NBasis: 503 HOMO: 113 MO eV 503 L+389 134.98 502 L+388 130.24 501 L+387 128.22 500 L+386 127.17 499 L+385 126.06 498 L+384 123.91 497 L+383 123.33 496 L+382 123.18 495 L+381 122.79 494 L+380 120.29 493 L+379 119.88 492 L+378 117.86 491 L+377 117.02 490 L+376 115.94 489 L+375 115.52 488 L+374 114.07 487 L+373 112.43 486 L+372 111.84 485 L+371 111.58 484 L+370 111.21 483 L+369 110.86 482 L+368 110.04 481 L+367 109.35 480 L+366 107.49 479 L+365 105.9 478 L+364 105.69 477 L+363 104.49 476 L+362 103.36 475 L+361 97.95 474 L+360 95.54 473 L+359 95.48 472 L+358 95.17 471 L+357 94.98 470 L+356 94.29 469 L+355 93.92 468 L+354 93.84 467 L+353 93.73 466 L+352 93.27 465 L+351 91.83 464 L+350 90.18 463 L+349 89.63 462 L+348 88.62 461 L+347 88.15 460 L+346 87.43 459 L+345 87.28 458 L+344 86.8 457 L+343 84.94 456 L+342 84.54 455 L+341 84.12 454 L+340 83.72 453 L+339 83.25 452 L+338 82.98 451 L+337 82.76 450 L+336 81.7 449 L+335 81.19 448 L+334 80.66 447 L+333 80.44 446 L+332 80.26 445 L+331 79.6 444 L+330 79.42 443 L+329 79.15 442 L+328 78.82 441 L+327 78.57 440 L+326 78.38 439 L+325 78.23 438 L+324 77.6 437 L+323 77.47 436 L+322 77.3 435 L+321 77.09 434 L+320 76.64 433 L+319 76.19 432 L+318 75.69 431 L+317 75.57 430 L+316 75.51 429 L+315 75.12 428 L+314 74.75 427 L+313 74.36 426 L+312 74.2 425 L+311 74.02 424 L+310 73.84 423 L+309 73.54 422 L+308 73.31 421 L+307 73.1 420 L+306 72.53 419 L+305 72.51 418 L+304 72.28 417 L+303 71.85 416 L+302 71.65 415 L+301 71.21 414 L+300 70.8 413 L+299 70.6 412 L+298 69.93 411 L+297 69.66 410 L+296 69.49 409 L+295 69.39 408 L+294 68.79 407 L+293 68.65 406 L+292 67.98 405 L+291 67.63 404 L+290 67.06 403 L+289 66.88 402 L+288 66.71 401 L+287 66.37 400 L+286 66.02 399 L+285 65.89 398 L+284 65.53 397 L+283 65.12 396 L+282 64.76 395 L+281 64.27 394 L+280 63.9 393 L+279 63.79 392 L+278 63.47 391 L+277 63.36 390 L+276 63.12 389 L+275 62.58 388 L+274 62.45 387 L+273 61.79 386 L+272 61.65 385 L+271 61.27 384 L+270 61.07 383 L+269 60.74 382 L+268 60.38 381 L+267 60.09 380 L+266 59.71 379 L+265 59.42 378 L+264 59.38 377 L+263 59.24 376 L+262 59.05 375 L+261 58.73 374 L+260 58.66 373 L+259 58.52 372 L+258 58.24 371 L+257 57.94 370 L+256 57.9 369 L+255 57.55 368 L+254 57.53 367 L+253 57.37 366 L+252 57.16 365 L+251 56.85 364 L+250 56.8 363 L+249 56.57 362 L+248 56.35 361 L+247 56.07 360 L+246 55.84 359 L+245 55.71 358 L+244 55.34 357 L+243 55.14 356 L+242 54.98 355 L+241 54.74 354 L+240 54.59 353 L+239 54.39 352 L+238 54.16 351 L+237 54.13 350 L+236 54.01 349 L+235 53.59 348 L+234 53.38 347 L+233 53.27 346 L+232 52.75 345 L+231 52.46 344 L+230 52.37 343 L+229 52.23 342 L+228 52.07 341 L+227 51.71 340 L+226 51.57 339 L+225 51.5 338 L+224 51.14 337 L+223 50.84 336 L+222 50.75 335 L+221 50.69 334 L+220 50.49 333 L+219 50.47 332 L+218 50.35 331 L+217 50.27 330 L+216 50.15 329 L+215 49.82 328 L+214 49.62 327 L+213 49.6 326 L+212 48.98 325 L+211 48.92 324 L+210 48.81 323 L+209 48.8 322 L+208 48.61 321 L+207 48.4 320 L+206 48.03 319 L+205 47.49 318 L+204 47.09 317 L+203 46.72 316 L+202 46.62 315 L+201 46.1 314 L+200 45.92 313 L+199 45.6 312 L+198 45.38 311 L+197 45.19 310 L+196 44.96 309 L+195 44.77 308 L+194 44.23 307 L+193 44.01 306 L+192 43.7 305 L+191 43.35 304 L+190 43.13 303 L+189 42.71 302 L+188 42.43 301 L+187 42.32 300 L+186 41.72 299 L+185 41.42 298 L+184 41.25 297 L+183 40.89 296 L+182 40.43 295 L+181 40.18 294 L+180 40.01 293 L+179 39.94 292 L+178 39.11 291 L+177 38.57 290 L+176 38.23 289 L+175 38.22 288 L+174 38.02 287 L+173 37.72 286 L+172 37.56 285 L+171 36.82 284 L+170 36.55 283 L+169 36.49 282 L+168 36.01 281 L+167 35.73 280 L+166 35.54 279 L+165 35.34 278 L+164 34.62 277 L+163 34.47 276 L+162 34.02 275 L+161 33.65 274 L+160 33.21 273 L+159 32.9 272 L+158 32.76 271 L+157 32.18 270 L+156 32.03 269 L+155 31.91 268 L+154 31.78 267 L+153 31.34 266 L+152 31.25 265 L+151 31.06 264 L+150 30.63 263 L+149 30.34 262 L+148 30.1 261 L+147 29.72 260 L+146 29.59 259 L+145 29.3 258 L+144 29.14 257 L+143 28.97 256 L+142 28.67 255 L+141 28.63 254 L+140 28.52 253 L+139 28.29 252 L+138 28.22 251 L+137 27.94 250 L+136 27.82 249 L+135 27.56 248 L+134 27.35 247 L+133 27.06 246 L+132 26.96 245 L+131 26.78 244 L+130 26.45 243 L+129 26.32 242 L+128 26.1 241 L+127 25.91 240 L+126 25.67 239 L+125 25.57 238 L+124 25.36 237 L+123 25.14 236 L+122 24.88 235 L+121 24.84 234 L+120 24.73 233 L+119 24.62 232 L+118 24.44 231 L+117 24.33 230 L+116 24.19 229 L+115 24.1 228 L+114 23.76 227 L+113 23.66 226 L+112 23.54 225 L+111 23.42 224 L+110 23.29 223 L+109 23.09 222 L+108 22.9 221 L+107 22.85 220 L+106 22.71 219 L+105 22.4 218 L+104 22.34 217 L+103 22.24 216 L+102 22.16 215 L+101 21.97 214 L+100 21.83 213 L+99 21.73 212 L+98 21.44 211 L+97 21.25 210 L+96 20.99 209 L+95 20.78 208 L+94 20.51 207 L+93 20.36 206 L+92 20.14 205 L+91 19.91 204 L+90 19.71 203 L+89 19.39 202 L+88 19.27 201 L+87 18.79 200 L+86 18.75 199 L+85 18.66 198 L+84 18.52 197 L+83 18.29 196 L+82 18.2 195 L+81 18.05 194 L+80 17.74 193 L+79 17.69 192 L+78 17.53 191 L+77 17.52 190 L+76 17.21 189 L+75 16.95 188 L+74 16.77 187 L+73 16.59 186 L+72 16.31 185 L+71 16.13 184 L+70 15.89 183 L+69 15.8 182 L+68 15.6 181 L+67 15.59 180 L+66 15.41 179 L+65 15.0 178 L+64 14.96 177 L+63 14.79 176 L+62 14.68 175 L+61 14.15 174 L+60 13.93 173 L+59 13.87 172 L+58 13.79 171 L+57 12.95 170 L+56 12.87 169 L+55 11.97 168 L+54 11.83 167 L+53 11.28 166 L+52 11.1 165 L+51 10.98 164 L+50 10.83 163 L+49 10.64 162 L+48 10.29 161 L+47 10.19 160 L+46 10.12 159 L+45 9.88 158 L+44 9.75 157 L+43 9.29 156 L+42 8.92 155 L+41 8.83 154 L+40 8.3 A 153 L+39 7.89 152 L+38 7.79 151 L+37 7.57 150 L+36 7.29 149 L+35 7.15 148 L+34 7.06 147 L+33 6.78 146 L+32 6.58 145 L+31 6.42 144 L+30 6.22 143 L+29 6.07 142 L+28 6.01 141 L+27 5.92 140 L+26 5.58 139 L+25 5.5 A 138 L+24 5.19 137 L+23 4.88 136 L+22 4.74 135 L+21 4.72 134 L+20 4.5 A 133 L+19 4.42 132 L+18 4.37 131 L+17 4.25 130 L+16 4.09 129 L+15 3.8 A 128 L+14 3.7 A 127 L+13 3.43 126 L+12 3.26 125 L+11 3.15 124 L+10 2.94 123 L+9 2.88 A 122 L+8 2.7 A 121 L+7 2.41 A 120 L+6 2.17 A 119 L+5 1.89 A 118 L+4 0.97 A 117 L+3 0.32 A 116 L+2 0.31 A 115 L+1 -0.04 A 114 LUMO -1.16 113 HOMO -5.44 112 H-1 -5.81 A 111 H-2 -5.99 A 110 H-3 -6.25 A 109 H-4 -6.29 A 108 H-5 -6.55 A 107 H-6 -6.59 A 106 H-7 -6.7 A 105 H-8 -7.18 A 104 H-9 -7.42 A 103 H-10 -7.52 102 H-11 -7.73 101 H-12 -7.78 100 H-13 -8.06 99 H-14 -8.09 98 H-15 -8.48 97 H-16 -8.72 96 H-17 -8.76 95 H-18 -8.96 94 H-19 -9.0 93 H-20 -9.42 92 H-21 -9.56 91 H-22 -9.62 90 H-23 -9.89 89 H-24 -9.93 88 H-25 -10.08 87 H-26 -10.11 86 H-27 -10.34 85 H-28 -10.4 84 H-29 -10.49 83 H-30 -10.69 82 H-31 -10.9 81 H-32 -10.98 80 H-33 -11.1 79 H-34 -11.16 78 H-35 -11.4 77 H-36 -11.6 76 H-37 -11.76 75 H-38 -11.87 74 H-39 -11.9 73 H-40 -12.08 72 H-41 -12.22 71 H-42 -12.56 70 H-43 -12.83 69 H-44 -12.9 68 H-45 -13.22 67 H-46 -13.5 66 H-47 -13.56 65 H-48 -13.82 64 H-49 -13.99 63 H-50 -14.7 62 H-51 -15.17 61 H-52 -15.74 60 H-53 -15.97 59 H-54 -16.38 58 H-55 -16.58 57 H-56 -16.89 56 H-57 -17.81 55 H-58 -18.56 54 H-59 -19.66 53 H-60 -19.83 52 H-61 -20.61 51 H-62 -20.93 50 H-63 -21.7 49 H-64 -23.67 48 H-65 -24.66 47 H-66 -24.78 46 H-67 -24.93 45 H-68 -25.92 44 H-69 -26.13 43 H-70 -26.21 42 H-71 -26.69 41 H-72 -27.22 40 H-73 -28.05 39 H-74 -28.3 38 H-75 -29.33 37 H-76 -30.02 36 H-77 -161.4 35 H-78 -161.51 34 H-79 -161.61 33 H-80 -165.69 32 H-81 -165.69 31 H-82 -165.74 30 H-83 -217.01 29 H-84 -221.09 28 H-85 -276.53 27 H-86 -276.76 26 H-87 -276.89 25 H-88 -277.96 24 H-89 -278.35 23 H-90 -278.35 22 H-91 -278.42 21 H-92 -278.43 20 H-93 -278.51 19 H-94 -278.95 18 H-95 -279.99 17 H-96 -280.03 16 H-97 -280.05 15 H-98 -389.82 14 H-99 -390.38 13 H-100 -390.72 12 H-101 -390.77 11 H-102 -391.35 10 H-103 -518.82 9 H-104 -519.07 8 H-105 -520.02 7 H-106 -520.03 6 H-107 -520.07 5 H-108 -520.23 4 H-109 -520.54 3 H-110 -521.87 2 H-111 -2419.45 1 H-112 -2424.72