NBasis: 563 HOMO: 126 Groups: 0 MO eV 563 L+436 134.49 562 L+435 133.48 561 L+434 127.68 560 L+433 126.6 559 L+432 125.96 558 L+431 123.16 557 L+430 122.76 556 L+429 121.73 555 L+428 121.39 554 L+427 120.01 553 L+426 119.12 552 L+425 118.31 551 L+424 116.52 550 L+423 115.39 549 L+422 114.98 548 L+421 114.49 547 L+420 113.81 546 L+419 113.45 545 L+418 112.26 544 L+417 111.75 543 L+416 111.35 542 L+415 111.06 541 L+414 110.55 540 L+413 109.94 539 L+412 109.62 538 L+411 108.04 537 L+410 107.31 536 L+409 106.94 535 L+408 105.79 534 L+407 105.25 533 L+406 104.55 532 L+405 103.1 531 L+404 100.56 530 L+403 96.96 529 L+402 95.74 528 L+401 95.56 527 L+400 94.78 526 L+399 94.73 525 L+398 94.14 524 L+397 93.8 523 L+396 93.59 522 L+395 93.32 521 L+394 92.89 520 L+393 91.34 519 L+392 90.97 518 L+391 90.09 517 L+390 88.93 516 L+389 87.87 515 L+388 87.25 514 L+387 86.91 513 L+386 85.91 512 L+385 84.82 511 L+384 84.66 510 L+383 84.42 509 L+382 83.88 508 L+381 83.55 507 L+380 83.15 506 L+379 82.45 505 L+378 81.94 504 L+377 81.56 503 L+376 81.07 502 L+375 80.87 501 L+374 80.13 500 L+373 79.26 499 L+372 79.07 498 L+371 78.85 497 L+370 78.82 496 L+369 78.57 495 L+368 78.11 494 L+367 78.01 493 L+366 77.76 492 L+365 77.64 491 L+364 77.33 490 L+363 77.16 489 L+362 76.86 488 L+361 76.43 487 L+360 76.04 486 L+359 75.49 485 L+358 75.37 484 L+357 74.91 483 L+356 74.78 482 L+355 74.6 481 L+354 74.49 480 L+353 74.44 479 L+352 73.89 478 L+351 73.72 477 L+350 73.66 476 L+349 73.27 475 L+348 73.13 474 L+347 72.97 473 L+346 72.84 472 L+345 72.45 471 L+344 72.37 470 L+343 72.02 469 L+342 71.83 468 L+341 71.41 467 L+340 71.32 466 L+339 70.62 465 L+338 70.37 464 L+337 69.95 463 L+336 69.73 462 L+335 69.67 461 L+334 69.49 460 L+333 69.33 459 L+332 69.15 458 L+331 69.03 457 L+330 68.85 456 L+329 68.39 455 L+328 68.08 454 L+327 67.85 453 L+326 67.48 452 L+325 67.08 451 L+324 66.87 450 L+323 66.8 449 L+322 66.7 448 L+321 66.56 447 L+320 66.47 446 L+319 66.01 445 L+318 65.25 444 L+317 65.12 443 L+316 64.88 442 L+315 64.7 441 L+314 64.23 440 L+313 63.83 439 L+312 63.68 438 L+311 63.54 437 L+310 63.5 436 L+309 63.36 435 L+308 63.05 434 L+307 62.81 433 L+306 62.07 432 L+305 61.82 431 L+304 61.53 430 L+303 61.45 429 L+302 61.36 428 L+301 61.27 427 L+300 60.95 426 L+299 60.7 425 L+298 60.41 424 L+297 59.97 423 L+296 59.8 422 L+295 59.39 421 L+294 59.04 420 L+293 58.92 419 L+292 58.66 418 L+291 58.59 417 L+290 58.32 416 L+289 58.08 415 L+288 57.88 414 L+287 57.84 413 L+286 57.63 412 L+285 57.51 411 L+284 57.27 410 L+283 57.08 409 L+282 56.89 408 L+281 56.36 407 L+280 56.17 406 L+279 56.12 405 L+278 55.64 404 L+277 55.45 403 L+276 54.75 402 L+275 54.68 401 L+274 54.57 400 L+273 54.47 399 L+272 54.23 398 L+271 54.05 397 L+270 53.93 396 L+269 53.8 395 L+268 53.47 394 L+267 53.24 393 L+266 53.07 392 L+265 52.66 391 L+264 52.57 390 L+263 52.5 389 L+262 52.28 388 L+261 52.07 387 L+260 51.84 386 L+259 51.55 385 L+258 51.51 384 L+257 51.34 383 L+256 51.21 382 L+255 51.09 381 L+254 51.0 380 L+253 50.75 379 L+252 50.71 378 L+251 50.59 377 L+250 50.28 376 L+249 50.16 375 L+248 50.15 374 L+247 50.1 373 L+246 49.99 372 L+245 49.65 371 L+244 49.34 370 L+243 49.21 369 L+242 49.02 368 L+241 48.82 367 L+240 48.76 366 L+239 48.66 365 L+238 48.46 364 L+237 48.35 363 L+236 47.96 362 L+235 47.86 361 L+234 47.59 360 L+233 47.35 359 L+232 46.84 358 L+231 46.7 357 L+230 46.39 356 L+229 46.32 355 L+228 45.97 354 L+227 45.66 353 L+226 45.55 352 L+225 45.28 351 L+224 45.17 350 L+223 44.9 349 L+222 44.88 348 L+221 44.47 347 L+220 44.17 346 L+219 44.05 345 L+218 43.77 344 L+217 43.38 343 L+216 43.14 342 L+215 42.96 341 L+214 42.52 340 L+213 42.17 339 L+212 41.53 338 L+211 41.0 337 L+210 40.76 336 L+209 40.38 335 L+208 40.0 334 L+207 39.91 333 L+206 39.75 332 L+205 39.57 331 L+204 39.3 330 L+203 38.88 329 L+202 38.81 328 L+201 38.18 327 L+200 38.08 326 L+199 38.02 325 L+198 37.83 324 L+197 37.59 323 L+196 37.47 322 L+195 37.3 321 L+194 37.01 320 L+193 36.83 319 L+192 36.33 318 L+191 36.1 317 L+190 35.99 316 L+189 35.26 315 L+188 35.06 314 L+187 34.77 313 L+186 34.45 312 L+185 34.25 311 L+184 33.98 310 L+183 33.83 309 L+182 33.66 308 L+181 33.46 307 L+180 33.23 306 L+179 33.11 305 L+178 32.8 304 L+177 32.63 303 L+176 32.42 302 L+175 32.26 301 L+174 31.87 300 L+173 31.57 299 L+172 31.23 298 L+171 30.93 297 L+170 30.81 296 L+169 30.55 295 L+168 30.2 294 L+167 29.78 293 L+166 29.71 292 L+165 29.66 291 L+164 29.39 290 L+163 28.99 289 L+162 28.92 288 L+161 28.72 287 L+160 28.56 286 L+159 28.49 285 L+158 28.45 284 L+157 28.32 283 L+156 28.06 282 L+155 27.96 281 L+154 27.84 280 L+153 27.67 279 L+152 27.53 278 L+151 27.45 277 L+150 27.16 276 L+149 26.96 275 L+148 26.79 274 L+147 26.31 273 L+146 26.25 272 L+145 26.12 271 L+144 26.04 270 L+143 25.7 269 L+142 25.59 268 L+141 25.55 267 L+140 25.3 266 L+139 25.16 265 L+138 25.05 264 L+137 24.69 263 L+136 24.53 262 L+135 24.42 261 L+134 24.38 260 L+133 24.18 259 L+132 23.97 258 L+131 23.89 257 L+130 23.6 256 L+129 23.46 255 L+128 23.44 254 L+127 23.05 253 L+126 22.99 252 L+125 22.97 251 L+124 22.85 250 L+123 22.71 249 L+122 22.68 248 L+121 22.52 247 L+120 22.4 246 L+119 22.27 245 L+118 22.17 244 L+117 22.04 243 L+116 22.02 242 L+115 21.79 241 L+114 21.61 240 L+113 21.48 239 L+112 21.26 238 L+111 20.94 237 L+110 20.91 236 L+109 20.65 235 L+108 20.61 234 L+107 20.44 233 L+106 20.18 232 L+105 19.66 231 L+104 19.6 230 L+103 19.33 229 L+102 19.28 228 L+101 19.14 227 L+100 19.11 226 L+99 18.87 225 L+98 18.6 224 L+97 18.49 223 L+96 18.32 222 L+95 18.15 221 L+94 18.11 220 L+93 18.08 219 L+92 17.85 218 L+91 17.8 217 L+90 17.65 216 L+89 17.63 215 L+88 17.26 214 L+87 17.12 213 L+86 17.06 212 L+85 16.71 211 L+84 16.45 210 L+83 16.41 209 L+82 15.93 208 L+81 15.79 207 L+80 15.64 206 L+79 15.47 205 L+78 15.39 204 L+77 15.35 203 L+76 15.27 202 L+75 15.02 201 L+74 14.69 200 L+73 14.54 199 L+72 14.44 198 L+71 14.24 197 L+70 14.09 196 L+69 13.99 195 L+68 13.92 194 L+67 13.63 193 L+66 13.38 192 L+65 13.18 191 L+64 13.0 190 L+63 12.11 189 L+62 11.78 188 L+61 11.44 187 L+60 11.32 186 L+59 11.14 185 L+58 10.9 184 L+57 10.81 183 L+56 10.53 182 L+55 10.34 181 L+54 10.11 180 L+53 10.02 179 L+52 9.82 178 L+51 9.63 177 L+50 9.44 176 L+49 9.29 175 L+48 9.08 174 L+47 8.89 173 L+46 8.82 172 L+45 8.43 171 L+44 8.18 170 L+43 7.96 169 L+42 7.61 168 L+41 7.19 167 L+40 7.08 166 L+39 6.83 165 L+38 6.59 164 L+37 6.41 163 L+36 6.23 162 L+35 6.01 161 L+34 5.92 160 L+33 5.84 159 L+32 5.45 158 L+31 5.37 157 L+30 5.24 156 L+29 5.18 155 L+28 4.81 154 L+27 4.68 153 L+26 4.54 152 L+25 4.32 151 L+24 4.27 150 L+23 4.13 149 L+22 4.10 148 L+21 3.94 147 L+20 3.84 146 L+19 3.72 145 L+18 3.62 144 L+17 3.34 143 L+16 3.29 142 L+15 3.20 141 L+14 3.18 140 L+13 2.99 139 L+12 2.80 138 L+11 2.67 137 L+10 2.50 136 L+9 1.89 135 L+8 1.85 134 L+7 1.59 133 L+6 0.75 132 L+5 0.09 131 L+4 -0.02 130 L+3 -0.2 129 L+2 -0.32 128 L+1 -0.85 127 LUMO -1.87 126 HOMO -5.69 125 H-1 -5.96 124 H-2 -6.69 123 H-3 -6.82 122 H-4 -6.86 121 H-5 -6.94 120 H-6 -7.08 119 H-7 -7.31 118 H-8 -7.6 117 H-9 -7.66 116 H-10 -7.85 115 H-11 -8.14 114 H-12 -8.21 113 H-13 -8.24 112 H-14 -8.7 111 H-15 -8.81 110 H-16 -8.83 109 H-17 -8.86 108 H-18 -8.86 107 H-19 -9.23 106 H-20 -9.57 105 H-21 -9.8 104 H-22 -9.82 103 H-23 -9.91 102 H-24 -10.13 101 H-25 -10.31 100 H-26 -10.49 99 H-27 -10.64 98 H-28 -10.72 97 H-29 -10.85 96 H-30 -11.21 95 H-31 -11.38 94 H-32 -11.45 93 H-33 -11.49 92 H-34 -11.73 91 H-35 -11.9 90 H-36 -11.94 89 H-37 -11.99 88 H-38 -12.05 87 H-39 -12.14 86 H-40 -12.27 85 H-41 -12.67 84 H-42 -12.77 83 H-43 -12.92 82 H-44 -13.03 81 H-45 -13.13 80 H-46 -13.31 79 H-47 -13.61 78 H-48 -13.86 77 H-49 -13.98 76 H-50 -14.05 75 H-51 -14.23 74 H-52 -14.51 73 H-53 -14.73 72 H-54 -15.16 71 H-55 -15.8 70 H-56 -15.9 69 H-57 -16.46 68 H-58 -16.63 67 H-59 -16.73 66 H-60 -16.93 65 H-61 -17.06 64 H-62 -17.83 63 H-63 -18.37 62 H-64 -19.13 61 H-65 -19.97 60 H-66 -20.47 59 H-67 -20.93 58 H-68 -21.01 57 H-69 -21.97 56 H-70 -22.03 55 H-71 -24.41 54 H-72 -25.05 53 H-73 -25.4 52 H-74 -25.53 51 H-75 -26.25 50 H-76 -26.26 49 H-77 -26.34 48 H-78 -27.08 47 H-79 -27.1 46 H-80 -28.49 45 H-81 -28.94 44 H-82 -29.06 43 H-83 -30.11 42 H-84 -30.14 41 H-85 -30.53 40 H-86 -161.69 39 H-87 -161.8 38 H-88 -161.9 37 H-89 -165.79 36 H-90 -165.8 35 H-91 -165.85 34 H-92 -217.3 33 H-93 -221.2 32 H-94 -276.99 31 H-95 -277.48 30 H-96 -278.27 29 H-97 -278.63 28 H-98 -278.67 27 H-99 -278.76 26 H-100 -278.81 25 H-101 -278.98 24 H-102 -279.1 23 H-103 -279.15 22 H-104 -279.21 21 H-105 -279.23 20 H-106 -280.26 19 H-107 -280.38 18 H-108 -280.93 17 H-109 -390.3 16 H-110 -390.91 15 H-111 -391.01 14 H-112 -391.38 13 H-113 -392.13 12 H-114 -393.49 11 H-115 -520.01 10 H-116 -520.12 9 H-117 -520.15 8 H-118 -520.17 7 H-119 -520.74 6 H-120 -521.15 5 H-121 -521.82 4 H-122 -522.41 3 H-123 -522.76 2 H-124 -2419.74 1 H-125 -2424.83