NBasis: 449 HOMO: 92 Groups: 0 MO eV Symmetry 449 L+356 132.87 A 448 L+355 132.21 A 447 L+354 130.58 A 446 L+353 127.8 A 445 L+352 127.44 A 444 L+351 125.69 A 443 L+350 124.87 A 442 L+349 122.75 A 441 L+348 122.3 A 440 L+347 121.16 A 439 L+346 120.67 A 438 L+345 119.59 A 437 L+344 119.36 A 436 L+343 116.7 A 435 L+342 115.74 A 434 L+341 115.04 A 433 L+340 114.56 A 432 L+339 113.59 A 431 L+338 113.49 A 430 L+337 112.84 A 429 L+336 111.49 A 428 L+335 110.42 A 427 L+334 108.3 A 426 L+333 106.83 A 425 L+332 106.27 A 424 L+331 96.15 A 423 L+330 95.59 A 422 L+329 95.33 A 421 L+328 95.02 A 420 L+327 94.75 A 419 L+326 93.69 A 418 L+325 93.65 A 417 L+324 93.54 A 416 L+323 93.27 A 415 L+322 92.54 A 414 L+321 91.41 A 413 L+320 91.27 A 412 L+319 90.92 A 411 L+318 88.74 A 410 L+317 88.67 A 409 L+316 88.35 A 408 L+315 87.69 A 407 L+314 87.54 A 406 L+313 87.15 A 405 L+312 86.82 A 404 L+311 86.03 A 403 L+310 85.25 A 402 L+309 83.93 A 401 L+308 83.71 A 400 L+307 83.65 A 399 L+306 83.49 A 398 L+305 81.82 A 397 L+304 81.1 A 396 L+303 80.92 A 395 L+302 80.55 A 394 L+301 79.88 A 393 L+300 79.8 A 392 L+299 79.55 A 391 L+298 79.3 A 390 L+297 79.15 A 389 L+296 78.59 A 388 L+295 78.43 A 387 L+294 77.92 A 386 L+293 77.53 A 385 L+292 76.95 A 384 L+291 76.76 A 383 L+290 76.35 A 382 L+289 75.93 A 381 L+288 75.75 A 380 L+287 75.48 A 379 L+286 75.16 A 378 L+285 75.05 A 377 L+284 74.4 A 376 L+283 74.32 A 375 L+282 74.13 A 374 L+281 74.02 A 373 L+280 73.51 A 372 L+279 73.23 A 371 L+278 73.11 A 370 L+277 72.95 A 369 L+276 72.53 A 368 L+275 72.23 A 367 L+274 71.87 A 366 L+273 71.26 A 365 L+272 71.12 A 364 L+271 71.0 A 363 L+270 70.89 A 362 L+269 70.6 A 361 L+268 70.0 A 360 L+267 69.85 A 359 L+266 69.52 A 358 L+265 69.18 A 357 L+264 69.01 A 356 L+263 68.87 A 355 L+262 68.55 A 354 L+261 68.18 A 353 L+260 68.05 A 352 L+259 67.56 A 351 L+258 67.29 A 350 L+257 66.87 A 349 L+256 66.81 A 348 L+255 65.94 A 347 L+254 65.81 A 346 L+253 65.6 A 345 L+252 65.41 A 344 L+251 65.16 A 343 L+250 64.9 A 342 L+249 64.64 A 341 L+248 64.46 A 340 L+247 64.04 A 339 L+246 63.79 A 338 L+245 63.62 A 337 L+244 63.3 A 336 L+243 62.77 A 335 L+242 62.7 A 334 L+241 62.65 A 333 L+240 62.14 A 332 L+239 61.73 A 331 L+238 61.25 A 330 L+237 60.88 A 329 L+236 60.34 A 328 L+235 59.91 A 327 L+234 59.66 A 326 L+233 59.31 A 325 L+232 58.97 A 324 L+231 58.88 A 323 L+230 58.42 A 322 L+229 58.1 A 321 L+228 57.87 A 320 L+227 57.61 A 319 L+226 57.42 A 318 L+225 57.31 A 317 L+224 57.22 A 316 L+223 56.53 A 315 L+222 56.4 A 314 L+221 56.03 A 313 L+220 55.86 A 312 L+219 55.45 A 311 L+218 55.38 A 310 L+217 55.1 A 309 L+216 55.01 A 308 L+215 54.72 A 307 L+214 54.55 A 306 L+213 54.32 A 305 L+212 54.0 A 304 L+211 53.87 A 303 L+210 53.79 A 302 L+209 53.61 A 301 L+208 53.46 A 300 L+207 53.31 A 299 L+206 52.94 A 298 L+205 52.79 A 297 L+204 52.61 A 296 L+203 52.45 A 295 L+202 52.08 A 294 L+201 51.9 A 293 L+200 51.8 A 292 L+199 51.65 A 291 L+198 51.29 A 290 L+197 51.11 A 289 L+196 50.92 A 288 L+195 50.89 A 287 L+194 50.63 A 286 L+193 50.51 A 285 L+192 50.32 A 284 L+191 50.07 A 283 L+190 49.84 A 282 L+189 49.46 A 281 L+188 49.2 A 280 L+187 49.07 A 279 L+186 49.02 A 278 L+185 48.75 A 277 L+184 48.45 A 276 L+183 48.13 A 275 L+182 47.72 A 274 L+181 47.26 A 273 L+180 46.91 A 272 L+179 46.42 A 271 L+178 46.0 A 270 L+177 45.42 A 269 L+176 45.35 A 268 L+175 45.11 A 267 L+174 44.42 A 266 L+173 44.16 A 265 L+172 43.95 A 264 L+171 43.82 A 263 L+170 43.11 A 262 L+169 42.17 A 261 L+168 41.47 A 260 L+167 41.28 A 259 L+166 40.51 A 258 L+165 40.37 A 257 L+164 39.66 A 256 L+163 39.53 A 255 L+162 39.46 A 254 L+161 39.07 A 253 L+160 38.91 A 252 L+159 38.6 A 251 L+158 38.55 A 250 L+157 38.24 A 249 L+156 37.41 A 248 L+155 37.19 A 247 L+154 36.85 A 246 L+153 36.21 A 245 L+152 36.1 A 244 L+151 35.5 A 243 L+150 35.21 A 242 L+149 35.13 A 241 L+148 34.29 A 240 L+147 34.14 A 239 L+146 33.57 A 238 L+145 32.76 A 237 L+144 32.11 A 236 L+143 31.98 A 235 L+142 31.93 A 234 L+141 31.75 A 233 L+140 31.38 A 232 L+139 31.1 A 231 L+138 30.68 A 230 L+137 30.62 A 229 L+136 30.44 A 228 L+135 29.96 A 227 L+134 29.74 A 226 L+133 29.55 A 225 L+132 29.1 A 224 L+131 28.83 A 223 L+130 28.76 A 222 L+129 28.58 A 221 L+128 28.15 A 220 L+127 27.91 A 219 L+126 27.6 A 218 L+125 27.42 A 217 L+124 27.27 A 216 L+123 26.95 A 215 L+122 26.71 A 214 L+121 26.42 A 213 L+120 26.27 A 212 L+119 26.13 A 211 L+118 25.96 A 210 L+117 25.84 A 209 L+116 25.81 A 208 L+115 25.36 A 207 L+114 25.24 A 206 L+113 25.06 A 205 L+112 24.97 A 204 L+111 24.85 A 203 L+110 24.76 A 202 L+109 24.65 A 201 L+108 24.4 A 200 L+107 24.24 A 199 L+106 23.99 A 198 L+105 23.84 A 197 L+104 23.67 A 196 L+103 23.63 A 195 L+102 23.54 A 194 L+101 23.26 A 193 L+100 23.17 A 192 L+99 22.96 A 191 L+98 22.79 A 190 L+97 22.63 A 189 L+96 22.61 A 188 L+95 22.52 A 187 L+94 22.35 A 186 L+93 22.3 A 185 L+92 21.72 A 184 L+91 21.68 A 183 L+90 21.42 A 182 L+89 21.04 A 181 L+88 20.73 A 180 L+87 20.45 A 179 L+86 20.24 A 178 L+85 19.89 A 177 L+84 19.67 A 176 L+83 19.48 A 175 L+82 19.22 A 174 L+81 19.21 A 173 L+80 19.01 A 172 L+79 18.94 A 171 L+78 18.75 A 170 L+77 18.47 A 169 L+76 18.2 A 168 L+75 18.12 A 167 L+74 17.53 A 166 L+73 17.32 A 165 L+72 17.25 A 164 L+71 17.11 A 163 L+70 17.02 A 162 L+69 16.85 A 161 L+68 16.7 A 160 L+67 16.49 A 159 L+66 16.46 A 158 L+65 16.42 A 157 L+64 16.12 A 156 L+63 15.98 A 155 L+62 15.86 A 154 L+61 15.68 A 153 L+60 15.44 A 152 L+59 15.34 A 151 L+58 15.23 A 150 L+57 15.05 A 149 L+56 14.92 A 148 L+55 14.7 A 147 L+54 14.51 A 146 L+53 14.33 A 145 L+52 13.72 A 144 L+51 13.55 A 143 L+50 12.68 A 142 L+49 12.41 A 141 L+48 11.95 A 140 L+47 11.53 A 139 L+46 11.25 A 138 L+45 11.05 A 137 L+44 10.28 A 136 L+43 10.14 A 135 L+42 9.88 A 134 L+41 9.7 A 133 L+40 9.5 A 132 L+39 9.43 A 131 L+38 9.17 A 130 L+37 8.83 A 129 L+36 8.56 A 128 L+35 8.41 A 127 L+34 8.12 A 126 L+33 7.62 A 125 L+32 7.52 A 124 L+31 7.39 A 123 L+30 7.24 A 122 L+29 7.03 A 121 L+28 6.55 A 120 L+27 6.33 A 119 L+26 5.87 A 118 L+25 5.84 A 117 L+24 5.73 A 116 L+23 5.62 A 115 L+22 5.51 A 114 L+21 5.39 A 113 L+20 5.21 A 112 L+19 5.0 A 111 L+18 4.91 A 110 L+17 4.78 A 109 L+16 4.69 A 108 L+15 4.49 A 107 L+14 4.36 A 106 L+13 4.12 A 105 L+12 4.03 A 104 L+11 3.92 A 103 L+10 3.6 A 102 L+9 3.43 A 101 L+8 3.06 A 100 L+7 2.93 A 99 L+6 2.39 A 98 L+5 2.25 A 97 L+4 1.93 A 96 L+3 0.74 A 95 L+2 0.72 A 94 L+1 0.27 A 93 LUMO 0.22 A 92 HOMO -4.92 A 91 H-1 -5.22 A 90 H-2 -5.31 A 89 H-3 -5.39 A 88 H-4 -5.79 A 87 H-5 -5.83 A 86 H-6 -6.13 A 85 H-7 -6.3 A 84 H-8 -6.57 A 83 H-9 -6.58 A 82 H-10 -6.63 A 81 H-11 -6.9 A 80 H-12 -8.21 A 79 H-13 -8.51 A 78 H-14 -8.61 A 77 H-15 -8.81 A 76 H-16 -8.96 A 75 H-17 -9.03 A 74 H-18 -9.08 A 73 H-19 -9.45 A 72 H-20 -9.54 A 71 H-21 -9.6 A 70 H-22 -9.73 A 69 H-23 -9.96 A 68 H-24 -10.17 A 67 H-25 -10.21 A 66 H-26 -10.35 A 65 H-27 -10.63 A 64 H-28 -10.92 A 63 H-29 -10.96 A 62 H-30 -11.03 A 61 H-31 -11.13 A 60 H-32 -11.18 A 59 H-33 -11.6 A 58 H-34 -11.79 A 57 H-35 -11.91 A 56 H-36 -12.32 A 55 H-37 -12.4 A 54 H-38 -12.57 A 53 H-39 -12.89 A 52 H-40 -12.98 A 51 H-41 -13.32 A 50 H-42 -13.6 A 49 H-43 -14.24 A 48 H-44 -14.68 A 47 H-45 -15.54 A 46 H-46 -16.09 A 45 H-47 -16.33 A 44 H-48 -17.01 A 43 H-49 -17.98 A 42 H-50 -18.52 A 41 H-51 -19.21 A 40 H-52 -19.89 A 39 H-53 -20.07 A 38 H-54 -20.35 A 37 H-55 -22.03 A 36 H-56 -22.65 A 35 H-57 -22.82 A 34 H-58 -23.47 A 33 H-59 -24.43 A 32 H-60 -25.84 A 31 H-61 -26.32 A 30 H-62 -26.82 A 29 H-63 -27.98 A 28 H-64 -159.82 A 27 H-65 -160.01 A 26 H-66 -160.08 A 25 H-67 -215.47 A 24 H-68 -276.7 A 23 H-69 -276.72 A 22 H-70 -276.83 A 21 H-71 -276.89 A 20 H-72 -276.98 A 19 H-73 -277.01 A 18 H-74 -277.01 A 17 H-75 -277.02 A 16 H-76 -277.39 A 15 H-77 -277.46 A 14 H-78 -277.63 A 13 H-79 -278.2 A 12 H-80 -278.23 A 11 H-81 -278.4 A 10 H-82 -278.61 A 9 H-83 -279.44 A 8 H-84 -387.83 A 7 H-85 -388.86 A 6 H-86 -390.21 A 5 H-87 -518.42 A 4 H-88 -518.47 A 3 H-89 -518.75 A 2 H-90 -520.24 A 1 H-91 -2417.93 A