NBasis: 474 HOMO: 96 Groups: 0 MO eV Symmetry 474 L+377 133.38 A 473 L+376 131.46 A 472 L+375 130.52 A 471 L+374 128.46 A 470 L+373 126.73 A 469 L+372 124.83 A 468 L+371 123.78 A 467 L+370 123.05 A 466 L+369 121.98 A 465 L+368 121.09 A 464 L+367 120.6 A 463 L+366 120.21 A 462 L+365 119.38 A 461 L+364 117.23 A 460 L+363 116.82 A 459 L+362 114.96 A 458 L+361 114.68 A 457 L+360 114.32 A 456 L+359 113.63 A 455 L+358 112.73 A 454 L+357 112.51 A 453 L+356 109.99 A 452 L+355 109.63 A 451 L+354 108.02 A 450 L+353 107.06 A 449 L+352 104.14 A 448 L+351 95.84 A 447 L+350 95.35 A 446 L+349 95.33 A 445 L+348 94.65 A 444 L+347 94.02 A 443 L+346 93.9 A 442 L+345 93.51 A 441 L+344 93.34 A 440 L+343 92.88 A 439 L+342 92.66 A 438 L+341 91.6 A 437 L+340 90.98 A 436 L+339 90.59 A 435 L+338 90.3 A 434 L+337 89.62 A 433 L+336 88.22 A 432 L+335 88.16 A 431 L+334 87.5 A 430 L+333 87.1 A 429 L+332 86.39 A 428 L+331 86.02 A 427 L+330 85.67 A 426 L+329 84.8 A 425 L+328 83.9 A 424 L+327 83.53 A 423 L+326 83.14 A 422 L+325 82.88 A 421 L+324 82.61 A 420 L+323 81.2 A 419 L+322 81.1 A 418 L+321 80.24 A 417 L+320 80.14 A 416 L+319 79.78 A 415 L+318 79.49 A 414 L+317 79.16 A 413 L+316 78.99 A 412 L+315 78.79 A 411 L+314 78.62 A 410 L+313 78.02 A 409 L+312 77.59 A 408 L+311 77.5 A 407 L+310 76.97 A 406 L+309 76.31 A 405 L+308 76.17 A 404 L+307 75.85 A 403 L+306 75.59 A 402 L+305 75.3 A 401 L+304 74.94 A 400 L+303 74.76 A 399 L+302 74.62 A 398 L+301 74.36 A 397 L+300 74.01 A 396 L+299 73.86 A 395 L+298 73.8 A 394 L+297 73.37 A 393 L+296 73.07 A 392 L+295 72.27 A 391 L+294 72.01 A 390 L+293 71.97 A 389 L+292 71.68 A 388 L+291 71.41 A 387 L+290 71.0 A 386 L+289 70.94 A 385 L+288 70.7 A 384 L+287 70.46 A 383 L+286 70.38 A 382 L+285 70.02 A 381 L+284 69.91 A 380 L+283 69.64 A 379 L+282 69.59 A 378 L+281 69.3 A 377 L+280 68.63 A 376 L+279 68.45 A 375 L+278 68.26 A 374 L+277 67.92 A 373 L+276 67.9 A 372 L+275 67.47 A 371 L+274 67.38 A 370 L+273 67.14 A 369 L+272 67.09 A 368 L+271 66.67 A 367 L+270 66.25 A 366 L+269 66.18 A 365 L+268 65.47 A 364 L+267 65.26 A 363 L+266 65.23 A 362 L+265 64.98 A 361 L+264 64.48 A 360 L+263 63.97 A 359 L+262 63.62 A 358 L+261 63.51 A 357 L+260 62.98 A 356 L+259 62.77 A 355 L+258 62.09 A 354 L+257 61.88 A 353 L+256 61.57 A 352 L+255 61.24 A 351 L+254 61.07 A 350 L+253 60.98 A 349 L+252 60.73 A 348 L+251 60.26 A 347 L+250 59.91 A 346 L+249 59.61 A 345 L+248 59.36 A 344 L+247 59.16 A 343 L+246 58.79 A 342 L+245 58.58 A 341 L+244 58.53 A 340 L+243 58.31 A 339 L+242 58.12 A 338 L+241 57.98 A 337 L+240 57.59 A 336 L+239 57.34 A 335 L+238 57.1 A 334 L+237 57.02 A 333 L+236 56.47 A 332 L+235 55.92 A 331 L+234 55.82 A 330 L+233 55.6 A 329 L+232 55.34 A 328 L+231 55.26 A 327 L+230 54.87 A 326 L+229 54.7 A 325 L+228 54.14 A 324 L+227 54.01 A 323 L+226 53.88 A 322 L+225 53.62 A 321 L+224 53.33 A 320 L+223 53.24 A 319 L+222 52.99 A 318 L+221 52.81 A 317 L+220 52.61 A 316 L+219 52.38 A 315 L+218 52.25 A 314 L+217 51.98 A 313 L+216 51.92 A 312 L+215 51.82 A 311 L+214 51.73 A 310 L+213 51.65 A 309 L+212 51.36 A 308 L+211 51.26 A 307 L+210 51.23 A 306 L+209 50.99 A 305 L+208 50.76 A 304 L+207 50.39 A 303 L+206 50.26 A 302 L+205 50.03 A 301 L+204 49.77 A 300 L+203 49.64 A 299 L+202 49.34 A 298 L+201 48.83 A 297 L+200 48.74 A 296 L+199 48.65 A 295 L+198 48.3 A 294 L+197 48.18 A 293 L+196 47.75 A 292 L+195 47.62 A 291 L+194 47.34 A 290 L+193 46.95 A 289 L+192 46.9 A 288 L+191 46.61 A 287 L+190 46.2 A 286 L+189 46.08 A 285 L+188 45.7 A 284 L+187 45.2 A 283 L+186 44.48 A 282 L+185 44.04 A 281 L+184 43.87 A 280 L+183 43.25 A 279 L+182 43.02 A 278 L+181 42.85 A 277 L+180 42.42 A 276 L+179 41.85 A 275 L+178 41.7 A 274 L+177 41.03 A 273 L+176 40.93 A 272 L+175 40.29 A 271 L+174 39.81 A 270 L+173 39.45 A 269 L+172 39.18 A 268 L+171 38.44 A 267 L+170 38.33 A 266 L+169 37.93 A 265 L+168 37.73 A 264 L+167 37.56 A 263 L+166 37.41 A 262 L+165 37.03 A 261 L+164 36.76 A 260 L+163 36.24 A 259 L+162 35.93 A 258 L+161 35.78 A 257 L+160 35.26 A 256 L+159 35.03 A 255 L+158 34.44 A 254 L+157 33.93 A 253 L+156 33.83 A 252 L+155 33.43 A 251 L+154 32.92 A 250 L+153 32.57 A 249 L+152 32.34 A 248 L+151 32.05 A 247 L+150 31.53 A 246 L+149 31.4 A 245 L+148 31.19 A 244 L+147 30.73 A 243 L+146 30.66 A 242 L+145 30.19 A 241 L+144 30.08 A 240 L+143 29.87 A 239 L+142 29.41 A 238 L+141 29.26 A 237 L+140 28.94 A 236 L+139 28.67 A 235 L+138 28.34 A 234 L+137 28.02 A 233 L+136 27.85 A 232 L+135 27.43 A 231 L+134 27.28 A 230 L+133 27.04 A 229 L+132 26.63 A 228 L+131 26.46 A 227 L+130 26.37 A 226 L+129 26.29 A 225 L+128 26.15 A 224 L+127 25.84 A 223 L+126 25.68 A 222 L+125 25.48 A 221 L+124 25.44 A 220 L+123 25.12 A 219 L+122 25.03 A 218 L+121 24.77 A 217 L+120 24.76 A 216 L+119 24.52 A 215 L+118 24.25 A 214 L+117 24.1 A 213 L+116 23.97 A 212 L+115 23.77 A 211 L+114 23.7 A 210 L+113 23.61 A 209 L+112 23.58 A 208 L+111 23.29 A 207 L+110 23.17 A 206 L+109 22.9 A 205 L+108 22.87 A 204 L+107 22.6 A 203 L+106 22.52 A 202 L+105 22.26 A 201 L+104 22.06 A 200 L+103 21.89 A 199 L+102 21.81 A 198 L+101 21.71 A 197 L+100 21.57 A 196 L+99 21.26 A 195 L+98 21.08 A 194 L+97 20.77 A 193 L+96 20.59 A 192 L+95 20.5 A 191 L+94 20.1 A 190 L+93 19.98 A 189 L+92 19.84 A 188 L+91 19.81 A 187 L+90 19.54 A 186 L+89 19.49 A 185 L+88 19.25 A 184 L+87 19.02 A 183 L+86 18.75 A 182 L+85 18.54 A 181 L+84 18.28 A 180 L+83 18.16 A 179 L+82 17.87 A 178 L+81 17.69 A 177 L+80 17.41 A 176 L+79 17.19 A 175 L+78 17.04 A 174 L+77 16.79 A 173 L+76 16.38 A 172 L+75 16.34 A 171 L+74 16.26 A 170 L+73 16.17 A 169 L+72 16.14 A 168 L+71 16.03 A 167 L+70 15.79 A 166 L+69 15.61 A 165 L+68 15.38 A 164 L+67 15.27 A 163 L+66 14.85 A 162 L+65 14.76 A 161 L+64 14.61 A 160 L+63 14.38 A 159 L+62 14.28 A 158 L+61 14.1 A 157 L+60 14.05 A 156 L+59 14.02 A 155 L+58 13.7 A 154 L+57 13.45 A 153 L+56 13.35 A 152 L+55 13.06 A 151 L+54 12.65 A 150 L+53 12.34 A 149 L+52 11.85 A 148 L+51 11.17 A 147 L+50 10.7 A 146 L+49 10.5 A 145 L+48 10.12 A 144 L+47 9.97 A 143 L+46 9.71 A 142 L+45 9.29 A 141 L+44 9.0 A 140 L+43 8.93 A 139 L+42 8.64 A 138 L+41 8.49 A 137 L+40 7.98 A 136 L+39 7.88 A 135 L+38 7.54 A 134 L+37 7.34 A 133 L+36 7.09 A 132 L+35 6.9 A 131 L+34 6.6 A 130 L+33 6.35 A 129 L+32 6.1 A 128 L+31 5.62 A 127 L+30 5.56 A 126 L+29 5.36 A 125 L+28 5.21 A 124 L+27 5.03 A 123 L+26 4.83 A 122 L+25 4.8 A 121 L+24 4.76 A 120 L+23 4.43 A 119 L+22 4.35 A 118 L+21 4.28 A 117 L+20 4.16 A 116 L+19 4.08 A 115 L+18 3.88 A 114 L+17 3.8 A 113 L+16 3.69 A 112 L+15 3.38 A 111 L+14 3.26 A 110 L+13 3.12 A 109 L+12 2.76 A 108 L+11 2.6 A 107 L+10 2.36 A 106 L+9 2.2 A 105 L+8 2.1 A 104 L+7 2.06 A 103 L+6 1.37 A 102 L+5 1.19 A 101 L+4 0.27 A 100 L+3 0.04 A 99 L+2 -0.29 A 98 L+1 -0.64 A 97 LUMO -0.75 A 96 HOMO -5.54 A 95 H-1 -5.63 A 94 H-2 -6.01 A 93 H-3 -6.44 A 92 H-4 -6.54 A 91 H-5 -7.15 A 90 H-6 -7.29 A 89 H-7 -7.37 A 88 H-8 -8.25 A 87 H-9 -8.35 A 86 H-10 -8.56 A 85 H-11 -9.22 A 84 H-12 -9.44 A 83 H-13 -9.6 A 82 H-14 -9.64 A 81 H-15 -9.66 A 80 H-16 -9.82 A 79 H-17 -10.19 A 78 H-18 -10.34 A 77 H-19 -10.42 A 76 H-20 -10.46 A 75 H-21 -10.63 A 74 H-22 -10.81 A 73 H-23 -10.9 A 72 H-24 -11.14 A 71 H-25 -11.4 A 70 H-26 -11.49 A 69 H-27 -11.6 A 68 H-28 -11.84 A 67 H-29 -11.9 A 66 H-30 -12.07 A 65 H-31 -12.26 A 64 H-32 -12.44 A 63 H-33 -12.71 A 62 H-34 -12.92 A 61 H-35 -13.14 A 60 H-36 -13.62 A 59 H-37 -13.7 A 58 H-38 -13.95 A 57 H-39 -13.99 A 56 H-40 -14.24 A 55 H-41 -14.88 A 54 H-42 -15.19 A 53 H-43 -15.64 A 52 H-44 -16.1 A 51 H-45 -16.28 A 50 H-46 -16.85 A 49 H-47 -17.04 A 48 H-48 -17.23 A 47 H-49 -17.51 A 46 H-50 -18.58 A 45 H-51 -18.78 A 44 H-52 -19.73 A 43 H-53 -19.99 A 42 H-54 -20.85 A 41 H-55 -21.14 A 40 H-56 -21.9 A 39 H-57 -22.55 A 38 H-58 -23.79 A 37 H-59 -24.67 A 36 H-60 -25.98 A 35 H-61 -26.74 A 34 H-62 -27.15 A 33 H-63 -27.53 A 32 H-64 -28.75 A 31 H-65 -29.2 A 30 H-66 -29.41 A 29 H-67 -160.35 A 28 H-68 -160.53 A 27 H-69 -160.62 A 26 H-70 -216.0 A 25 H-71 -276.94 A 24 H-72 -277.03 A 23 H-73 -277.58 A 22 H-74 -277.68 A 21 H-75 -277.9 A 20 H-76 -277.93 A 19 H-77 -278.07 A 18 H-78 -278.11 A 17 H-79 -278.61 A 16 H-80 -278.84 A 15 H-81 -279.02 A 14 H-82 -279.17 A 13 H-83 -279.42 A 12 H-84 -279.94 A 11 H-85 -280.33 A 10 H-86 -281.09 A 9 H-87 -391.04 A 8 H-88 -391.76 A 7 H-89 -393.7 A 6 H-90 -518.65 A 5 H-91 -518.68 A 4 H-92 -520.91 A 3 H-93 -521.38 A 2 H-94 -522.22 A 1 H-95 -2418.46 A