 A 109 H-48 -13.04 A 108 H-49 -13.1 A 107 H-50 -13.43 A 106 H-51 -13.51 A 105 H-52 -13.66 A 104 H-53 -13.75 A 103 H-54 -13.91 A 102 H-55 -13.97 A 101 H-56 -14.14 A 100 H-57 -14.23 A 99 H-58 -14.35 A 98 H-59 -14.39 A 97 H-60 -14.55 A 96 H-61 -14.74 A 95 H-62 -14.8 A 94 H-63 -14.85 A 93 H-64 -15.02 A 92 H-65 -15.12 A 91 H-66 -15.27 A 90 H-67 -15.31 A 89 H-68 -15.47 A 88 H-69 -15.72 A 87 H-70 -15.75 A 86 H-71 -15.95 A 85 H-72 -16.2 A 84 H-73 -16.32 A 83 H-74 -16.34 A 82 H-75 -16.4 A 81 H-76 -16.46 A 80 H-77 -16.52 A 79 H-78 -16.62 A 78 H-79 -16.82 A 77 H-80 -17.21 A 76 H-81 -17.72 A 75 H-82 -17.78 A 74 H-83 -17.92 A 73 H-84 -18.1 A 72 H-85 -18.28 A 71 H-86 -18.5 A 70 H-87 -18.69 A 69 H-88 -19.51 A 68 H-89 -19.8 A 67 H-90 -20.17 A 66 H-91 -20.98 A 65 H-92 -21.05 A 64 H-93 -21.71 A 63 H-94 -21.94 A 62 H-95 -22.28 A 61 H-96 -22.32 A 60 H-97 -22.56 A 59 H-98 -23.13 A 58 H-99 -25.77 A 57 H-100 -27.48 A 56 H-101 -27.77 A 55 H-102 -27.82 A 54 H-103 -27.86 A 53 H-104 -27.89 A 52 H-105 -27.94 A 51 H-106 -28.22 A 50 H-107 -28.49 A 49 H-108 -28.61 A 48 H-109 -28.68 A 47 H-110 -28.75 A 46 H-111 -28.85 A 45 H-112 -29.01 A 44 H-113 -29.13 A 43 H-114 -29.26 A 42 H-115 -30.13 A 41 H-116 -30.2 A 40 H-117 -278.08 A 39 H-118 -278.18 A 38 H-119 -278.83 A 37 H-120 -279.01 A 36 H-121 -279.16 A 35 H-122 -279.16 A 34 H-123 -279.23 A 33 H-124 -279.27 A 32 H-125 -279.32 A 31 H-126 -279.58 A 30 H-127 -279.61 A 29 H-128 -279.66 A 28 H-129 -279.66 A 27 H-130 -279.69 A 26 H-131 -279.7 A 25 H-132 -279.73 A 24 H-133 -279.74 A 23 H-134 -279.78 A 22 H-135 -279.8 A 21 H-136 -280.68 A 20 H-137 -280.7 A 19 H-138 -280.76 A 18 H-139 -391.39 A 17 H-140 -393.46 A 16 H-141 -394.01 A 15 H-142 -394.01 A 14 H-143 -394.1 A 13 H-144 -520.99 A 12 H-145 -521.38 A 11 H-146 -521.48 A 10 H-147 -521.51 A 9 H-148 -521.64 A 8 H-149 -522.03 A 7 H-150 -522.15 A 6 H-151 -522.24 A 5 H-152 -522.27 A 4 H-153 -522.3 A 3 H-154 -522.34 A 2 H-155 -522.39 A 1 H-156 -522.48 A