NBasis: 435 HOMO: 84 MO eV 435 L+350 154.64 434 L+349 133.25 433 L+348 128.96 432 L+347 127.4 431 L+346 127.06 430 L+345 126.03 429 L+344 125.39 428 L+343 123.02 427 L+342 122.4 426 L+341 121.36 425 L+340 120.78 424 L+339 120.06 423 L+338 119.77 422 L+337 118.33 421 L+336 116.41 420 L+335 115.06 419 L+334 113.41 418 L+333 112.96 417 L+332 112.5 416 L+331 112.34 415 L+330 110.78 414 L+329 109.02 413 L+328 106.41 412 L+327 100.79 411 L+326 98.63 410 L+325 96.33 409 L+324 96.18 408 L+323 94.78 407 L+322 94.22 406 L+321 94.07 405 L+320 93.9 404 L+319 93.64 403 L+318 92.73 402 L+317 92.6 401 L+316 91.61 400 L+315 90.09 399 L+314 89.94 398 L+313 89.81 397 L+312 89.32 396 L+311 88.74 395 L+310 88.32 394 L+309 87.59 393 L+308 87.31 392 L+307 86.9 391 L+306 86.07 390 L+305 85.14 389 L+304 84.96 388 L+303 84.57 387 L+302 83.7 386 L+301 83.03 385 L+300 82.34 384 L+299 81.39 383 L+298 80.63 382 L+297 80.29 381 L+296 80.04 380 L+295 79.51 379 L+294 79.38 378 L+293 79.1 377 L+292 78.86 376 L+291 78.07 375 L+290 77.89 374 L+289 77.56 373 L+288 77.26 372 L+287 77.12 371 L+286 76.86 370 L+285 76.68 369 L+284 76.57 368 L+283 76.48 367 L+282 76.08 366 L+281 75.7 365 L+280 75.31 364 L+279 75.31 363 L+278 75.04 362 L+277 74.38 361 L+276 74.21 360 L+275 73.88 359 L+274 73.76 358 L+273 73.43 357 L+272 73.24 356 L+271 72.74 355 L+270 72.1 354 L+269 71.78 353 L+268 71.64 352 L+267 71.43 351 L+266 71.39 350 L+265 70.82 349 L+264 70.61 348 L+263 70.11 347 L+262 69.88 346 L+261 69.56 345 L+260 69.28 344 L+259 69.03 343 L+258 68.72 342 L+257 68.47 341 L+256 67.87 340 L+255 67.83 339 L+254 67.51 338 L+253 67.27 337 L+252 66.56 336 L+251 66.47 335 L+250 65.97 334 L+249 65.63 333 L+248 65.55 332 L+247 65.14 331 L+246 64.95 330 L+245 64.51 329 L+244 64.28 328 L+243 63.75 327 L+242 63.49 326 L+241 63.07 325 L+240 62.99 324 L+239 62.92 323 L+238 62.44 322 L+237 62.34 321 L+236 62.19 320 L+235 61.93 319 L+234 61.33 318 L+233 60.97 317 L+232 60.87 316 L+231 60.68 315 L+230 60.17 314 L+229 59.68 313 L+228 59.6 312 L+227 59.32 311 L+226 59.02 310 L+225 58.94 309 L+224 58.55 308 L+223 58.45 307 L+222 58.21 306 L+221 57.91 305 L+220 57.72 304 L+219 57.32 303 L+218 57.28 302 L+217 56.86 301 L+216 56.71 300 L+215 56.46 299 L+214 56.26 298 L+213 56.11 297 L+212 55.68 296 L+211 55.63 295 L+210 55.57 294 L+209 55.45 293 L+208 55.17 292 L+207 54.23 291 L+206 54.15 290 L+205 53.68 289 L+204 53.55 288 L+203 53.38 287 L+202 53.28 286 L+201 52.8 285 L+200 52.67 284 L+199 52.38 283 L+198 52.18 282 L+197 52.04 281 L+196 51.79 280 L+195 51.76 279 L+194 51.6 278 L+193 51.32 277 L+192 51.12 276 L+191 50.82 275 L+190 50.61 274 L+189 50.45 273 L+188 50.37 272 L+187 50.26 271 L+186 49.91 270 L+185 49.55 269 L+184 49.42 268 L+183 49.29 267 L+182 49.01 266 L+181 48.94 265 L+180 48.4 264 L+179 48.16 263 L+178 47.78 262 L+177 47.65 261 L+176 47.52 260 L+175 47.11 259 L+174 47.02 258 L+173 46.75 257 L+172 46.53 256 L+171 46.36 255 L+170 45.8 254 L+169 45.49 253 L+168 44.87 252 L+167 44.6 251 L+166 44.45 250 L+165 44.12 249 L+164 42.85 248 L+163 42.68 247 L+162 42.25 246 L+161 41.56 245 L+160 41.3 244 L+159 40.94 243 L+158 40.87 242 L+157 40.28 241 L+156 40.18 240 L+155 39.62 239 L+154 39.15 238 L+153 38.83 237 L+152 38.6 236 L+151 38.37 235 L+150 38.1 234 L+149 37.73 233 L+148 37.43 232 L+147 37.3 231 L+146 37.05 230 L+145 36.9 229 L+144 36.42 228 L+143 35.06 227 L+142 35.03 226 L+141 34.77 225 L+140 34.51 224 L+139 34.13 223 L+138 33.7 222 L+137 33.58 221 L+136 33.39 220 L+135 33.23 219 L+134 32.95 218 L+133 32.78 217 L+132 32.37 216 L+131 32.14 215 L+130 31.84 214 L+129 31.4 213 L+128 30.82 212 L+127 30.54 211 L+126 30.29 210 L+125 29.89 209 L+124 29.2 208 L+123 28.92 207 L+122 28.57 206 L+121 28.53 205 L+120 28.18 204 L+119 27.72 203 L+118 27.63 202 L+117 27.27 201 L+116 26.83 200 L+115 26.42 199 L+114 26.33 198 L+113 26.12 197 L+112 26.03 196 L+111 25.47 195 L+110 25.45 194 L+109 25.34 193 L+108 25.1 192 L+107 24.96 191 L+106 24.7 190 L+105 24.6 189 L+104 24.43 188 L+103 24.23 187 L+102 23.87 186 L+101 23.62 185 L+100 23.5 184 L+99 23.14 183 L+98 22.97 182 L+97 22.6 181 L+96 22.56 180 L+95 22.39 179 L+94 22.26 178 L+93 22.07 177 L+92 21.88 176 L+91 21.67 175 L+90 21.51 174 L+89 21.46 173 L+88 21.37 172 L+87 21.18 171 L+86 20.72 170 L+85 20.64 169 L+84 20.47 168 L+83 20.36 167 L+82 20.02 166 L+81 19.58 165 L+80 19.41 164 L+79 19.17 163 L+78 19.05 162 L+77 18.67 161 L+76 18.63 160 L+75 18.15 159 L+74 17.95 158 L+73 17.54 157 L+72 17.4 156 L+71 17.33 155 L+70 17.24 154 L+69 17.13 153 L+68 16.78 152 L+67 16.76 151 L+66 16.54 150 L+65 16.12 149 L+64 15.96 148 L+63 15.81 147 L+62 15.36 146 L+61 15.26 145 L+60 14.96 144 L+59 14.93 143 L+58 14.71 142 L+57 14.48 141 L+56 14.36 140 L+55 14.21 139 L+54 13.97 138 L+53 13.76 137 L+52 13.57 136 L+51 13.48 135 L+50 13.41 134 L+49 13.22 133 L+48 13.13 132 L+47 12.65 131 L+46 12.55 130 L+45 12.01 129 L+44 11.71 128 L+43 10.93 127 L+42 10.43 126 L+41 10.29 125 L+40 9.77 124 L+39 9.33 123 L+38 8.61 122 L+37 8.31 121 L+36 7.87 120 L+35 7.62 119 L+34 7.4 118 L+33 6.79 117 L+32 6.5 116 L+31 6.41 115 L+30 6.0 114 L+29 5.76 113 L+28 5.66 112 L+27 5.59 111 L+26 5.51 110 L+25 5.22 109 L+24 5.07 108 L+23 4.92 107 L+22 4.81 106 L+21 4.71 105 L+20 4.4 104 L+19 4.29 103 L+18 4.1 102 L+17 3.94 101 L+16 3.91 100 L+15 3.75 99 L+14 3.67 98 L+13 3.62 97 L+12 3.47 96 L+11 3.07 95 L+10 3.0 94 L+9 2.91 93 L+8 2.68 92 L+7 2.44 91 L+6 2.16 90 L+5 2.01 89 L+4 1.81 88 L+3 0.8 87 L+2 0.42 86 L+1 -0.42 85 LUMO -1.1 84 HOMO -5.13 83 H-1 -5.47 82 H-2 -5.56 81 H-3 -5.73 80 H-4 -6.11 79 H-5 -6.38 78 H-6 -7.04 77 H-7 -7.87 76 H-8 -9.17 75 H-9 -9.42 74 H-10 -9.55 73 H-11 -9.69 72 H-12 -9.78 71 H-13 -10.0 70 H-14 -10.08 69 H-15 -10.32 68 H-16 -10.48 67 H-17 -10.61 66 H-18 -10.79 65 H-19 -10.82 64 H-20 -11.0 63 H-21 -11.19 62 H-22 -11.32 61 H-23 -11.45 60 H-24 -11.68 59 H-25 -11.8 58 H-26 -12.03 57 H-27 -12.36 56 H-28 -12.55 55 H-29 -12.64 54 H-30 -12.78 53 H-31 -13.06 52 H-32 -13.27 51 H-33 -13.53 50 H-34 -13.87 49 H-35 -13.9 48 H-36 -14.29 47 H-37 -14.5 46 H-38 -15.04 45 H-39 -15.51 44 H-40 -16.09 43 H-41 -16.23 42 H-42 -17.07 41 H-43 -17.49 40 H-44 -17.68 39 H-45 -17.91 38 H-46 -18.87 37 H-47 -19.83 36 H-48 -20.05 35 H-49 -20.94 34 H-50 -21.18 33 H-51 -21.8 32 H-52 -22.15 31 H-53 -23.46 30 H-54 -24.29 29 H-55 -26.25 28 H-56 -26.66 27 H-57 -26.8 26 H-58 -27.14 25 H-59 -28.15 24 H-60 -33.3 23 H-61 -276.69 22 H-62 -277.14 21 H-63 -277.48 20 H-64 -277.52 19 H-65 -277.68 18 H-66 -278.28 17 H-67 -278.48 16 H-68 -278.68 15 H-69 -278.75 14 H-70 -278.82 13 H-71 -278.83 12 H-72 -278.87 11 H-73 -278.92 10 H-74 -279.34 9 H-75 -279.38 8 H-76 -279.59 7 H-77 -391.1 6 H-78 -391.74 5 H-79 -394.0 4 H-80 -518.31 3 H-81 -518.32 2 H-82 -519.59 1 H-83 -672.54