NBasis: 475 HOMO: 96 MO eV 475 L+378 164.92 474 L+377 153.62 473 L+376 132.93 472 L+375 128.96 471 L+374 128.17 470 L+373 127.5 469 L+372 127.34 468 L+371 125.6 467 L+370 123.11 466 L+369 122.96 465 L+368 121.94 464 L+367 121.58 463 L+366 120.88 462 L+365 120.25 461 L+364 119.53 460 L+363 119.31 459 L+362 115.74 458 L+361 115.27 457 L+360 114.62 456 L+359 113.03 455 L+358 112.7 454 L+357 112.1 453 L+356 111.66 452 L+355 110.46 451 L+354 108.93 450 L+353 106.39 449 L+352 99.66 448 L+351 98.1 447 L+350 96.3 446 L+349 96.0 445 L+348 95.79 444 L+347 95.02 443 L+346 94.69 442 L+345 94.08 441 L+344 93.26 440 L+343 92.7 439 L+342 92.02 438 L+341 90.75 437 L+340 90.36 436 L+339 90.08 435 L+338 90.05 434 L+337 89.2 433 L+336 88.94 432 L+335 88.59 431 L+334 88.43 430 L+333 87.79 429 L+332 86.96 428 L+331 86.02 427 L+330 85.79 426 L+329 84.97 425 L+328 84.4 424 L+327 83.47 423 L+326 83.02 422 L+325 82.78 421 L+324 82.35 420 L+323 82.08 419 L+322 81.96 418 L+321 81.43 417 L+320 80.92 416 L+319 80.37 415 L+318 80.05 414 L+317 79.79 413 L+316 79.56 412 L+315 79.43 411 L+314 78.68 410 L+313 78.25 409 L+312 77.85 408 L+311 77.47 407 L+310 77.35 406 L+309 77.11 405 L+308 76.89 404 L+307 76.74 403 L+306 76.38 402 L+305 76.11 401 L+304 75.67 400 L+303 75.53 399 L+302 75.34 398 L+301 74.96 397 L+300 74.74 396 L+299 74.5 395 L+298 74.27 394 L+297 73.74 393 L+296 73.64 392 L+295 73.45 391 L+294 73.28 390 L+293 73.04 389 L+292 72.82 388 L+291 72.62 387 L+290 72.04 386 L+289 71.65 385 L+288 71.41 384 L+287 71.11 383 L+286 70.88 382 L+285 70.69 381 L+284 70.53 380 L+283 70.21 379 L+282 70.09 378 L+281 69.89 377 L+280 69.54 376 L+279 69.2 375 L+278 68.78 374 L+277 68.45 373 L+276 68.03 372 L+275 67.81 371 L+274 67.31 370 L+273 67.14 369 L+272 66.93 368 L+271 66.37 367 L+270 66.14 366 L+269 65.88 365 L+268 65.47 364 L+267 65.26 363 L+266 65.07 362 L+265 64.88 361 L+264 64.57 360 L+263 63.93 359 L+262 63.81 358 L+261 63.32 357 L+260 62.93 356 L+259 62.5 355 L+258 62.2 354 L+257 62.1 353 L+256 61.72 352 L+255 61.59 351 L+254 61.35 350 L+253 61.14 349 L+252 60.89 348 L+251 60.38 347 L+250 60.26 346 L+249 59.92 345 L+248 59.52 344 L+247 59.32 343 L+246 59.13 342 L+245 58.87 341 L+244 58.57 340 L+243 58.27 339 L+242 57.98 338 L+241 57.81 337 L+240 57.76 336 L+239 57.55 335 L+238 57.4 334 L+237 57.02 333 L+236 56.88 332 L+235 56.76 331 L+234 56.24 330 L+233 56.16 329 L+232 56.1 328 L+231 55.86 327 L+230 55.62 326 L+229 55.57 325 L+228 55.49 324 L+227 55.32 323 L+226 55.07 322 L+225 54.9 321 L+224 54.47 320 L+223 54.16 319 L+222 54.0 318 L+221 53.71 317 L+220 53.57 316 L+219 53.48 315 L+218 53.22 314 L+217 53.08 313 L+216 52.94 312 L+215 52.83 311 L+214 52.67 310 L+213 52.33 309 L+212 52.15 308 L+211 52.08 307 L+210 51.9 306 L+209 51.8 305 L+208 51.5 304 L+207 51.48 303 L+206 51.27 302 L+205 51.03 301 L+204 50.97 300 L+203 50.67 299 L+202 50.63 298 L+201 50.53 297 L+200 50.21 296 L+199 49.97 295 L+198 49.72 294 L+197 49.6 293 L+196 49.22 292 L+195 49.01 291 L+194 48.89 290 L+193 48.75 289 L+192 48.17 288 L+191 47.73 287 L+190 47.64 286 L+189 47.57 285 L+188 47.26 284 L+187 47.15 283 L+186 46.96 282 L+185 46.64 281 L+184 46.45 280 L+183 46.22 279 L+182 46.13 278 L+181 45.66 277 L+180 45.45 276 L+179 45.08 275 L+178 44.48 274 L+177 44.16 273 L+176 43.91 272 L+175 43.4 271 L+174 43.11 270 L+173 42.33 269 L+172 41.98 268 L+171 41.35 267 L+170 41.03 266 L+169 40.64 265 L+168 40.14 264 L+167 40.04 263 L+166 39.84 262 L+165 39.58 261 L+164 39.23 260 L+163 39.07 259 L+162 38.81 258 L+161 38.77 257 L+160 38.39 256 L+159 38.22 255 L+158 37.95 254 L+157 37.75 253 L+156 37.41 252 L+155 37.17 251 L+154 36.86 250 L+153 36.62 249 L+152 36.45 248 L+151 35.93 247 L+150 35.71 246 L+149 35.49 245 L+148 35.17 244 L+147 34.74 243 L+146 34.46 242 L+145 34.11 241 L+144 34.02 240 L+143 33.8 239 L+142 33.56 238 L+141 33.35 237 L+140 33.19 236 L+139 32.99 235 L+138 32.73 234 L+137 32.57 233 L+136 32.24 232 L+135 31.22 231 L+134 31.17 230 L+133 30.86 229 L+132 30.39 228 L+131 30.29 227 L+130 29.61 226 L+129 29.29 225 L+128 28.79 224 L+127 28.77 223 L+126 28.54 222 L+125 28.14 221 L+124 27.79 220 L+123 27.72 219 L+122 27.47 218 L+121 26.78 217 L+120 26.58 216 L+119 26.37 215 L+118 26.22 214 L+117 25.98 213 L+116 25.92 212 L+115 25.68 211 L+114 25.58 210 L+113 25.43 209 L+112 25.18 208 L+111 24.85 207 L+110 24.74 206 L+109 24.61 205 L+108 24.35 204 L+107 24.3 203 L+106 24.06 202 L+105 23.94 201 L+104 23.69 200 L+103 23.67 199 L+102 23.37 198 L+101 23.17 197 L+100 23.03 196 L+99 22.7 195 L+98 22.55 194 L+97 22.27 193 L+96 22.15 192 L+95 21.94 191 L+94 21.76 190 L+93 21.67 189 L+92 21.54 188 L+91 21.49 187 L+90 21.34 186 L+89 21.0 185 L+88 20.86 184 L+87 20.53 183 L+86 20.45 182 L+85 20.25 181 L+84 19.76 180 L+83 19.61 179 L+82 19.34 178 L+81 19.19 177 L+80 19.06 176 L+79 18.81 175 L+78 18.4 174 L+77 18.05 173 L+76 17.74 172 L+75 17.54 171 L+74 17.4 170 L+73 17.28 169 L+72 17.13 168 L+71 17.01 167 L+70 16.88 166 L+69 16.47 165 L+68 16.31 164 L+67 15.99 163 L+66 15.9 162 L+65 15.83 161 L+64 15.75 160 L+63 15.63 159 L+62 15.34 158 L+61 15.15 157 L+60 15.01 156 L+59 14.93 155 L+58 14.59 154 L+57 14.41 153 L+56 14.32 152 L+55 14.26 151 L+54 13.94 150 L+53 13.65 149 L+52 13.6 148 L+51 13.34 147 L+50 13.23 146 L+49 13.05 145 L+48 12.67 144 L+47 12.3 143 L+46 11.86 142 L+45 11.02 141 L+44 10.92 140 L+43 10.44 139 L+42 9.98 138 L+41 9.35 137 L+40 8.94 136 L+39 8.26 135 L+38 8.07 134 L+37 8.01 133 L+36 7.52 132 L+35 7.27 131 L+34 7.17 130 L+33 7.03 129 L+32 6.85 128 L+31 6.73 127 L+30 6.54 126 L+29 6.31 125 L+28 6.0 124 L+27 5.96 123 L+26 5.67 122 L+25 5.6 121 L+24 5.32 120 L+23 5.18 119 L+22 5.09 118 L+21 4.88 117 L+20 4.76 116 L+19 4.68 115 L+18 4.61 114 L+17 4.47 113 L+16 4.35 112 L+15 4.27 111 L+14 4.11 110 L+13 4.01 109 L+12 3.85 108 L+11 3.7 107 L+10 3.54 106 L+9 3.21 105 L+8 3.12 104 L+7 3.01 103 L+6 2.86 102 L+5 2.6 101 L+4 1.94 100 L+3 1.69 99 L+2 0.48 98 L+1 -0.44 97 LUMO -1.11 96 HOMO -5.14 95 H-1 -5.49 94 H-2 -5.61 93 H-3 -5.69 92 H-4 -5.74 91 H-5 -5.95 90 H-6 -6.43 89 H-7 -6.96 88 H-8 -7.51 87 H-9 -8.87 86 H-10 -9.17 85 H-11 -9.18 84 H-12 -9.25 83 H-13 -9.34 82 H-14 -9.58 81 H-15 -9.68 80 H-16 -9.76 79 H-17 -10.01 78 H-18 -10.09 77 H-19 -10.09 76 H-20 -10.23 75 H-21 -10.26 74 H-22 -10.33 73 H-23 -10.73 72 H-24 -10.9 71 H-25 -11.09 70 H-26 -11.29 69 H-27 -11.38 68 H-28 -11.74 67 H-29 -11.8 66 H-30 -12.11 65 H-31 -12.16 64 H-32 -12.33 63 H-33 -12.45 62 H-34 -12.49 61 H-35 -12.62 60 H-36 -12.84 59 H-37 -12.89 58 H-38 -13.16 57 H-39 -13.38 56 H-40 -13.53 55 H-41 -13.71 54 H-42 -13.87 53 H-43 -14.16 52 H-44 -14.58 51 H-45 -14.81 50 H-46 -15.27 49 H-47 -15.59 48 H-48 -16.4 47 H-49 -16.99 46 H-50 -17.46 45 H-51 -17.61 44 H-52 -17.87 43 H-53 -17.97 42 H-54 -19.45 41 H-55 -20.05 40 H-56 -20.84 39 H-57 -20.93 38 H-58 -21.05 37 H-59 -21.76 36 H-60 -23.47 35 H-61 -24.3 34 H-62 -24.88 33 H-63 -26.04 32 H-64 -26.68 31 H-65 -26.86 30 H-66 -27.21 29 H-67 -32.21 28 H-68 -33.27 27 H-69 -33.6 26 H-70 -276.71 25 H-71 -277.45 24 H-72 -277.54 23 H-73 -277.61 22 H-74 -277.73 21 H-75 -277.74 20 H-76 -277.92 19 H-77 -277.97 18 H-78 -278.33 17 H-79 -278.52 16 H-80 -278.69 15 H-81 -278.84 14 H-82 -278.93 13 H-83 -279.04 12 H-84 -279.3 11 H-85 -279.64 10 H-86 -279.86 9 H-87 -389.84 8 H-88 -390.51 7 H-89 -391.92 6 H-90 -518.32 5 H-91 -518.33 4 H-92 -519.67 3 H-93 -671.55 2 H-94 -672.47 1 H-95 -672.83