NBasis: 460 HOMO: 89 MO eV 460 L+370 152.21 459 L+369 131.67 458 L+368 129.09 457 L+367 127.8 456 L+366 126.83 455 L+365 126.19 454 L+364 124.57 453 L+363 124.09 452 L+362 121.9 451 L+361 120.91 450 L+360 120.3 449 L+359 119.75 448 L+358 119.0 447 L+357 117.77 446 L+356 116.76 445 L+355 116.02 444 L+354 113.49 443 L+353 113.07 442 L+352 112.49 441 L+351 112.23 440 L+350 111.54 439 L+349 110.27 438 L+348 109.36 437 L+347 108.06 436 L+346 102.38 435 L+345 96.1 434 L+344 95.8 433 L+343 95.36 432 L+342 95.12 431 L+341 94.76 430 L+340 94.55 429 L+339 94.17 428 L+338 94.11 427 L+337 93.38 426 L+336 93.18 425 L+335 93.16 424 L+334 91.55 423 L+333 90.76 422 L+332 90.35 421 L+331 89.51 420 L+330 89.47 419 L+329 88.98 418 L+328 88.74 417 L+327 88.26 416 L+326 87.82 415 L+325 87.28 414 L+324 87.2 413 L+323 85.95 412 L+322 85.13 411 L+321 85.04 410 L+320 84.01 409 L+319 83.78 408 L+318 82.46 407 L+317 82.16 406 L+316 81.71 405 L+315 81.21 404 L+314 80.87 403 L+313 80.29 402 L+312 79.93 401 L+311 79.54 400 L+310 79.14 399 L+309 78.67 398 L+308 78.48 397 L+307 78.37 396 L+306 77.99 395 L+305 77.94 394 L+304 77.54 393 L+303 77.25 392 L+302 77.04 391 L+301 76.85 390 L+300 76.61 389 L+299 76.42 388 L+298 76.21 387 L+297 75.9 386 L+296 75.68 385 L+295 74.91 384 L+294 74.82 383 L+293 74.66 382 L+292 74.31 381 L+291 74.02 380 L+290 73.89 379 L+289 73.5 378 L+288 73.2 377 L+287 72.81 376 L+286 72.7 375 L+285 72.58 374 L+284 72.43 373 L+283 71.75 372 L+282 71.57 371 L+281 71.4 370 L+280 70.91 369 L+279 70.84 368 L+278 70.59 367 L+277 70.42 366 L+276 70.33 365 L+275 70.2 364 L+274 69.54 363 L+273 69.45 362 L+272 68.93 361 L+271 68.44 360 L+270 68.12 359 L+269 67.85 358 L+268 67.74 357 L+267 67.51 356 L+266 67.28 355 L+265 67.21 354 L+264 66.95 353 L+263 66.63 352 L+262 66.05 351 L+261 65.94 350 L+260 65.71 349 L+259 65.54 348 L+258 65.07 347 L+257 64.73 346 L+256 64.5 345 L+255 64.05 344 L+254 63.88 343 L+253 63.45 342 L+252 63.13 341 L+251 62.8 340 L+250 62.75 339 L+249 62.55 338 L+248 61.9 337 L+247 61.72 336 L+246 61.26 335 L+245 61.14 334 L+244 60.95 333 L+243 60.56 332 L+242 60.37 331 L+241 60.22 330 L+240 59.93 329 L+239 59.56 328 L+238 59.48 327 L+237 58.76 326 L+236 58.45 325 L+235 58.19 324 L+234 58.11 323 L+233 57.9 322 L+232 57.82 321 L+231 57.49 320 L+230 57.22 319 L+229 56.85 318 L+228 56.62 317 L+227 56.5 316 L+226 56.27 315 L+225 55.88 314 L+224 55.73 313 L+223 55.36 312 L+222 55.22 311 L+221 55.09 310 L+220 54.93 309 L+219 54.77 308 L+218 54.66 307 L+217 54.63 306 L+216 54.23 305 L+215 53.94 304 L+214 53.78 303 L+213 53.27 302 L+212 53.06 301 L+211 52.88 300 L+210 52.72 299 L+209 52.56 298 L+208 52.1 297 L+207 51.95 296 L+206 51.71 295 L+205 51.47 294 L+204 51.26 293 L+203 51.13 292 L+202 50.9 291 L+201 50.81 290 L+200 50.69 289 L+199 50.56 288 L+198 50.34 287 L+197 50.23 286 L+196 50.01 285 L+195 49.74 284 L+194 49.62 283 L+193 49.39 282 L+192 49.08 281 L+191 48.99 280 L+190 48.92 279 L+189 48.89 278 L+188 48.49 277 L+187 48.37 276 L+186 48.06 275 L+185 47.38 274 L+184 47.06 273 L+183 47.01 272 L+182 46.9 271 L+181 46.84 270 L+180 46.19 269 L+179 45.94 268 L+178 45.39 267 L+177 44.86 266 L+176 44.83 265 L+175 44.41 264 L+174 43.58 263 L+173 43.22 262 L+172 42.94 261 L+171 42.51 260 L+170 42.47 259 L+169 42.13 258 L+168 41.27 257 L+167 41.09 256 L+166 40.8 255 L+165 40.07 254 L+164 39.66 253 L+163 39.32 252 L+162 39.04 251 L+161 38.42 250 L+160 38.29 249 L+159 38.19 248 L+158 38.07 247 L+157 37.76 246 L+156 37.47 245 L+155 37.05 244 L+154 36.87 243 L+153 36.42 242 L+152 35.93 241 L+151 35.74 240 L+150 35.34 239 L+149 35.25 238 L+148 35.06 237 L+147 34.6 236 L+146 34.24 235 L+145 34.14 234 L+144 33.98 233 L+143 33.6 232 L+142 33.19 231 L+141 33.11 230 L+140 32.54 229 L+139 32.48 228 L+138 31.83 227 L+137 31.6 226 L+136 31.02 225 L+135 30.91 224 L+134 30.49 223 L+133 30.38 222 L+132 29.8 221 L+131 29.31 220 L+130 28.7 219 L+129 28.52 218 L+128 28.23 217 L+127 27.84 216 L+126 27.76 215 L+125 27.36 214 L+124 27.21 213 L+123 26.98 212 L+122 26.67 211 L+121 26.19 210 L+120 26.07 209 L+119 25.79 208 L+118 25.49 207 L+117 25.4 206 L+116 25.19 205 L+115 25.09 204 L+114 24.95 203 L+113 24.86 202 L+112 24.45 201 L+111 24.27 200 L+110 24.08 199 L+109 23.91 198 L+108 23.79 197 L+107 23.67 196 L+106 23.53 195 L+105 23.48 194 L+104 23.26 193 L+103 23.04 192 L+102 22.81 191 L+101 22.69 190 L+100 22.69 189 L+99 22.44 188 L+98 22.42 187 L+97 22.18 186 L+96 22.07 185 L+95 21.96 184 L+94 21.83 183 L+93 21.5 182 L+92 21.28 181 L+91 20.87 180 L+90 20.81 179 L+89 20.7 178 L+88 20.34 177 L+87 19.85 176 L+86 19.65 175 L+85 19.23 174 L+84 19.04 173 L+83 18.52 172 L+82 18.41 171 L+81 18.26 170 L+80 17.9 169 L+79 17.8 168 L+78 17.71 167 L+77 17.58 166 L+76 17.18 165 L+75 16.99 164 L+74 16.88 163 L+73 16.63 162 L+72 16.32 161 L+71 16.24 160 L+70 16.15 159 L+69 16.0 158 L+68 15.85 157 L+67 15.66 156 L+66 15.46 155 L+65 15.42 154 L+64 15.36 153 L+63 15.15 152 L+62 14.94 151 L+61 14.82 150 L+60 14.71 149 L+59 14.54 148 L+58 14.51 147 L+57 14.44 146 L+56 14.16 145 L+55 14.04 144 L+54 13.81 143 L+53 13.69 142 L+52 13.48 141 L+51 13.23 140 L+50 13.13 139 L+49 12.87 138 L+48 11.69 137 L+47 11.01 136 L+46 10.81 135 L+45 9.79 134 L+44 9.73 133 L+43 9.35 132 L+42 8.73 131 L+41 8.6 A 130 L+40 7.8 A 129 L+39 7.6 A 128 L+38 7.26 127 L+37 6.97 126 L+36 6.88 125 L+35 6.82 124 L+34 6.68 123 L+33 6.65 122 L+32 6.46 121 L+31 6.03 120 L+30 5.78 119 L+29 5.74 118 L+28 5.42 117 L+27 5.39 116 L+26 5.12 115 L+25 4.96 114 L+24 4.9 A 113 L+23 4.86 112 L+22 4.79 111 L+21 4.72 110 L+20 4.67 109 L+19 4.46 108 L+18 4.39 107 L+17 4.21 106 L+16 4.17 105 L+15 4.02 104 L+14 3.7 A 103 L+13 3.66 102 L+12 3.61 101 L+11 3.43 100 L+10 3.25 99 L+9 3.15 A 98 L+8 2.83 A 97 L+7 2.68 A 96 L+6 2.59 A 95 L+5 2.34 A 94 L+4 2.24 A 93 L+3 1.33 A 92 L+2 0.63 A 91 L+1 -0.12 A 90 LUMO -0.29 89 HOMO -5.44 88 H-1 -6.81 A 87 H-2 -6.88 A 86 H-3 -6.96 A 85 H-4 -7.1 A 84 H-5 -7.28 A 83 H-6 -7.9 A 82 H-7 -8.35 A 81 H-8 -8.47 A 80 H-9 -8.52 A 79 H-10 -9.5 78 H-11 -9.67 77 H-12 -9.78 76 H-13 -10.05 75 H-14 -10.06 74 H-15 -10.14 73 H-16 -10.39 72 H-17 -10.53 71 H-18 -10.72 70 H-19 -10.88 69 H-20 -10.99 68 H-21 -11.24 67 H-22 -11.44 66 H-23 -11.64 65 H-24 -11.77 64 H-25 -11.8 63 H-26 -11.91 62 H-27 -11.98 61 H-28 -12.17 60 H-29 -12.3 59 H-30 -12.53 58 H-31 -12.73 57 H-32 -12.79 56 H-33 -12.89 55 H-34 -12.96 54 H-35 -13.14 53 H-36 -13.43 52 H-37 -13.62 51 H-38 -13.9 50 H-39 -14.42 49 H-40 -14.7 48 H-41 -14.88 47 H-42 -15.51 46 H-43 -15.87 45 H-44 -16.24 44 H-45 -16.58 43 H-46 -17.48 42 H-47 -17.6 41 H-48 -17.99 40 H-49 -18.81 39 H-50 -19.15 38 H-51 -20.2 37 H-52 -20.54 36 H-53 -20.86 35 H-54 -21.09 34 H-55 -21.76 33 H-56 -23.27 32 H-57 -25.21 31 H-58 -25.63 30 H-59 -26.29 29 H-60 -28.01 28 H-61 -28.13 27 H-62 -28.23 26 H-63 -30.56 25 H-64 -33.2 24 H-65 -277.25 23 H-66 -277.44 22 H-67 -277.47 21 H-68 -277.5 20 H-69 -277.93 19 H-70 -277.98 18 H-71 -278.42 17 H-72 -278.42 16 H-73 -278.43 15 H-74 -278.44 14 H-75 -278.74 13 H-76 -278.81 12 H-77 -279.34 11 H-78 -279.55 10 H-79 -280.09 9 H-80 -281.59 8 H-81 -390.46 7 H-82 -390.9 6 H-83 -391.67 5 H-84 -520.15 4 H-85 -520.75 3 H-86 -521.16 2 H-87 -522.44 1 H-88 -672.42