NBasis: 359 HOMO: 78 MO eV 359 L+280 131.04 358 L+279 130.19 357 L+278 127.69 356 L+277 126.82 355 L+276 126.26 354 L+275 123.84 353 L+274 122.6 352 L+273 121.19 351 L+272 120.32 350 L+271 118.04 349 L+270 116.58 348 L+269 113.91 347 L+268 112.81 346 L+267 111.13 345 L+266 110.82 344 L+265 109.61 343 L+264 108.17 342 L+263 107.11 341 L+262 106.02 340 L+261 100.9 339 L+260 98.11 338 L+259 95.13 337 L+258 94.84 336 L+257 94.04 335 L+256 93.65 334 L+255 92.7 333 L+254 91.06 332 L+253 90.33 331 L+252 89.37 330 L+251 89.04 329 L+250 87.94 328 L+249 86.8 327 L+248 86.66 326 L+247 85.27 325 L+246 83.61 324 L+245 83.03 323 L+244 82.63 322 L+243 81.24 321 L+242 81.12 320 L+241 80.85 319 L+240 80.46 318 L+239 79.6 317 L+238 79.25 316 L+237 78.89 315 L+236 78.53 314 L+235 78.12 313 L+234 77.58 312 L+233 77.35 311 L+232 76.63 310 L+231 76.33 309 L+230 75.66 308 L+229 75.48 307 L+228 74.94 306 L+227 74.28 305 L+226 74.16 304 L+225 73.73 303 L+224 73.43 302 L+223 73.37 301 L+222 73.18 300 L+221 72.18 299 L+220 72.09 298 L+219 71.7 297 L+218 71.35 296 L+217 70.83 295 L+216 70.53 294 L+215 69.94 293 L+214 69.84 292 L+213 69.39 291 L+212 68.83 290 L+211 68.34 289 L+210 68.1 288 L+209 67.85 287 L+208 67.55 286 L+207 66.91 285 L+206 66.43 284 L+205 65.73 283 L+204 64.93 282 L+203 64.89 281 L+202 64.35 280 L+201 64.09 279 L+200 63.84 278 L+199 63.31 277 L+198 63.07 276 L+197 62.67 275 L+196 62.47 274 L+195 62.26 273 L+194 61.76 272 L+193 61.49 271 L+192 61.09 270 L+191 60.46 269 L+190 60.15 268 L+189 59.67 267 L+188 59.41 266 L+187 59.04 265 L+186 58.76 264 L+185 58.12 263 L+184 57.98 262 L+183 57.82 261 L+182 57.6 260 L+181 57.17 259 L+180 56.87 258 L+179 56.22 257 L+178 55.96 256 L+177 55.69 255 L+176 55.36 254 L+175 55.31 253 L+174 55.03 252 L+173 54.82 251 L+172 54.6 250 L+171 53.78 249 L+170 53.28 248 L+169 53.18 247 L+168 53.07 246 L+167 52.66 245 L+166 52.5 244 L+165 52.16 243 L+164 52.09 242 L+163 51.92 241 L+162 51.38 240 L+161 51.08 239 L+160 50.93 238 L+159 50.72 237 L+158 50.6 236 L+157 50.37 235 L+156 50.31 234 L+155 50.04 233 L+154 49.87 232 L+153 49.48 231 L+152 49.47 230 L+151 49.12 229 L+150 48.89 228 L+149 48.39 227 L+148 48.09 226 L+147 47.74 225 L+146 47.33 224 L+145 47.15 223 L+144 46.75 222 L+143 46.36 221 L+142 46.01 220 L+141 45.42 219 L+140 45.27 218 L+139 45.04 217 L+138 44.8 216 L+137 44.24 215 L+136 43.32 214 L+135 43.19 213 L+134 42.47 212 L+133 41.73 211 L+132 41.47 210 L+131 41.13 209 L+130 40.54 208 L+129 40.13 207 L+128 39.7 206 L+127 39.56 205 L+126 38.81 204 L+125 37.98 203 L+124 37.59 202 L+123 36.8 201 L+122 36.46 200 L+121 36.03 199 L+120 35.52 198 L+119 35.3 197 L+118 34.65 196 L+117 34.6 195 L+116 33.97 194 L+115 33.23 193 L+114 33.08 192 L+113 32.56 191 L+112 32.24 190 L+111 31.82 189 L+110 31.13 188 L+109 30.67 187 L+108 30.27 186 L+107 30.08 185 L+106 29.79 184 L+105 29.25 183 L+104 29.1 182 L+103 28.89 181 L+102 28.62 180 L+101 28.35 179 L+100 28.0 178 L+99 27.74 177 L+98 27.38 176 L+97 27.08 175 L+96 26.96 174 L+95 26.73 173 L+94 26.36 172 L+93 25.75 171 L+92 25.43 170 L+91 25.27 169 L+90 25.14 168 L+89 24.91 167 L+88 24.79 166 L+87 24.68 165 L+86 24.24 164 L+85 24.08 163 L+84 23.87 162 L+83 23.7 161 L+82 23.44 160 L+81 23.29 159 L+80 23.03 158 L+79 22.94 157 L+78 22.64 156 L+77 22.49 155 L+76 22.36 154 L+75 22.16 153 L+74 21.99 152 L+73 21.63 151 L+72 21.49 150 L+71 21.07 149 L+70 20.82 148 L+69 20.74 147 L+68 20.48 146 L+67 20.24 145 L+66 19.8 144 L+65 19.6 143 L+64 19.48 142 L+63 19.3 141 L+62 18.95 140 L+61 18.67 139 L+60 18.53 138 L+59 18.22 137 L+58 17.63 136 L+57 17.52 135 L+56 17.13 134 L+55 17.09 133 L+54 16.66 132 L+53 16.41 131 L+52 16.28 130 L+51 16.07 129 L+50 15.61 128 L+49 15.41 127 L+48 15.33 126 L+47 14.71 125 L+46 14.51 124 L+45 14.34 123 L+44 14.11 122 L+43 13.86 121 L+42 13.22 120 L+41 12.82 119 L+40 12.66 118 L+39 12.31 117 L+38 11.68 116 L+37 11.63 115 L+36 11.24 114 L+35 10.6 113 L+34 10.3 112 L+33 9.7 111 L+32 9.36 110 L+31 8.81 109 L+30 8.38 108 L+29 7.66 107 L+28 7.31 106 L+27 7.09 105 L+26 6.76 104 L+25 6.61 103 L+24 6.38 102 L+23 6.16 101 L+22 5.81 100 L+21 5.69 99 L+20 5.28 98 L+19 4.9 97 L+18 4.78 96 L+17 4.69 95 L+16 4.63 94 L+15 4.31 93 L+14 3.99 92 L+13 3.87 91 L+12 3.81 90 L+11 3.63 89 L+10 3.31 88 L+9 3.08 87 L+8 2.47 86 L+7 2.15 85 L+6 1.93 84 L+5 1.61 83 L+4 1.31 82 L+3 1.16 81 L+2 0.84 80 L+1 0.04 79 LUMO -0.31 78 HOMO -5.77 77 H-1 -5.86 76 H-2 -6.26 75 H-3 -7.17 74 H-4 -7.24 73 H-5 -7.53 72 H-6 -7.59 71 H-7 -7.99 70 H-8 -8.31 69 H-9 -8.47 68 H-10 -8.84 67 H-11 -9.12 66 H-12 -9.31 65 H-13 -9.4 64 H-14 -10.06 63 H-15 -10.2 62 H-16 -10.29 61 H-17 -10.38 60 H-18 -10.88 59 H-19 -10.94 58 H-20 -11.13 57 H-21 -11.18 56 H-22 -11.55 55 H-23 -11.81 54 H-24 -11.94 53 H-25 -12.09 52 H-26 -12.42 51 H-27 -12.54 50 H-28 -12.81 49 H-29 -13.05 48 H-30 -13.42 47 H-31 -13.67 46 H-32 -13.85 45 H-33 -14.26 44 H-34 -14.56 43 H-35 -15.17 42 H-36 -15.58 41 H-37 -16.42 40 H-38 -17.18 39 H-39 -17.49 38 H-40 -18.71 37 H-41 -19.51 36 H-42 -20.18 35 H-43 -21.28 34 H-44 -21.94 33 H-45 -22.94 32 H-46 -24.96 31 H-47 -25.14 30 H-48 -26.74 29 H-49 -27.3 28 H-50 -27.37 27 H-51 -28.8 26 H-52 -29.89 25 H-53 -30.06 24 H-54 -165.59 23 H-55 -165.6 22 H-56 -165.64 21 H-57 -221.03 20 H-58 -277.33 19 H-59 -277.94 18 H-60 -278.01 17 H-61 -278.49 16 H-62 -278.51 15 H-63 -278.79 14 H-64 -279.03 13 H-65 -279.11 12 H-66 -279.38 11 H-67 -280.43 10 H-68 -390.74 9 H-69 -391.19 8 H-70 -391.64 7 H-71 -392.71 6 H-72 -518.9 5 H-73 -518.94 4 H-74 -520.95 3 H-75 -521.21 2 H-76 -521.23 1 H-77 -2424.29