NBasis: 495 HOMO: 95 MO eV 495 L+399 154.26 494 L+398 133.41 493 L+397 129.29 492 L+396 128.44 491 L+395 127.69 490 L+394 126.4 489 L+393 125.91 488 L+392 125.46 487 L+391 124.14 486 L+390 122.76 485 L+389 122.14 484 L+388 121.38 483 L+387 120.75 482 L+386 119.91 481 L+385 119.73 480 L+384 119.47 479 L+383 119.23 478 L+382 116.35 477 L+381 114.89 476 L+380 113.56 475 L+379 113.14 474 L+378 112.5 473 L+377 112.3 472 L+376 110.84 471 L+375 109.09 470 L+374 106.41 469 L+373 100.89 468 L+372 98.63 467 L+371 97.42 466 L+370 96.9 465 L+369 95.95 464 L+368 95.45 463 L+367 94.75 462 L+366 94.67 461 L+365 94.57 460 L+364 94.38 459 L+363 94.21 458 L+362 92.41 457 L+361 92.18 456 L+360 92.0 455 L+359 91.14 454 L+358 90.8 453 L+357 90.47 452 L+356 89.86 451 L+355 89.78 450 L+354 88.97 449 L+353 88.45 448 L+352 88.35 447 L+351 87.65 446 L+350 87.24 445 L+349 87.16 444 L+348 85.52 443 L+347 85.28 442 L+346 84.77 441 L+345 83.85 440 L+344 83.39 439 L+343 82.84 438 L+342 82.15 437 L+341 81.69 436 L+340 81.5 435 L+339 81.03 434 L+338 80.74 433 L+337 80.49 432 L+336 80.09 431 L+335 79.61 430 L+334 79.42 429 L+333 79.26 428 L+332 79.0 427 L+331 78.61 426 L+330 78.5 425 L+329 78.04 424 L+328 77.9 423 L+327 77.65 422 L+326 77.36 421 L+325 77.16 420 L+324 77.07 419 L+323 76.77 418 L+322 76.31 417 L+321 75.93 416 L+320 75.8 415 L+319 75.63 414 L+318 75.6 413 L+317 75.23 412 L+316 74.89 411 L+315 74.53 410 L+314 74.4 409 L+313 74.12 408 L+312 73.93 407 L+311 73.76 406 L+310 73.52 405 L+309 73.29 404 L+308 73.22 403 L+307 72.82 402 L+306 72.71 401 L+305 72.31 400 L+304 72.25 399 L+303 71.78 398 L+302 71.28 397 L+301 71.17 396 L+300 71.07 395 L+299 70.8 394 L+298 70.39 393 L+297 70.19 392 L+296 69.79 391 L+295 69.38 390 L+294 69.24 389 L+293 68.78 388 L+292 68.77 387 L+291 68.5 386 L+290 68.14 385 L+289 67.78 384 L+288 67.26 383 L+287 67.19 382 L+286 67.15 381 L+285 66.92 380 L+284 66.7 379 L+283 66.49 378 L+282 65.93 377 L+281 65.65 376 L+280 65.55 375 L+279 65.24 374 L+278 65.1 373 L+277 64.87 372 L+276 63.96 371 L+275 63.87 370 L+274 63.52 369 L+273 63.38 368 L+272 63.12 367 L+271 62.98 366 L+270 62.85 365 L+269 62.27 364 L+268 62.12 363 L+267 61.92 362 L+266 61.71 361 L+265 61.5 360 L+264 61.17 359 L+263 60.94 358 L+262 60.75 357 L+261 60.72 356 L+260 60.3 355 L+259 60.09 354 L+258 59.96 353 L+257 59.64 352 L+256 59.13 351 L+255 58.87 350 L+254 58.4 349 L+253 58.19 348 L+252 58.11 347 L+251 57.91 346 L+250 57.71 345 L+249 57.56 344 L+248 57.22 343 L+247 57.18 342 L+246 56.98 341 L+245 56.8 340 L+244 56.65 339 L+243 56.42 338 L+242 56.28 337 L+241 56.18 336 L+240 55.98 335 L+239 55.83 334 L+238 55.81 333 L+237 55.68 332 L+236 55.23 331 L+235 55.06 330 L+234 54.59 329 L+233 54.27 328 L+232 53.85 327 L+231 53.74 326 L+230 53.67 325 L+229 53.44 324 L+228 53.16 323 L+227 53.07 322 L+226 52.9 321 L+225 52.89 320 L+224 52.71 319 L+223 52.43 318 L+222 52.06 317 L+221 51.87 316 L+220 51.76 315 L+219 51.59 314 L+218 51.56 313 L+217 51.15 312 L+216 51.05 311 L+215 50.88 310 L+214 50.77 309 L+213 50.52 308 L+212 50.31 307 L+211 50.19 306 L+210 50.0 305 L+209 49.84 304 L+208 49.7 303 L+207 49.32 302 L+206 49.1 301 L+205 49.0 300 L+204 48.49 299 L+203 48.12 298 L+202 48.03 297 L+201 47.63 296 L+200 47.58 295 L+199 47.27 294 L+198 47.24 293 L+197 47.01 292 L+196 46.88 291 L+195 46.66 290 L+194 46.15 289 L+193 46.08 288 L+192 45.67 287 L+191 45.2 286 L+190 45.03 285 L+189 44.65 284 L+188 44.06 283 L+187 43.65 282 L+186 43.41 281 L+185 43.33 280 L+184 42.51 279 L+183 42.06 278 L+182 41.81 277 L+181 41.64 276 L+180 41.31 275 L+179 41.02 274 L+178 40.75 273 L+177 40.32 272 L+176 39.83 271 L+175 39.24 270 L+174 39.14 269 L+173 38.88 268 L+172 38.47 267 L+171 38.29 266 L+170 38.02 265 L+169 37.74 264 L+168 37.67 263 L+167 37.26 262 L+166 36.94 261 L+165 36.42 260 L+164 36.19 259 L+163 35.77 258 L+162 35.72 257 L+161 35.28 256 L+160 35.2 255 L+159 34.91 254 L+158 34.72 253 L+157 34.47 252 L+156 34.21 251 L+155 33.83 250 L+154 33.72 249 L+153 33.26 248 L+152 33.04 247 L+151 32.89 246 L+150 32.46 245 L+149 32.2 244 L+148 31.84 243 L+147 31.14 242 L+146 30.85 241 L+145 30.64 240 L+144 30.5 239 L+143 29.91 238 L+142 29.7 237 L+141 29.37 236 L+140 28.79 235 L+139 28.59 234 L+138 28.2 233 L+137 28.17 232 L+136 27.89 231 L+135 27.71 230 L+134 27.21 229 L+133 27.01 228 L+132 26.87 227 L+131 26.47 226 L+130 26.36 225 L+129 26.17 224 L+128 25.85 223 L+127 25.8 222 L+126 25.63 221 L+125 25.53 220 L+124 25.29 219 L+123 25.24 218 L+122 25.1 217 L+121 25.04 216 L+120 24.87 215 L+119 24.59 214 L+118 24.48 213 L+117 24.13 212 L+116 24.1 211 L+115 23.96 210 L+114 23.79 209 L+113 23.7 208 L+112 23.59 207 L+111 23.41 206 L+110 23.17 205 L+109 23.02 204 L+108 22.91 203 L+107 22.87 202 L+106 22.63 201 L+105 22.52 200 L+104 21.99 199 L+103 21.88 198 L+102 21.79 197 L+101 21.71 196 L+100 21.55 195 L+99 21.4 194 L+98 21.04 193 L+97 20.61 192 L+96 20.56 191 L+95 20.2 190 L+94 20.2 189 L+93 19.84 188 L+92 19.68 187 L+91 19.5 186 L+90 19.42 185 L+89 18.98 184 L+88 18.93 183 L+87 18.38 182 L+86 18.27 181 L+85 18.13 180 L+84 17.94 179 L+83 17.69 178 L+82 17.63 177 L+81 17.41 176 L+80 17.31 175 L+79 17.24 174 L+78 17.11 173 L+77 16.99 172 L+76 16.65 171 L+75 16.47 170 L+74 16.36 169 L+73 16.0 168 L+72 15.95 167 L+71 15.77 166 L+70 15.63 165 L+69 15.54 164 L+68 15.37 163 L+67 15.35 162 L+66 15.04 161 L+65 14.91 160 L+64 14.9 159 L+63 14.72 158 L+62 14.55 157 L+61 14.43 156 L+60 14.21 155 L+59 14.03 154 L+58 13.91 153 L+57 13.66 152 L+56 13.53 151 L+55 13.3 150 L+54 13.16 149 L+53 12.88 148 L+52 12.29 147 L+51 12.13 146 L+50 11.17 145 L+49 10.7 144 L+48 10.35 143 L+47 10.05 142 L+46 9.7 141 L+45 8.89 140 L+44 8.48 139 L+43 8.32 138 L+42 8.09 137 L+41 7.99 136 L+40 7.74 135 L+39 7.67 134 L+38 7.37 133 L+37 6.93 132 L+36 6.91 131 L+35 6.83 130 L+34 6.67 129 L+33 6.58 128 L+32 6.37 127 L+31 6.27 126 L+30 6.19 125 L+29 6.03 124 L+28 5.88 123 L+27 5.7 122 L+26 5.38 121 L+25 5.27 120 L+24 5.17 119 L+23 5.01 118 L+22 4.96 117 L+21 4.82 116 L+20 4.73 115 L+19 4.6 114 L+18 4.43 113 L+17 4.39 112 L+16 4.3 111 L+15 4.13 110 L+14 4.08 109 L+13 3.92 108 L+12 3.79 107 L+11 3.4 106 L+10 3.35 105 L+9 3.2 104 L+8 3.13 103 L+7 2.87 102 L+6 2.83 101 L+5 2.5 100 L+4 2.38 99 L+3 2.02 98 L+2 0.56 97 L+1 -0.26 96 LUMO -0.94 95 HOMO -5.07 94 H-1 -5.4 93 H-2 -5.5 92 H-3 -5.66 91 H-4 -5.73 90 H-5 -5.94 89 H-6 -6.3 88 H-7 -6.89 87 H-8 -7.54 86 H-9 -8.23 85 H-10 -8.45 84 H-11 -8.84 83 H-12 -9.0 82 H-13 -9.17 81 H-14 -9.42 80 H-15 -9.51 79 H-16 -9.62 78 H-17 -9.66 77 H-18 -9.68 76 H-19 -9.98 75 H-20 -10.0 74 H-21 -10.06 73 H-22 -10.17 72 H-23 -10.26 71 H-24 -10.43 70 H-25 -10.73 69 H-26 -10.87 68 H-27 -11.09 67 H-28 -11.18 66 H-29 -11.38 65 H-30 -11.57 64 H-31 -11.82 63 H-32 -11.97 62 H-33 -12.1 61 H-34 -12.14 60 H-35 -12.39 59 H-36 -12.54 58 H-37 -12.68 57 H-38 -12.81 56 H-39 -13.02 55 H-40 -13.28 54 H-41 -13.49 53 H-42 -13.81 52 H-43 -14.52 51 H-44 -14.62 50 H-45 -14.89 49 H-46 -15.35 48 H-47 -15.69 47 H-48 -16.27 46 H-49 -16.53 45 H-50 -17.05 44 H-51 -17.29 43 H-52 -17.49 42 H-53 -17.87 41 H-54 -18.62 40 H-55 -20.09 39 H-56 -20.31 38 H-57 -20.86 37 H-58 -20.89 36 H-59 -21.21 35 H-60 -23.0 34 H-61 -23.6 33 H-62 -24.24 32 H-63 -24.88 31 H-64 -26.03 30 H-65 -26.6 29 H-66 -26.78 28 H-67 -27.08 27 H-68 -33.1 26 H-69 -276.62 25 H-70 -276.82 24 H-71 -277.3 23 H-72 -277.36 22 H-73 -277.38 21 H-74 -277.47 20 H-75 -277.51 19 H-76 -277.71 18 H-77 -277.73 17 H-78 -277.75 16 H-79 -277.9 15 H-80 -277.97 14 H-81 -278.2 13 H-82 -278.57 12 H-83 -278.63 11 H-84 -278.64 10 H-85 -278.64 9 H-86 -278.78 8 H-87 -279.4 7 H-88 -389.79 6 H-89 -390.52 5 H-90 -391.7 4 H-91 -518.27 3 H-92 -518.28 2 H-93 -519.51 1 H-94 -672.34