NBasis: 450 HOMO: 87 MO eV 450 L+362 154.59 449 L+361 133.27 448 L+360 128.89 447 L+359 127.42 446 L+358 126.33 445 L+357 125.91 444 L+356 125.49 443 L+355 124.08 442 L+354 122.72 441 L+353 121.85 440 L+352 121.4 439 L+351 120.56 438 L+350 119.6 437 L+349 119.48 436 L+348 118.31 435 L+347 116.07 434 L+346 114.8 433 L+345 113.38 432 L+344 112.87 431 L+343 112.42 430 L+342 112.32 429 L+341 110.78 428 L+340 109.01 427 L+339 106.32 426 L+338 100.77 425 L+337 98.54 424 L+336 97.38 423 L+335 96.21 422 L+334 94.79 421 L+333 94.59 420 L+332 94.09 419 L+331 94.01 418 L+330 93.66 417 L+329 92.72 416 L+328 92.14 415 L+327 91.72 414 L+326 90.75 413 L+325 90.07 412 L+324 89.88 411 L+323 89.32 410 L+322 88.74 409 L+321 88.34 408 L+320 88.31 407 L+319 87.44 406 L+318 87.06 405 L+317 86.09 404 L+316 85.31 403 L+315 84.95 402 L+314 84.45 401 L+313 83.58 400 L+312 82.96 399 L+311 82.31 398 L+310 81.42 397 L+309 80.7 396 L+308 80.57 395 L+307 80.25 394 L+306 80.0 393 L+305 79.49 392 L+304 79.37 391 L+303 78.96 390 L+302 78.75 389 L+301 78.13 388 L+300 77.96 387 L+299 77.4 386 L+298 77.3 385 L+297 77.07 384 L+296 76.93 383 L+295 76.6 382 L+294 76.49 381 L+293 76.18 380 L+292 75.91 379 L+291 75.6 378 L+290 75.39 377 L+289 75.16 376 L+288 74.99 375 L+287 74.35 374 L+286 74.1 373 L+285 74.0 372 L+284 73.55 371 L+283 73.44 370 L+282 73.19 369 L+281 72.66 368 L+280 72.41 367 L+279 71.93 366 L+278 71.55 365 L+277 71.48 364 L+276 71.07 363 L+275 70.89 362 L+274 70.82 361 L+273 70.19 360 L+272 69.71 359 L+271 69.43 358 L+270 69.29 357 L+269 69.08 356 L+268 68.79 355 L+267 68.49 354 L+266 68.24 353 L+265 67.97 352 L+264 67.88 351 L+263 67.49 350 L+262 67.14 349 L+261 66.98 348 L+260 66.48 347 L+259 66.19 346 L+258 65.69 345 L+257 65.63 344 L+256 65.33 343 L+255 65.1 342 L+254 64.82 341 L+253 64.31 340 L+252 63.88 339 L+251 63.57 338 L+250 63.3 337 L+249 63.11 336 L+248 63.03 335 L+247 62.93 334 L+246 62.81 333 L+245 62.66 332 L+244 62.31 331 L+243 62.11 330 L+242 61.79 329 L+241 61.4 328 L+240 60.96 327 L+239 60.87 326 L+238 60.4 325 L+237 60.08 324 L+236 60.0 323 L+235 59.66 322 L+234 59.37 321 L+233 59.05 320 L+232 58.9 319 L+231 58.63 318 L+230 58.25 317 L+229 58.07 316 L+228 58.0 315 L+227 57.77 314 L+226 57.6 313 L+225 57.19 312 L+224 57.07 311 L+223 56.86 310 L+222 56.52 309 L+221 56.27 308 L+220 56.18 307 L+219 55.85 306 L+218 55.66 305 L+217 55.44 304 L+216 55.03 303 L+215 54.88 302 L+214 54.26 301 L+213 54.07 300 L+212 53.65 299 L+211 53.61 298 L+210 53.34 297 L+209 52.92 296 L+208 52.68 295 L+207 52.66 294 L+206 52.42 293 L+205 52.12 292 L+204 52.05 291 L+203 51.8 290 L+202 51.71 289 L+201 51.48 288 L+200 51.06 287 L+199 50.78 286 L+198 50.6 285 L+197 50.45 284 L+196 50.34 283 L+195 50.28 282 L+194 50.02 281 L+193 49.86 280 L+192 49.53 279 L+191 49.4 278 L+190 49.15 277 L+189 48.94 276 L+188 48.57 275 L+187 48.28 274 L+186 48.06 273 L+185 47.83 272 L+184 47.59 271 L+183 47.42 270 L+182 47.22 269 L+181 47.11 268 L+180 46.9 267 L+179 46.75 266 L+178 46.61 265 L+177 45.97 264 L+176 45.83 263 L+175 45.39 262 L+174 44.61 261 L+173 44.56 260 L+172 43.85 259 L+171 43.53 258 L+170 43.19 257 L+169 42.43 256 L+168 42.38 255 L+167 42.06 254 L+166 41.73 253 L+165 41.17 252 L+164 40.81 251 L+163 40.59 250 L+162 40.21 249 L+161 39.35 248 L+160 39.02 247 L+159 38.87 246 L+158 38.53 245 L+157 38.5 244 L+156 38.06 243 L+155 37.92 242 L+154 37.76 241 L+153 37.16 240 L+152 37.11 239 L+151 36.88 238 L+150 36.23 237 L+149 36.02 236 L+148 35.54 235 L+147 35.16 234 L+146 34.97 233 L+145 34.58 232 L+144 34.49 231 L+143 33.97 230 L+142 33.63 229 L+141 33.4 228 L+140 33.06 227 L+139 32.83 226 L+138 32.51 225 L+137 32.28 224 L+136 32.13 223 L+135 31.91 222 L+134 31.65 221 L+133 31.33 220 L+132 30.52 219 L+131 30.36 218 L+130 30.14 217 L+129 29.63 216 L+128 29.35 215 L+127 28.71 214 L+126 28.53 213 L+125 28.09 212 L+124 27.9 211 L+123 27.56 210 L+122 27.49 209 L+121 26.82 208 L+120 26.54 207 L+119 26.41 206 L+118 25.89 205 L+117 25.8 204 L+116 25.63 203 L+115 25.38 202 L+114 25.11 201 L+113 25.04 200 L+112 24.78 199 L+111 24.65 198 L+110 24.51 197 L+109 24.31 196 L+108 24.06 195 L+107 23.71 194 L+106 23.58 193 L+105 23.42 192 L+104 23.34 191 L+103 23.03 190 L+102 22.94 189 L+101 22.91 188 L+100 22.65 187 L+99 22.41 186 L+98 22.3 185 L+97 21.89 184 L+96 21.77 183 L+95 21.65 182 L+94 21.51 181 L+93 21.46 180 L+92 21.28 179 L+91 21.09 178 L+90 20.64 177 L+89 20.52 176 L+88 20.24 175 L+87 20.1 174 L+86 19.7 173 L+85 19.51 172 L+84 19.42 171 L+83 19.26 170 L+82 18.9 169 L+81 18.84 168 L+80 18.65 167 L+79 18.33 166 L+78 18.04 165 L+77 17.86 164 L+76 17.53 163 L+75 17.36 162 L+74 17.24 161 L+73 17.16 160 L+72 17.04 159 L+71 16.86 158 L+70 16.6 157 L+69 16.38 156 L+68 16.12 155 L+67 15.88 154 L+66 15.76 153 L+65 15.46 152 L+64 15.25 151 L+63 15.11 150 L+62 14.98 149 L+61 14.91 148 L+60 14.71 147 L+59 14.54 146 L+58 14.24 145 L+57 14.1 144 L+56 13.94 143 L+55 13.69 142 L+54 13.66 141 L+53 13.55 140 L+52 13.36 139 L+51 13.16 138 L+50 13.08 137 L+49 12.71 136 L+48 12.6 135 L+47 12.12 134 L+46 12.04 133 L+45 11.04 132 L+44 10.44 131 L+43 10.15 130 L+42 9.87 129 L+41 9.42 128 L+40 8.77 127 L+39 8.22 126 L+38 8.05 125 L+37 7.78 124 L+36 7.73 123 L+35 7.15 122 L+34 6.76 121 L+33 6.53 120 L+32 6.49 119 L+31 6.21 118 L+30 6.09 117 L+29 5.84 116 L+28 5.77 115 L+27 5.6 A 114 L+26 5.39 113 L+25 5.13 112 L+24 5.0 A 111 L+23 4.75 110 L+22 4.63 109 L+21 4.38 108 L+20 4.23 107 L+19 4.16 106 L+18 3.97 105 L+17 3.88 104 L+16 3.85 103 L+15 3.63 102 L+14 3.54 101 L+13 3.42 100 L+12 3.14 99 L+11 3.1 A 98 L+10 2.99 97 L+9 2.77 A 96 L+8 2.64 A 95 L+7 2.49 A 94 L+6 2.29 A 93 L+5 2.03 A 92 L+4 1.85 A 91 L+3 0.8 A 90 L+2 0.41 A 89 L+1 -0.4 A 88 LUMO -1.1 87 HOMO -5.12 86 H-1 -5.44 A 85 H-2 -5.62 A 84 H-3 -5.72 A 83 H-4 -6.11 A 82 H-5 -6.38 A 81 H-6 -7.03 A 80 H-7 -7.86 A 79 H-8 -8.31 A 78 H-9 -8.5 A 77 H-10 -9.31 76 H-11 -9.58 75 H-12 -9.68 74 H-13 -9.79 73 H-14 -10.07 72 H-15 -10.1 71 H-16 -10.22 70 H-17 -10.38 69 H-18 -10.59 68 H-19 -10.79 67 H-20 -10.95 66 H-21 -11.04 65 H-22 -11.27 64 H-23 -11.34 63 H-24 -11.5 62 H-25 -11.66 61 H-26 -11.75 60 H-27 -12.18 59 H-28 -12.26 58 H-29 -12.64 57 H-30 -12.78 56 H-31 -13.15 55 H-32 -13.26 54 H-33 -13.51 53 H-34 -13.58 52 H-35 -13.86 51 H-36 -13.97 50 H-37 -14.38 49 H-38 -14.68 48 H-39 -15.01 47 H-40 -15.49 46 H-41 -15.88 45 H-42 -16.21 44 H-43 -16.58 43 H-44 -17.06 42 H-45 -17.51 41 H-46 -17.6 40 H-47 -17.9 39 H-48 -18.87 38 H-49 -19.82 37 H-50 -20.45 36 H-51 -21.13 35 H-52 -21.42 34 H-53 -22.14 33 H-54 -23.21 32 H-55 -23.73 31 H-56 -24.29 30 H-57 -26.24 29 H-58 -26.66 28 H-59 -26.88 27 H-60 -27.18 26 H-61 -28.15 25 H-62 -33.29 24 H-63 -276.7 23 H-64 -277.47 22 H-65 -277.52 21 H-66 -277.52 20 H-67 -277.56 19 H-68 -277.62 18 H-69 -278.29 17 H-70 -278.64 16 H-71 -278.67 15 H-72 -278.75 14 H-73 -278.79 13 H-74 -278.81 12 H-75 -278.88 11 H-76 -278.89 10 H-77 -279.34 9 H-78 -279.37 8 H-79 -279.59 7 H-80 -391.09 6 H-81 -391.79 5 H-82 -394.0 4 H-83 -518.31 3 H-84 -518.32 2 H-85 -519.62 1 H-86 -672.54