NBasis: 454 HOMO: 92 Groups: 0 MO eV Symmetry 454 L+361 133.24 A 453 L+360 131.73 A 452 L+359 130.31 A 451 L+358 127.47 A 450 L+357 127.29 A 449 L+356 125.59 A 448 L+355 124.52 A 447 L+354 122.97 A 446 L+353 122.02 A 445 L+352 121.19 A 444 L+351 120.37 A 443 L+350 119.78 A 442 L+349 118.97 A 441 L+348 116.19 A 440 L+347 115.57 A 439 L+346 114.6 A 438 L+345 113.53 A 437 L+344 113.42 A 436 L+343 113.02 A 435 L+342 112.61 A 434 L+341 111.92 A 433 L+340 110.11 A 432 L+339 108.04 A 431 L+338 106.54 A 430 L+337 105.97 A 429 L+336 96.41 A 428 L+335 95.68 A 427 L+334 95.12 A 426 L+333 94.99 A 425 L+332 94.85 A 424 L+331 94.08 A 423 L+330 93.53 A 422 L+329 93.44 A 421 L+328 93.27 A 420 L+327 93.1 A 419 L+326 92.18 A 418 L+325 90.94 A 417 L+324 90.49 A 416 L+323 90.16 A 415 L+322 88.53 A 414 L+321 88.45 A 413 L+320 88.14 A 412 L+319 87.43 A 411 L+318 87.13 A 410 L+317 87.05 A 409 L+316 85.84 A 408 L+315 85.42 A 407 L+314 84.51 A 406 L+313 83.59 A 405 L+312 83.28 A 404 L+311 83.23 A 403 L+310 82.71 A 402 L+309 81.66 A 401 L+308 80.77 A 400 L+307 80.56 A 399 L+306 80.23 A 398 L+305 79.96 A 397 L+304 79.47 A 396 L+303 79.45 A 395 L+302 79.11 A 394 L+301 78.83 A 393 L+300 78.24 A 392 L+299 78.0 A 391 L+298 77.56 A 390 L+297 76.67 A 389 L+296 76.42 A 388 L+295 76.07 A 387 L+294 75.84 A 386 L+293 75.37 A 385 L+292 75.32 A 384 L+291 75.06 A 383 L+290 74.93 A 382 L+289 74.61 A 381 L+288 74.35 A 380 L+287 74.04 A 379 L+286 73.47 A 378 L+285 73.36 A 377 L+284 73.13 A 376 L+283 72.87 A 375 L+282 72.77 A 374 L+281 72.28 A 373 L+280 72.16 A 372 L+279 71.71 A 371 L+278 71.46 A 370 L+277 71.33 A 369 L+276 70.86 A 368 L+275 70.69 A 367 L+274 70.46 A 366 L+273 70.0 A 365 L+272 69.71 A 364 L+271 69.59 A 363 L+270 69.33 A 362 L+269 68.99 A 361 L+268 68.76 A 360 L+267 68.5 A 359 L+266 68.43 A 358 L+265 67.93 A 357 L+264 67.79 A 356 L+263 67.4 A 355 L+262 67.09 A 354 L+261 67.03 A 353 L+260 66.53 A 352 L+259 66.48 A 351 L+258 66.37 A 350 L+257 65.63 A 349 L+256 65.44 A 348 L+255 65.01 A 347 L+254 64.78 A 346 L+253 64.52 A 345 L+252 64.51 A 344 L+251 64.11 A 343 L+250 63.63 A 342 L+249 63.17 A 341 L+248 63.07 A 340 L+247 62.76 A 339 L+246 62.45 A 338 L+245 62.37 A 337 L+244 62.09 A 336 L+243 61.96 A 335 L+242 61.81 A 334 L+241 60.96 A 333 L+240 60.38 A 332 L+239 59.99 A 331 L+238 59.76 A 330 L+237 59.45 A 329 L+236 59.31 A 328 L+235 58.88 A 327 L+234 58.78 A 326 L+233 58.33 A 325 L+232 58.29 A 324 L+231 57.84 A 323 L+230 57.55 A 322 L+229 57.44 A 321 L+228 56.84 A 320 L+227 56.65 A 319 L+226 56.51 A 318 L+225 55.98 A 317 L+224 55.85 A 316 L+223 55.65 A 315 L+222 55.22 A 314 L+221 54.94 A 313 L+220 54.57 A 312 L+219 54.49 A 311 L+218 54.38 A 310 L+217 54.15 A 309 L+216 54.08 A 308 L+215 53.94 A 307 L+214 53.67 A 306 L+213 53.56 A 305 L+212 53.37 A 304 L+211 53.07 A 303 L+210 52.79 A 302 L+209 52.54 A 301 L+208 52.49 A 300 L+207 52.38 A 299 L+206 52.09 A 298 L+205 51.72 A 297 L+204 51.63 A 296 L+203 51.53 A 295 L+202 51.37 A 294 L+201 51.18 A 293 L+200 50.93 A 292 L+199 50.87 A 291 L+198 50.64 A 290 L+197 50.48 A 289 L+196 50.03 A 288 L+195 49.99 A 287 L+194 49.79 A 286 L+193 49.24 A 285 L+192 49.13 A 284 L+191 49.03 A 283 L+190 48.62 A 282 L+189 48.51 A 281 L+188 48.36 A 280 L+187 48.26 A 279 L+186 48.08 A 278 L+185 47.64 A 277 L+184 47.4 A 276 L+183 47.19 A 275 L+182 46.6 A 274 L+181 45.96 A 273 L+180 45.39 A 272 L+179 44.99 A 271 L+178 44.64 A 270 L+177 44.52 A 269 L+176 43.57 A 268 L+175 43.46 A 267 L+174 43.02 A 266 L+173 42.87 A 265 L+172 42.18 A 264 L+171 41.21 A 263 L+170 40.65 A 262 L+169 40.49 A 261 L+168 40.31 A 260 L+167 39.7 A 259 L+166 39.46 A 258 L+165 38.98 A 257 L+164 38.69 A 256 L+163 38.61 A 255 L+162 38.28 A 254 L+161 38.14 A 253 L+160 37.84 A 252 L+159 37.32 A 251 L+158 36.91 A 250 L+157 36.6 A 249 L+156 36.47 A 248 L+155 36.1 A 247 L+154 35.58 A 246 L+153 35.27 A 245 L+152 34.9 A 244 L+151 34.7 A 243 L+150 34.08 A 242 L+149 33.6 A 241 L+148 33.1 A 240 L+147 32.54 A 239 L+146 32.11 A 238 L+145 31.77 A 237 L+144 31.56 A 236 L+143 31.49 A 235 L+142 31.41 A 234 L+141 31.12 A 233 L+140 30.53 A 232 L+139 30.36 A 231 L+138 30.25 A 230 L+137 29.92 A 229 L+136 29.64 A 228 L+135 29.27 A 227 L+134 29.06 A 226 L+133 28.83 A 225 L+132 28.3 A 224 L+131 28.04 A 223 L+130 27.95 A 222 L+129 27.56 A 221 L+128 27.43 A 220 L+127 27.08 A 219 L+126 26.86 A 218 L+125 26.72 A 217 L+124 26.37 A 216 L+123 26.3 A 215 L+122 25.95 A 214 L+121 25.87 A 213 L+120 25.73 A 212 L+119 25.61 A 211 L+118 25.29 A 210 L+117 25.15 A 209 L+116 25.01 A 208 L+115 24.77 A 207 L+114 24.53 A 206 L+113 24.45 A 205 L+112 24.35 A 204 L+111 24.28 A 203 L+110 24.05 A 202 L+109 23.92 A 201 L+108 23.59 A 200 L+107 23.5 A 199 L+106 23.45 A 198 L+105 23.38 A 197 L+104 23.28 A 196 L+103 23.03 A 195 L+102 22.87 A 194 L+101 22.83 A 193 L+100 22.54 A 192 L+99 22.49 A 191 L+98 22.23 A 190 L+97 22.02 A 189 L+96 21.94 A 188 L+95 21.51 A 187 L+94 21.4 A 186 L+93 21.31 A 185 L+92 21.09 A 184 L+91 20.68 A 183 L+90 20.65 A 182 L+89 20.27 A 181 L+88 19.82 A 180 L+87 19.78 A 179 L+86 19.58 A 178 L+85 19.35 A 177 L+84 19.07 A 176 L+83 18.87 A 175 L+82 18.66 A 174 L+81 18.49 A 173 L+80 18.47 A 172 L+79 18.19 A 171 L+78 17.82 A 170 L+77 17.71 A 169 L+76 17.7 A 168 L+75 17.09 A 167 L+74 16.99 A 166 L+73 16.77 A 165 L+72 16.65 A 164 L+71 16.6 A 163 L+70 16.41 A 162 L+69 16.17 A 161 L+68 16.11 A 160 L+67 16.0 A 159 L+66 15.61 A 158 L+65 15.5 A 157 L+64 15.26 A 156 L+63 15.17 A 155 L+62 15.1 A 154 L+61 15.03 A 153 L+60 14.9 A 152 L+59 14.74 A 151 L+58 14.68 A 150 L+57 14.47 A 149 L+56 14.29 A 148 L+55 14.04 A 147 L+54 13.81 A 146 L+53 13.17 A 145 L+52 12.62 A 144 L+51 12.41 A 143 L+50 11.59 A 142 L+49 11.4 A 141 L+48 11.07 A 140 L+47 10.75 A 139 L+46 10.52 A 138 L+45 9.86 A 137 L+44 9.6 A 136 L+43 9.52 A 135 L+42 9.13 A 134 L+41 8.89 A 133 L+40 8.82 A 132 L+39 8.46 A 131 L+38 8.26 A 130 L+37 8.15 A 129 L+36 7.87 A 128 L+35 7.34 A 127 L+34 7.21 A 126 L+33 7.13 A 125 L+32 6.9 A 124 L+31 6.51 A 123 L+30 6.3 A 122 L+29 6.05 A 121 L+28 5.78 A 120 L+27 5.57 A 119 L+26 5.43 A 118 L+25 5.36 A 117 L+24 5.28 A 116 L+23 5.24 A 115 L+22 4.89 A 114 L+21 4.82 A 113 L+20 4.59 A 112 L+19 4.57 A 111 L+18 4.52 A 110 L+17 4.4 A 109 L+16 4.2 A 108 L+15 4.0 A 107 L+14 3.84 A 106 L+13 3.64 A 105 L+12 3.61 A 104 L+11 3.52 A 103 L+10 3.14 A 102 L+9 2.9 A 101 L+8 2.8 A 100 L+7 2.62 A 99 L+6 2.17 A 98 L+5 1.7 A 97 L+4 0.48 A 96 L+3 0.24 A 95 L+2 0.04 A 94 L+1 -0.23 A 93 LUMO -0.28 A 92 HOMO -5.47 A 91 H-1 -5.57 A 90 H-2 -5.97 A 89 H-3 -6.34 A 88 H-4 -6.43 A 87 H-5 -6.79 A 86 H-6 -6.91 A 85 H-7 -7.05 A 84 H-8 -7.09 A 83 H-9 -7.61 A 82 H-10 -7.88 A 81 H-11 -8.57 A 80 H-12 -8.88 A 79 H-13 -9.24 A 78 H-14 -9.3 A 77 H-15 -9.35 A 76 H-16 -9.65 A 75 H-17 -9.77 A 74 H-18 -9.85 A 73 H-19 -9.97 A 72 H-20 -10.21 A 71 H-21 -10.3 A 70 H-22 -10.42 A 69 H-23 -10.64 A 68 H-24 -10.67 A 67 H-25 -11.0 A 66 H-26 -11.13 A 65 H-27 -11.22 A 64 H-28 -11.41 A 63 H-29 -11.6 A 62 H-30 -11.83 A 61 H-31 -11.92 A 60 H-32 -12.02 A 59 H-33 -12.18 A 58 H-34 -12.35 A 57 H-35 -12.9 A 56 H-36 -12.95 A 55 H-37 -13.14 A 54 H-38 -13.44 A 53 H-39 -13.55 A 52 H-40 -13.6 A 51 H-41 -14.32 A 50 H-42 -14.88 A 49 H-43 -15.34 A 48 H-44 -15.96 A 47 H-45 -16.36 A 46 H-46 -16.54 A 45 H-47 -16.96 A 44 H-48 -17.93 A 43 H-49 -18.68 A 42 H-50 -19.01 A 41 H-51 -19.75 A 40 H-52 -20.3 A 39 H-53 -20.65 A 38 H-54 -21.15 A 37 H-55 -22.44 A 36 H-56 -23.17 A 35 H-57 -24.29 A 34 H-58 -24.61 A 33 H-59 -25.39 A 32 H-60 -26.53 A 31 H-61 -27.02 A 30 H-62 -28.47 A 29 H-63 -28.65 A 28 H-64 -160.26 A 27 H-65 -160.45 A 26 H-66 -160.52 A 25 H-67 -215.91 A 24 H-68 -276.84 A 23 H-69 -276.89 A 22 H-70 -277.3 A 21 H-71 -277.34 A 20 H-72 -277.36 A 19 H-73 -277.37 A 18 H-74 -277.39 A 17 H-75 -277.57 A 16 H-76 -277.94 A 15 H-77 -278.44 A 14 H-78 -278.51 A 13 H-79 -278.79 A 12 H-80 -278.79 A 11 H-81 -279.07 A 10 H-82 -280.13 A 9 H-83 -280.28 A 8 H-84 -389.55 A 7 H-85 -390.79 A 6 H-86 -391.16 A 5 H-87 -518.58 A 4 H-88 -518.62 A 3 H-89 -520.56 A 2 H-90 -520.79 A 1 H-91 -2418.37 A