NBasis: 514 HOMO: 105 MO eV 514 L+408 133.53 513 L+407 131.98 512 L+406 130.62 511 L+405 128.73 510 L+404 128.33 509 L+403 124.88 508 L+402 124.24 507 L+401 123.72 506 L+400 122.33 505 L+399 122.19 504 L+398 121.1 503 L+397 120.79 502 L+396 119.95 501 L+395 119.18 500 L+394 117.81 499 L+393 117.07 498 L+392 115.59 497 L+391 115.34 496 L+390 114.18 495 L+389 113.74 494 L+388 113.29 493 L+387 112.83 492 L+386 112.5 491 L+385 111.7 490 L+384 110.02 489 L+383 108.06 488 L+382 107.25 487 L+381 105.84 486 L+380 103.98 485 L+379 96.89 484 L+378 95.41 483 L+377 95.36 482 L+376 94.7 481 L+375 94.09 480 L+374 94.06 479 L+373 93.57 478 L+372 93.39 477 L+371 93.1 476 L+370 92.96 475 L+369 92.92 474 L+368 91.96 473 L+367 90.76 472 L+366 89.77 471 L+365 88.37 470 L+364 88.35 469 L+363 88.25 468 L+362 88.06 467 L+361 87.54 466 L+360 87.15 465 L+359 86.86 464 L+358 86.12 463 L+357 85.82 462 L+356 84.6 461 L+355 83.64 460 L+354 83.33 459 L+353 83.0 458 L+352 82.89 457 L+351 82.28 456 L+350 81.28 455 L+349 81.25 454 L+348 81.12 453 L+347 80.15 452 L+346 79.72 451 L+345 79.5 450 L+344 79.39 449 L+343 79.13 448 L+342 78.84 447 L+341 78.62 446 L+340 78.26 445 L+339 78.05 444 L+338 77.24 443 L+337 77.19 442 L+336 76.81 441 L+335 76.34 440 L+334 76.23 439 L+333 76.02 438 L+332 75.37 437 L+331 75.22 436 L+330 75.12 435 L+329 74.87 434 L+328 74.66 433 L+327 74.57 432 L+326 73.99 431 L+325 73.82 430 L+324 73.55 429 L+323 73.47 428 L+322 72.62 427 L+321 72.29 426 L+320 72.08 425 L+319 71.98 424 L+318 71.83 423 L+317 71.6 422 L+316 71.38 421 L+315 71.07 420 L+314 70.73 419 L+313 70.6 418 L+312 70.53 417 L+311 70.27 416 L+310 69.97 415 L+309 69.8 414 L+308 69.34 413 L+307 69.24 412 L+306 69.15 411 L+305 68.79 410 L+304 68.62 409 L+303 68.34 408 L+302 68.14 407 L+301 67.65 406 L+300 67.47 405 L+299 67.28 404 L+298 67.24 403 L+297 66.8 402 L+296 66.64 401 L+295 66.36 400 L+294 65.91 399 L+293 65.71 398 L+292 65.51 397 L+291 65.22 396 L+290 65.1 395 L+289 64.88 394 L+288 64.69 393 L+287 64.56 392 L+286 64.38 391 L+285 63.85 390 L+284 63.18 389 L+283 62.92 388 L+282 62.57 387 L+281 62.19 386 L+280 62.11 385 L+279 61.91 384 L+278 61.67 383 L+277 61.37 382 L+276 61.16 381 L+275 61.04 380 L+274 60.73 379 L+273 60.29 378 L+272 60.08 377 L+271 59.7 376 L+270 59.35 375 L+269 59.16 374 L+268 58.89 373 L+267 58.6 372 L+266 58.24 371 L+265 58.12 370 L+264 57.76 369 L+263 57.62 368 L+262 57.48 367 L+261 57.09 366 L+260 57.0 365 L+259 56.76 364 L+258 56.41 363 L+257 56.09 362 L+256 56.0 361 L+255 55.95 360 L+254 55.85 359 L+253 55.68 358 L+252 55.64 357 L+251 55.24 356 L+250 55.17 355 L+249 54.98 354 L+248 54.7 353 L+247 54.57 352 L+246 54.26 351 L+245 54.09 350 L+244 53.86 349 L+243 53.62 348 L+242 53.46 347 L+241 53.27 346 L+240 52.99 345 L+239 52.85 344 L+238 52.51 343 L+237 52.2 342 L+236 52.17 341 L+235 51.98 340 L+234 51.89 339 L+233 51.73 338 L+232 51.47 337 L+231 51.27 336 L+230 51.16 335 L+229 51.07 334 L+228 50.8 333 L+227 50.67 332 L+226 50.58 331 L+225 50.53 330 L+224 50.26 329 L+223 49.94 328 L+222 49.91 327 L+221 49.61 326 L+220 49.53 325 L+219 49.01 324 L+218 48.93 323 L+217 48.82 322 L+216 48.73 321 L+215 48.49 320 L+214 48.24 319 L+213 48.07 318 L+212 47.66 317 L+211 47.37 316 L+210 47.05 315 L+209 46.7 314 L+208 46.25 313 L+207 45.92 312 L+206 45.18 311 L+205 44.75 310 L+204 44.44 309 L+203 44.16 308 L+202 44.02 307 L+201 43.87 306 L+200 43.19 305 L+199 42.97 304 L+198 42.46 303 L+197 41.78 302 L+196 41.24 301 L+195 40.9 300 L+194 40.59 299 L+193 40.15 298 L+192 40.02 297 L+191 39.94 296 L+190 39.26 295 L+189 39.25 294 L+188 38.86 293 L+187 38.76 292 L+186 38.46 291 L+185 38.41 290 L+184 38.32 289 L+183 38.11 288 L+182 38.01 287 L+181 37.85 286 L+180 37.75 285 L+179 37.4 284 L+178 36.89 283 L+177 36.27 282 L+176 36.21 281 L+175 36.03 280 L+174 35.47 279 L+173 35.36 278 L+172 34.61 277 L+171 33.96 276 L+170 33.87 275 L+169 33.79 274 L+168 33.53 273 L+167 33.11 272 L+166 32.68 271 L+165 32.25 270 L+164 32.04 269 L+163 31.59 268 L+162 31.54 267 L+161 31.2 266 L+160 31.04 265 L+159 30.83 264 L+158 30.43 263 L+157 30.26 262 L+156 30.11 261 L+155 29.64 260 L+154 29.38 259 L+153 29.14 258 L+152 28.92 257 L+151 28.59 256 L+150 28.21 255 L+149 28.04 254 L+148 27.94 253 L+147 27.77 252 L+146 27.62 251 L+145 27.41 250 L+144 27.28 249 L+143 27.15 248 L+142 26.89 247 L+141 26.55 246 L+140 26.49 245 L+139 26.06 244 L+138 25.93 243 L+137 25.76 242 L+136 25.62 241 L+135 25.44 240 L+134 25.36 239 L+133 25.29 238 L+132 24.95 237 L+131 24.87 236 L+130 24.74 235 L+129 24.6 234 L+128 24.5 233 L+127 24.29 232 L+126 24.13 231 L+125 24.07 230 L+124 23.87 229 L+123 23.62 228 L+122 23.41 227 L+121 23.27 226 L+120 23.25 225 L+119 23.1 224 L+118 23.02 223 L+117 22.82 222 L+116 22.66 221 L+115 22.54 220 L+114 22.39 219 L+113 22.23 218 L+112 22.12 217 L+111 22.08 216 L+110 21.95 215 L+109 21.87 214 L+108 21.59 213 L+107 21.4 212 L+106 21.14 211 L+105 20.89 210 L+104 20.59 209 L+103 20.39 208 L+102 20.1 207 L+101 20.02 206 L+100 19.93 205 L+99 19.75 204 L+98 19.6 203 L+97 19.45 202 L+96 19.07 201 L+95 18.88 200 L+94 18.55 199 L+93 18.48 198 L+92 18.16 197 L+91 18.06 196 L+90 17.93 195 L+89 17.85 194 L+88 17.49 193 L+87 17.27 192 L+86 17.13 191 L+85 16.98 190 L+84 16.89 189 L+83 16.77 188 L+82 16.61 187 L+81 16.52 186 L+80 16.31 185 L+79 16.23 184 L+78 16.19 183 L+77 16.01 182 L+76 15.9 181 L+75 15.83 180 L+74 15.7 179 L+73 15.66 178 L+72 15.39 177 L+71 15.22 176 L+70 15.13 175 L+69 14.83 174 L+68 14.8 173 L+67 14.62 172 L+66 14.38 171 L+65 14.31 170 L+64 14.23 169 L+63 14.04 168 L+62 13.81 167 L+61 13.62 166 L+60 13.39 165 L+59 12.69 164 L+58 12.5 163 L+57 12.4 162 L+56 11.91 161 L+55 11.3 160 L+54 11.21 159 L+53 10.66 158 L+52 10.58 157 L+51 10.17 156 L+50 9.93 155 L+49 9.76 154 L+48 9.41 153 L+47 9.25 152 L+46 8.94 151 L+45 8.69 150 L+44 8.64 149 L+43 8.14 148 L+42 8.05 147 L+41 7.99 146 L+40 7.66 145 L+39 7.51 144 L+38 7.34 143 L+37 7.04 142 L+36 6.96 141 L+35 6.78 140 L+34 6.42 139 L+33 6.08 138 L+32 5.66 137 L+31 5.5 A 136 L+30 5.4 A 135 L+29 5.26 134 L+28 5.16 133 L+27 5.09 132 L+26 4.93 131 L+25 4.9 A 130 L+24 4.7 A 129 L+23 4.61 128 L+22 4.49 127 L+21 4.41 126 L+20 4.28 125 L+19 4.19 124 L+18 4.03 123 L+17 3.96 122 L+16 3.9 A 121 L+15 3.81 120 L+14 3.58 119 L+13 3.4 A 118 L+12 3.17 117 L+11 2.83 116 L+10 2.68 115 L+9 2.53 A 114 L+8 2.41 A 113 L+7 2.12 A 112 L+6 1.51 A 111 L+5 0.4 A 110 L+4 0.38 A 109 L+3 0.05 A 108 L+2 -0.3 A 107 L+1 -0.73 A 106 LUMO -1.08 105 HOMO -5.48 104 H-1 -5.58 A 103 H-2 -5.96 A 102 H-3 -6.27 A 101 H-4 -6.78 A 100 H-5 -6.9 A 99 H-6 -7.07 A 98 H-7 -7.1 A 97 H-8 -7.16 A 96 H-9 -7.51 A 95 H-10 -8.0 94 H-11 -8.41 93 H-12 -8.52 92 H-13 -8.78 91 H-14 -9.15 90 H-15 -9.36 89 H-16 -9.56 88 H-17 -9.58 87 H-18 -9.66 86 H-19 -9.73 85 H-20 -10.1 84 H-21 -10.19 83 H-22 -10.29 82 H-23 -10.37 81 H-24 -10.44 80 H-25 -10.71 79 H-26 -10.77 78 H-27 -10.96 77 H-28 -11.0 76 H-29 -11.26 75 H-30 -11.31 74 H-31 -11.5 73 H-32 -11.59 72 H-33 -11.63 71 H-34 -11.73 70 H-35 -11.81 69 H-36 -12.19 68 H-37 -12.34 67 H-38 -12.43 66 H-39 -12.68 65 H-40 -12.93 64 H-41 -13.05 63 H-42 -13.31 62 H-43 -13.58 61 H-44 -13.85 60 H-45 -13.94 59 H-46 -14.53 58 H-47 -14.83 57 H-48 -15.23 56 H-49 -15.55 55 H-50 -16.21 54 H-51 -16.69 53 H-52 -16.85 52 H-53 -17.12 51 H-54 -17.64 50 H-55 -18.64 49 H-56 -18.72 48 H-57 -19.71 47 H-58 -19.92 46 H-59 -20.51 45 H-60 -20.66 44 H-61 -21.04 43 H-62 -22.34 42 H-63 -22.49 41 H-64 -23.31 40 H-65 -24.4 39 H-66 -24.62 38 H-67 -25.34 37 H-68 -26.55 36 H-69 -27.07 35 H-70 -28.38 34 H-71 -28.64 33 H-72 -31.3 32 H-73 -160.23 31 H-74 -160.41 30 H-75 -160.5 29 H-76 -215.88 28 H-77 -276.89 27 H-78 -276.97 26 H-79 -277.49 25 H-80 -277.51 24 H-81 -277.52 23 H-82 -277.53 22 H-83 -277.58 21 H-84 -277.62 20 H-85 -277.88 19 H-86 -277.98 18 H-87 -277.99 17 H-88 -278.52 16 H-89 -278.74 15 H-90 -278.79 14 H-91 -278.83 13 H-92 -279.03 12 H-93 -279.65 11 H-94 -280.16 10 H-95 -280.48 9 H-96 -390.9 8 H-97 -391.12 7 H-98 -391.54 6 H-99 -518.6 5 H-100 -518.64 4 H-101 -520.45 3 H-102 -520.78 2 H-103 -523.69 1 H-104 -2418.34