NBasis: 542 HOMO: 121 Groups: 0 MO eV Symmetry 542 L+420 133.37 A 541 L+419 130.6 A 540 L+418 130.09 A 539 L+417 128.88 A 538 L+416 127.41 A 537 L+415 125.63 A 536 L+414 124.66 A 535 L+413 123.81 A 534 L+412 122.6 A 533 L+411 121.93 A 532 L+410 120.67 A 531 L+409 120.12 A 530 L+408 119.43 A 529 L+407 119.32 A 528 L+406 118.29 A 527 L+405 117.45 A 526 L+404 116.43 A 525 L+403 115.88 A 524 L+402 115.82 A 523 L+401 115.49 A 522 L+400 113.58 A 521 L+399 112.87 A 520 L+398 112.62 A 519 L+397 112.14 A 518 L+396 111.59 A 517 L+395 110.42 A 516 L+394 109.56 A 515 L+393 108.02 A 514 L+392 106.57 A 513 L+391 104.32 A 512 L+390 101.71 A 511 L+389 97.27 A 510 L+388 95.11 A 509 L+387 94.85 A 508 L+386 94.17 A 507 L+385 93.96 A 506 L+384 93.54 A 505 L+383 93.3 A 504 L+382 93.13 A 503 L+381 92.98 A 502 L+380 91.58 A 501 L+379 90.65 A 500 L+378 90.22 A 499 L+377 88.76 A 498 L+376 88.54 A 497 L+375 88.09 A 496 L+374 87.9 A 495 L+373 87.41 A 494 L+372 87.03 A 493 L+371 86.88 A 492 L+370 86.08 A 491 L+369 85.73 A 490 L+368 84.68 A 489 L+367 83.61 A 488 L+366 83.15 A 487 L+365 82.41 A 486 L+364 82.05 A 485 L+363 81.62 A 484 L+362 80.8 A 483 L+361 80.64 A 482 L+360 80.24 A 481 L+359 79.86 A 480 L+358 79.61 A 479 L+357 79.49 A 478 L+356 79.41 A 477 L+355 79.18 A 476 L+354 79.07 A 475 L+353 78.78 A 474 L+352 78.24 A 473 L+351 78.16 A 472 L+350 77.53 A 471 L+349 76.53 A 470 L+348 76.0 A 469 L+347 75.61 A 468 L+346 75.35 A 467 L+345 75.24 A 466 L+344 75.03 A 465 L+343 75.01 A 464 L+342 74.85 A 463 L+341 74.65 A 462 L+340 74.09 A 461 L+339 73.82 A 460 L+338 73.53 A 459 L+337 73.4 A 458 L+336 73.03 A 457 L+335 72.76 A 456 L+334 72.7 A 455 L+333 72.58 A 454 L+332 72.42 A 453 L+331 72.34 A 452 L+330 71.7 A 451 L+329 71.31 A 450 L+328 71.07 A 449 L+327 70.86 A 448 L+326 70.3 A 447 L+325 70.17 A 446 L+324 69.96 A 445 L+323 69.44 A 444 L+322 69.35 A 443 L+321 69.08 A 442 L+320 68.8 A 441 L+319 68.53 A 440 L+318 68.47 A 439 L+317 68.39 A 438 L+316 68.03 A 437 L+315 67.97 A 436 L+314 67.9 A 435 L+313 67.63 A 434 L+312 67.26 A 433 L+311 67.01 A 432 L+310 66.78 A 431 L+309 66.48 A 430 L+308 65.94 A 429 L+307 65.68 A 428 L+306 65.19 A 427 L+305 64.96 A 426 L+304 64.88 A 425 L+303 64.53 A 424 L+302 64.05 A 423 L+301 63.84 A 422 L+300 63.59 A 421 L+299 63.43 A 420 L+298 63.18 A 419 L+297 62.41 A 418 L+296 62.27 A 417 L+295 62.19 A 416 L+294 61.56 A 415 L+293 61.36 A 414 L+292 61.12 A 413 L+291 60.92 A 412 L+290 60.67 A 411 L+289 60.19 A 410 L+288 59.78 A 409 L+287 59.66 A 408 L+286 59.53 A 407 L+285 59.2 A 406 L+284 58.8 A 405 L+283 58.64 A 404 L+282 58.31 A 403 L+281 58.11 A 402 L+280 58.02 A 401 L+279 57.6 A 400 L+278 57.55 A 399 L+277 57.45 A 398 L+276 57.03 A 397 L+275 56.89 A 396 L+274 56.66 A 395 L+273 56.18 A 394 L+272 56.13 A 393 L+271 56.03 A 392 L+270 55.84 A 391 L+269 55.62 A 390 L+268 55.19 A 389 L+267 55.11 A 388 L+266 54.99 A 387 L+265 54.77 A 386 L+264 54.61 A 385 L+263 54.52 A 384 L+262 54.32 A 383 L+261 54.2 A 382 L+260 54.1 A 381 L+259 53.99 A 380 L+258 53.85 A 379 L+257 53.62 A 378 L+256 53.15 A 377 L+255 52.84 A 376 L+254 52.55 A 375 L+253 52.35 A 374 L+252 52.16 A 373 L+251 51.86 A 372 L+250 51.74 A 371 L+249 51.57 A 370 L+248 51.43 A 369 L+247 51.15 A 368 L+246 51.07 A 367 L+245 50.85 A 366 L+244 50.62 A 365 L+243 50.53 A 364 L+242 50.51 A 363 L+241 50.33 A 362 L+240 50.23 A 361 L+239 50.01 A 360 L+238 49.92 A 359 L+237 49.39 A 358 L+236 49.19 A 357 L+235 48.92 A 356 L+234 48.68 A 355 L+233 48.48 A 354 L+232 48.46 A 353 L+231 48.29 A 352 L+230 48.1 A 351 L+229 47.89 A 350 L+228 47.65 A 349 L+227 47.39 A 348 L+226 47.25 A 347 L+225 46.61 A 346 L+224 45.95 A 345 L+223 45.47 A 344 L+222 45.26 A 343 L+221 45.03 A 342 L+220 44.95 A 341 L+219 44.62 A 340 L+218 44.39 A 339 L+217 43.66 A 338 L+216 43.46 A 337 L+215 43.03 A 336 L+214 42.52 A 335 L+213 42.13 A 334 L+212 41.91 A 333 L+211 41.23 A 332 L+210 40.85 A 331 L+209 40.78 A 330 L+208 40.66 A 329 L+207 40.48 A 328 L+206 40.18 A 327 L+205 40.12 A 326 L+204 39.59 A 325 L+203 39.17 A 324 L+202 39.06 A 323 L+201 38.6 A 322 L+200 38.32 A 321 L+199 38.14 A 320 L+198 38.1 A 319 L+197 37.82 A 318 L+196 37.49 A 317 L+195 37.4 A 316 L+194 37.08 A 315 L+193 36.89 A 314 L+192 36.29 A 313 L+191 36.24 A 312 L+190 36.06 A 311 L+189 35.76 A 310 L+188 35.66 A 309 L+187 34.98 A 308 L+186 34.57 A 307 L+185 34.34 A 306 L+184 33.92 A 305 L+183 33.72 A 304 L+182 33.09 A 303 L+181 33.0 A 302 L+180 32.77 A 301 L+179 32.44 A 300 L+178 32.21 A 299 L+177 31.61 A 298 L+176 31.58 A 297 L+175 31.38 A 296 L+174 30.71 A 295 L+173 30.62 A 294 L+172 30.43 A 293 L+171 30.28 A 292 L+170 30.01 A 291 L+169 29.56 A 290 L+168 29.49 A 289 L+167 29.13 A 288 L+166 28.88 A 287 L+165 28.73 A 286 L+164 28.69 A 285 L+163 28.53 A 284 L+162 28.36 A 283 L+161 27.9 A 282 L+160 27.73 A 281 L+159 27.53 A 280 L+158 27.38 A 279 L+157 27.22 A 278 L+156 27.18 A 277 L+155 27.1 A 276 L+154 26.84 A 275 L+153 26.7 A 274 L+152 26.66 A 273 L+151 26.36 A 272 L+150 26.18 A 271 L+149 26.06 A 270 L+148 25.8 A 269 L+147 25.64 A 268 L+146 25.56 A 267 L+145 25.27 A 266 L+144 25.04 A 265 L+143 24.93 A 264 L+142 24.73 A 263 L+141 24.58 A 262 L+140 24.54 A 261 L+139 24.38 A 260 L+138 24.28 A 259 L+137 24.22 A 258 L+136 24.02 A 257 L+135 23.94 A 256 L+134 23.71 A 255 L+133 23.5 A 254 L+132 23.47 A 253 L+131 23.42 A 252 L+130 23.33 A 251 L+129 23.26 A 250 L+128 23.18 A 249 L+127 23.06 A 248 L+126 22.97 A 247 L+125 22.88 A 246 L+124 22.69 A 245 L+123 22.46 A 244 L+122 22.2 A 243 L+121 21.86 A 242 L+120 21.78 A 241 L+119 21.69 A 240 L+118 21.49 A 239 L+117 21.35 A 238 L+116 21.31 A 237 L+115 21.19 A 236 L+114 20.91 A 235 L+113 20.81 A 234 L+112 20.45 A 233 L+111 20.37 A 232 L+110 20.35 A 231 L+109 20.05 A 230 L+108 20.01 A 229 L+107 19.91 A 228 L+106 19.59 A 227 L+105 19.47 A 226 L+104 19.07 A 225 L+103 18.94 A 224 L+102 18.92 A 223 L+101 18.67 A 222 L+100 18.56 A 221 L+99 18.38 A 220 L+98 18.11 A 219 L+97 18.0 A 218 L+96 17.8 A 217 L+95 17.31 A 216 L+94 17.19 A 215 L+93 17.12 A 214 L+92 17.06 A 213 L+91 16.84 A 212 L+90 16.54 A 211 L+89 16.41 A 210 L+88 16.3 A 209 L+87 16.13 A 208 L+86 16.04 A 207 L+85 16.01 A 206 L+84 15.87 A 205 L+83 15.72 A 204 L+82 15.54 A 203 L+81 15.44 A 202 L+80 15.34 A 201 L+79 15.18 A 200 L+78 15.15 A 199 L+77 15.12 A 198 L+76 14.97 A 197 L+75 14.71 A 196 L+74 14.61 A 195 L+73 14.42 A 194 L+72 14.13 A 193 L+71 13.97 A 192 L+70 13.84 A 191 L+69 13.6 A 190 L+68 13.19 A 189 L+67 12.98 A 188 L+66 12.76 A 187 L+65 12.59 A 186 L+64 12.36 A 185 L+63 12.15 A 184 L+62 11.74 A 183 L+61 11.5 A 182 L+60 11.41 A 181 L+59 11.16 A 180 L+58 11.08 A 179 L+57 10.85 A 178 L+56 10.76 A 177 L+55 10.56 A 176 L+54 10.52 A 175 L+53 10.27 A 174 L+52 10.14 A 173 L+51 9.77 A 172 L+50 9.55 A 171 L+49 9.17 A 170 L+48 9.07 A 169 L+47 8.83 A 168 L+46 8.55 A 167 L+45 8.23 A 166 L+44 8.02 A 165 L+43 7.83 A 164 L+42 7.42 A 163 L+41 7.33 A 162 L+40 7.31 A 161 L+39 7.14 A 160 L+38 7.01 A 159 L+37 6.78 A 158 L+36 6.7 A 157 L+35 6.35 A 156 L+34 6.14 A 155 L+33 6.0 A 154 L+32 5.8 A 153 L+31 5.57 A 152 L+30 5.39 A 151 L+29 5.29 A 150 L+28 5.1 A 149 L+27 4.98 A 148 L+26 4.87 A 147 L+25 4.84 A 146 L+24 4.6 A 145 L+23 4.52 A 144 L+22 4.47 A 143 L+21 4.38 A 142 L+20 4.1 A 141 L+19 3.83 A 140 L+18 3.64 A 139 L+17 3.5 A 138 L+16 3.38 A 137 L+15 3.25 A 136 L+14 3.13 A 135 L+13 2.96 A 134 L+12 2.85 A 133 L+11 2.53 A 132 L+10 2.43 A 131 L+9 2.16 A 130 L+8 1.68 A 129 L+7 1.12 A 128 L+6 0.29 A 127 L+5 0.08 A 126 L+4 -0.1 A 125 L+3 -0.47 A 124 L+2 -0.91 A 123 L+1 -1.0 A 122 LUMO -1.21 A 121 HOMO -5.48 A 120 H-1 -5.57 A 119 H-2 -5.98 A 118 H-3 -6.36 A 117 H-4 -6.92 A 116 H-5 -7.06 A 115 H-6 -7.12 A 114 H-7 -7.31 A 113 H-8 -7.44 A 112 H-9 -7.58 A 111 H-10 -7.9 A 110 H-11 -8.38 A 109 H-12 -8.57 A 108 H-13 -8.89 A 107 H-14 -8.92 A 106 H-15 -9.04 A 105 H-16 -9.08 A 104 H-17 -9.11 A 103 H-18 -9.26 A 102 H-19 -9.67 A 101 H-20 -9.79 A 100 H-21 -9.86 A 99 H-22 -10.24 A 98 H-23 -10.24 A 97 H-24 -10.4 A 96 H-25 -10.57 A 95 H-26 -10.59 A 94 H-27 -10.61 A 93 H-28 -10.7 A 92 H-29 -10.86 A 91 H-30 -11.05 A 90 H-31 -11.22 A 89 H-32 -11.29 A 88 H-33 -11.37 A 87 H-34 -11.47 A 86 H-35 -11.76 A 85 H-36 -11.85 A 84 H-37 -11.94 A 83 H-38 -11.97 A 82 H-39 -12.14 A 81 H-40 -12.24 A 80 H-41 -12.69 A 79 H-42 -12.88 A 78 H-43 -13.0 A 77 H-44 -13.21 A 76 H-45 -13.28 A 75 H-46 -13.44 A 74 H-47 -13.57 A 73 H-48 -13.88 A 72 H-49 -14.16 A 71 H-50 -14.73 A 70 H-51 -14.97 A 69 H-52 -15.43 A 68 H-53 -15.94 A 67 H-54 -16.44 A 66 H-55 -16.85 A 65 H-56 -16.91 A 64 H-57 -17.29 A 63 H-58 -18.03 A 62 H-59 -18.66 A 61 H-60 -18.71 A 60 H-61 -19.7 A 59 H-62 -20.04 A 58 H-63 -20.34 A 57 H-64 -21.04 A 56 H-65 -21.13 A 55 H-66 -22.42 A 54 H-67 -22.61 A 53 H-68 -22.82 A 52 H-69 -24.14 A 51 H-70 -24.26 A 50 H-71 -24.62 A 49 H-72 -25.28 A 48 H-73 -25.5 A 47 H-74 -26.54 A 46 H-75 -27.03 A 45 H-76 -28.5 A 44 H-77 -28.68 A 43 H-78 -31.54 A 42 H-79 -160.27 A 41 H-80 -160.46 A 40 H-81 -160.53 A 39 H-82 -196.88 A 38 H-83 -196.9 A 37 H-84 -196.91 A 36 H-85 -196.92 A 35 H-86 -197.16 A 34 H-87 -197.18 A 33 H-88 -215.92 A 32 H-89 -258.01 A 31 H-90 -258.03 A 30 H-91 -276.85 A 29 H-92 -276.89 A 28 H-93 -277.55 A 27 H-94 -277.94 A 26 H-95 -278.08 A 25 H-96 -278.08 A 24 H-97 -278.09 A 23 H-98 -278.12 A 22 H-99 -278.52 A 21 H-100 -278.79 A 20 H-101 -278.81 A 19 H-102 -278.82 A 18 H-103 -279.08 A 17 H-104 -279.16 A 16 H-105 -279.71 A 15 H-106 -279.72 A 14 H-107 -279.82 A 13 H-108 -280.15 A 12 H-109 -280.63 A 11 H-110 -390.81 A 10 H-111 -391.25 A 9 H-112 -391.81 A 8 H-113 -518.58 A 7 H-114 -518.63 A 6 H-115 -520.56 A 5 H-116 -520.81 A 4 H-117 -523.9 A 3 H-118 -2418.38 A 2 H-119 -2763.74 A 1 H-120 -2763.76 A