NBasis: 485 HOMO: 95 MO eV 485 L+389 155.62 484 L+388 135.86 483 L+387 132.29 482 L+386 128.98 481 L+385 127.87 480 L+384 127.61 479 L+383 126.98 478 L+382 125.48 477 L+381 123.89 476 L+380 123.21 475 L+379 123.04 474 L+378 122.1 473 L+377 121.56 472 L+376 120.82 471 L+375 120.43 470 L+374 119.6 469 L+373 118.68 468 L+372 116.08 467 L+371 115.04 466 L+370 113.47 465 L+369 112.93 464 L+368 112.31 463 L+367 111.38 462 L+366 109.68 461 L+365 108.93 460 L+364 106.44 459 L+363 99.92 458 L+362 98.34 457 L+361 96.34 456 L+360 95.86 455 L+359 95.35 454 L+358 95.18 453 L+357 94.75 452 L+356 94.17 451 L+355 94.1 450 L+354 93.86 449 L+353 92.73 448 L+352 92.1 447 L+351 91.55 446 L+350 90.82 445 L+349 90.26 444 L+348 90.16 443 L+347 89.45 442 L+346 89.07 441 L+345 88.67 440 L+344 88.48 439 L+343 87.8 438 L+342 87.31 437 L+341 86.97 436 L+340 86.13 435 L+339 85.62 434 L+338 85.15 433 L+337 83.99 432 L+336 83.5 431 L+335 82.81 430 L+334 82.66 429 L+333 82.17 428 L+332 82.0 427 L+331 81.67 426 L+330 81.14 425 L+329 80.82 424 L+328 80.51 423 L+327 80.14 422 L+326 79.81 421 L+325 79.56 420 L+324 79.43 419 L+323 78.61 418 L+322 78.42 417 L+321 78.0 416 L+320 77.91 415 L+319 77.6 414 L+318 77.33 413 L+317 77.28 412 L+316 76.88 411 L+315 76.57 410 L+314 75.95 409 L+313 75.72 408 L+312 75.46 407 L+311 75.28 406 L+310 75.11 405 L+309 74.8 404 L+308 74.58 403 L+307 74.55 402 L+306 74.3 401 L+305 73.97 400 L+304 73.81 399 L+303 73.67 398 L+302 73.46 397 L+301 73.41 396 L+300 73.05 395 L+299 72.95 394 L+298 72.83 393 L+297 72.41 392 L+296 71.96 391 L+295 71.65 390 L+294 71.13 389 L+293 70.91 388 L+292 70.77 387 L+291 70.52 386 L+290 70.4 385 L+289 70.2 384 L+288 69.98 383 L+287 69.51 382 L+286 69.27 381 L+285 68.97 380 L+284 68.51 379 L+283 68.23 378 L+282 68.05 377 L+281 67.68 376 L+280 67.48 375 L+279 67.19 374 L+278 66.91 373 L+277 66.73 372 L+276 66.12 371 L+275 65.83 370 L+274 65.67 369 L+273 65.28 368 L+272 65.03 367 L+271 64.87 366 L+270 64.37 365 L+269 63.97 364 L+268 63.81 363 L+267 63.6 362 L+266 63.22 361 L+265 62.95 360 L+264 62.74 359 L+263 62.54 358 L+262 61.85 357 L+261 61.62 356 L+260 61.42 355 L+259 61.38 354 L+258 61.04 353 L+257 60.64 352 L+256 60.11 351 L+255 60.05 350 L+254 59.83 349 L+253 59.36 348 L+252 59.12 347 L+251 58.76 346 L+250 58.49 345 L+249 58.32 344 L+248 57.86 343 L+247 57.7 342 L+246 57.53 341 L+245 57.43 340 L+244 57.31 339 L+243 57.2 338 L+242 57.02 337 L+241 56.74 336 L+240 56.62 335 L+239 56.39 334 L+238 56.17 333 L+237 55.95 332 L+236 55.88 331 L+235 55.77 330 L+234 55.58 329 L+233 55.52 328 L+232 55.28 327 L+231 55.16 326 L+230 54.69 325 L+229 54.41 324 L+228 54.12 323 L+227 54.06 322 L+226 53.69 321 L+225 53.57 320 L+224 53.5 319 L+223 53.37 318 L+222 53.22 317 L+221 53.01 316 L+220 52.94 315 L+219 52.69 314 L+218 52.59 313 L+217 52.18 312 L+216 52.1 311 L+215 51.98 310 L+214 51.66 309 L+213 51.62 308 L+212 51.48 307 L+211 51.36 306 L+210 51.24 305 L+209 51.15 304 L+208 50.91 303 L+207 50.75 302 L+206 50.48 301 L+205 50.35 300 L+204 50.19 299 L+203 49.86 298 L+202 49.52 297 L+201 49.32 296 L+200 49.2 295 L+199 48.92 294 L+198 48.7 293 L+197 48.12 292 L+196 48.04 291 L+195 47.71 290 L+194 47.37 289 L+193 47.34 288 L+192 47.13 287 L+191 46.94 286 L+190 46.84 285 L+189 46.52 284 L+188 46.13 283 L+187 45.89 282 L+186 45.47 281 L+185 45.12 280 L+184 44.79 279 L+183 44.21 278 L+182 44.19 277 L+181 43.79 276 L+180 43.1 275 L+179 42.69 274 L+178 42.38 273 L+177 42.15 272 L+176 41.36 271 L+175 41.07 270 L+174 40.61 269 L+173 40.14 268 L+172 39.84 267 L+171 39.51 266 L+170 39.35 265 L+169 39.03 264 L+168 38.9 263 L+167 38.8 262 L+166 38.54 261 L+165 38.34 260 L+164 38.0 259 L+163 37.9 258 L+162 37.42 257 L+161 37.11 256 L+160 36.78 255 L+159 36.64 254 L+158 36.15 253 L+157 35.91 252 L+156 35.78 251 L+155 35.32 250 L+154 34.63 249 L+153 34.47 248 L+152 34.38 247 L+151 34.22 246 L+150 34.03 245 L+149 33.83 244 L+148 33.47 243 L+147 33.16 242 L+146 32.93 241 L+145 32.58 240 L+144 32.54 239 L+143 31.65 238 L+142 31.41 237 L+141 30.73 236 L+140 30.62 235 L+139 30.38 234 L+138 30.03 233 L+137 29.44 232 L+136 29.23 231 L+135 28.99 230 L+134 28.68 229 L+133 28.3 228 L+132 28.24 227 L+131 27.77 226 L+130 27.67 225 L+129 26.88 224 L+128 26.59 223 L+127 26.46 222 L+126 26.44 221 L+125 26.29 220 L+124 26.12 219 L+123 26.08 218 L+122 25.96 217 L+121 25.59 216 L+120 25.47 215 L+119 25.24 214 L+118 25.19 213 L+117 24.87 212 L+116 24.73 211 L+115 24.61 210 L+114 24.43 209 L+113 24.22 208 L+112 24.03 207 L+111 24.02 206 L+110 23.71 205 L+109 23.69 204 L+108 23.48 203 L+107 23.39 202 L+106 23.28 201 L+105 23.07 200 L+104 22.79 199 L+103 22.56 198 L+102 22.39 197 L+101 22.3 196 L+100 22.04 195 L+99 21.72 194 L+98 21.68 193 L+97 21.62 192 L+96 21.5 191 L+95 21.39 190 L+94 21.27 189 L+93 21.09 188 L+92 20.68 187 L+91 20.44 186 L+90 20.38 185 L+89 19.88 184 L+88 19.75 183 L+87 19.47 182 L+86 19.29 181 L+85 19.13 180 L+84 18.95 179 L+83 18.86 178 L+82 18.37 177 L+81 18.05 176 L+80 17.94 175 L+79 17.59 174 L+78 17.45 173 L+77 17.4 172 L+76 17.34 171 L+75 17.08 170 L+74 16.86 169 L+73 16.53 168 L+72 16.48 167 L+71 16.07 166 L+70 16.03 165 L+69 15.95 164 L+68 15.73 163 L+67 15.71 162 L+66 15.42 161 L+65 15.37 160 L+64 15.14 159 L+63 15.03 158 L+62 14.9 157 L+61 14.69 156 L+60 14.58 155 L+59 14.42 154 L+58 14.11 153 L+57 14.07 152 L+56 13.74 151 L+55 13.48 150 L+54 13.38 149 L+53 13.35 148 L+52 13.18 147 L+51 12.78 146 L+50 12.36 145 L+49 11.92 144 L+48 11.22 143 L+47 10.8 142 L+46 10.43 141 L+45 10.19 140 L+44 9.79 139 L+43 9.26 138 L+42 8.79 137 L+41 8.36 136 L+40 8.11 135 L+39 7.6 134 L+38 7.42 133 L+37 7.3 132 L+36 7.15 131 L+35 7.06 130 L+34 6.91 129 L+33 6.74 128 L+32 6.54 127 L+31 6.27 126 L+30 6.06 125 L+29 5.88 124 L+28 5.73 123 L+27 5.64 122 L+26 5.45 121 L+25 5.32 120 L+24 5.13 119 L+23 5.07 118 L+22 5.02 117 L+21 4.89 116 L+20 4.79 115 L+19 4.68 114 L+18 4.64 113 L+17 4.56 112 L+16 4.41 111 L+15 4.17 110 L+14 4.1 109 L+13 4.01 108 L+12 3.84 107 L+11 3.68 106 L+10 3.59 105 L+9 3.5 104 L+8 3.26 103 L+7 3.17 102 L+6 2.7 101 L+5 2.5 100 L+4 2.01 99 L+3 1.91 98 L+2 0.66 97 L+1 -0.34 96 LUMO -0.95 95 HOMO -5.09 94 H-1 -5.35 93 H-2 -5.48 92 H-3 -5.54 91 H-4 -5.69 90 H-5 -5.9 89 H-6 -6.34 88 H-7 -6.62 87 H-8 -7.25 86 H-9 -8.42 85 H-10 -8.89 84 H-11 -8.98 83 H-12 -9.2 82 H-13 -9.33 81 H-14 -9.49 80 H-15 -9.52 79 H-16 -9.66 78 H-17 -9.84 77 H-18 -10.0 76 H-19 -10.08 75 H-20 -10.12 74 H-21 -10.26 73 H-22 -10.38 72 H-23 -10.61 71 H-24 -10.65 70 H-25 -10.81 69 H-26 -10.94 68 H-27 -11.18 67 H-28 -11.23 66 H-29 -11.6 65 H-30 -11.87 64 H-31 -12.02 63 H-32 -12.14 62 H-33 -12.27 61 H-34 -12.29 60 H-35 -12.51 59 H-36 -12.58 58 H-37 -12.72 57 H-38 -12.79 56 H-39 -12.97 55 H-40 -13.44 54 H-41 -13.68 53 H-42 -13.79 52 H-43 -14.43 51 H-44 -14.55 50 H-45 -15.08 49 H-46 -15.19 48 H-47 -15.63 47 H-48 -16.8 46 H-49 -17.24 45 H-50 -17.41 44 H-51 -17.73 43 H-52 -17.78 42 H-53 -18.99 41 H-54 -19.5 40 H-55 -19.89 39 H-56 -20.75 38 H-57 -20.85 37 H-58 -21.13 36 H-59 -21.96 35 H-60 -23.31 34 H-61 -24.25 33 H-62 -24.78 32 H-63 -25.87 31 H-64 -26.63 30 H-65 -26.78 29 H-66 -27.11 28 H-67 -29.36 27 H-68 -33.09 26 H-69 -276.68 25 H-70 -277.15 24 H-71 -277.26 23 H-72 -277.42 22 H-73 -277.53 21 H-74 -277.68 20 H-75 -277.68 19 H-76 -277.82 18 H-77 -277.84 17 H-78 -278.29 16 H-79 -278.54 15 H-80 -278.64 14 H-81 -278.65 13 H-82 -278.76 12 H-83 -278.85 11 H-84 -278.94 10 H-85 -279.1 9 H-86 -279.46 8 H-87 -389.8 7 H-88 -390.31 6 H-89 -391.71 5 H-90 -518.28 4 H-91 -518.29 3 H-92 -519.56 2 H-93 -522.16 1 H-94 -672.31