NBasis: 359 HOMO: 75 Groups: 0 MO eV 359 L+283 132.13 358 L+282 130.5 357 L+281 128.34 356 L+280 126.82 355 L+279 126.27 354 L+278 123.66 353 L+277 123.04 352 L+276 122.01 351 L+275 121.33 350 L+274 119.26 349 L+273 118.13 348 L+272 117.73 347 L+271 114.82 346 L+270 113.59 345 L+269 113.32 344 L+268 111.7 343 L+267 107.97 342 L+266 107.47 341 L+265 105.95 340 L+264 95.73 339 L+263 95.42 338 L+262 95.17 337 L+261 94.93 336 L+260 93.93 335 L+259 93.88 334 L+258 93.32 333 L+257 93.18 332 L+256 91.02 331 L+255 90.1 330 L+254 89.91 329 L+253 89.61 328 L+252 89.2 327 L+251 87.83 326 L+250 87.61 325 L+249 87.32 324 L+248 84.8 323 L+247 83.98 322 L+246 83.03 321 L+245 81.88 320 L+244 81.72 319 L+243 81.56 318 L+242 80.76 317 L+241 80.56 316 L+240 80.32 315 L+239 79.75 314 L+238 78.98 313 L+237 78.7 312 L+236 78.24 311 L+235 77.87 310 L+234 77.16 309 L+233 76.85 308 L+232 76.54 307 L+231 76.25 306 L+230 76.17 305 L+229 75.86 304 L+228 75.68 303 L+227 75.29 302 L+226 74.81 301 L+225 74.71 300 L+224 74.2 299 L+223 73.93 298 L+222 73.7 297 L+221 73.52 296 L+220 73.33 295 L+219 73.1 294 L+218 72.4 293 L+217 72.36 292 L+216 71.68 291 L+215 71.35 290 L+214 70.83 289 L+213 70.29 288 L+212 69.94 287 L+211 69.42 286 L+210 68.71 285 L+209 68.57 284 L+208 68.35 283 L+207 66.92 282 L+206 66.57 281 L+205 66.15 280 L+204 66.13 279 L+203 65.86 278 L+202 65.55 277 L+201 65.13 276 L+200 64.93 275 L+199 64.55 274 L+198 64.32 273 L+197 63.64 272 L+196 62.96 271 L+195 62.32 270 L+194 62.04 269 L+193 61.69 268 L+192 61.27 267 L+191 60.9 266 L+190 60.4 265 L+189 59.92 264 L+188 59.53 263 L+187 59.15 262 L+186 58.63 261 L+185 58.51 260 L+184 58.23 259 L+183 57.94 258 L+182 57.81 257 L+181 57.27 256 L+180 57.08 255 L+179 56.94 254 L+178 56.61 253 L+177 56.29 252 L+176 55.97 251 L+175 55.69 250 L+174 55.37 249 L+173 55.12 248 L+172 54.94 247 L+171 54.84 246 L+170 54.47 245 L+169 54.14 244 L+168 53.74 243 L+167 53.38 242 L+166 53.07 241 L+165 52.92 240 L+164 52.8 239 L+163 52.53 238 L+162 52.07 237 L+161 51.96 236 L+160 51.75 235 L+159 51.4 234 L+158 51.25 233 L+157 50.88 232 L+156 50.59 231 L+155 50.09 230 L+154 49.77 229 L+153 49.58 228 L+152 49.41 227 L+151 49.19 226 L+150 48.74 225 L+149 48.56 224 L+148 48.07 223 L+147 47.67 222 L+146 47.09 221 L+145 47.04 220 L+144 46.57 219 L+143 46.41 218 L+142 45.93 217 L+141 45.52 216 L+140 44.88 215 L+139 44.71 214 L+138 44.28 213 L+137 44.23 212 L+136 43.76 211 L+135 43.21 210 L+134 42.9 209 L+133 42.8 208 L+132 41.51 207 L+131 41.33 206 L+130 41.12 205 L+129 40.56 204 L+128 39.79 203 L+127 39.13 202 L+126 38.89 201 L+125 38.52 200 L+124 37.95 199 L+123 37.22 198 L+122 37.04 197 L+121 36.56 196 L+120 35.67 195 L+119 35.2 194 L+118 34.94 193 L+117 33.85 192 L+116 33.41 191 L+115 33.19 190 L+114 32.74 189 L+113 32.29 188 L+112 31.4 187 L+111 31.2 186 L+110 30.7 185 L+109 30.46 184 L+108 30.11 183 L+107 29.34 182 L+106 29.18 181 L+105 28.93 180 L+104 28.42 179 L+103 28.21 178 L+102 28.05 177 L+101 27.72 176 L+100 27.47 175 L+99 27.1 174 L+98 26.81 173 L+97 26.4 172 L+96 26.11 171 L+95 26.08 170 L+94 25.82 169 L+93 25.67 168 L+92 25.34 167 L+91 25.15 166 L+90 24.94 165 L+89 24.92 164 L+88 24.77 163 L+87 24.55 162 L+86 24.41 161 L+85 24.17 160 L+84 23.86 159 L+83 23.66 158 L+82 23.32 157 L+81 23.25 156 L+80 23.17 155 L+79 23.0 154 L+78 22.77 153 L+77 22.61 152 L+76 22.35 151 L+75 22.09 150 L+74 21.94 149 L+73 21.7 148 L+72 21.52 147 L+71 21.34 146 L+70 20.94 145 L+69 20.39 144 L+68 20.0 143 L+67 19.52 142 L+66 19.23 141 L+65 19.05 140 L+64 18.97 139 L+63 18.5 138 L+62 18.31 137 L+61 18.05 136 L+60 17.66 135 L+59 17.56 134 L+58 17.47 133 L+57 17.2 132 L+56 16.9 131 L+55 16.68 130 L+54 16.32 129 L+53 15.92 128 L+52 15.84 127 L+51 15.61 126 L+50 15.49 125 L+49 15.32 124 L+48 14.9 123 L+47 14.82 122 L+46 14.52 121 L+45 14.49 120 L+44 14.27 119 L+43 13.95 118 L+42 13.6 117 L+41 12.43 116 L+40 12.35 115 L+39 11.7 114 L+38 11.05 113 L+37 10.68 112 L+36 10.24 111 L+35 10.06 110 L+34 9.44 109 L+33 9.0 108 L+32 8.37 107 L+31 8.03 106 L+30 7.86 105 L+29 7.71 104 L+28 7.57 103 L+27 7.25 102 L+26 6.83 101 L+25 6.48 100 L+24 6.19 99 L+23 5.93 98 L+22 5.88 97 L+21 5.37 96 L+20 5.24 95 L+19 5.12 94 L+18 5.01 93 L+17 4.96 92 L+16 4.83 91 L+15 4.61 90 L+14 4.57 89 L+13 4.27 88 L+12 4.2 87 L+11 3.95 86 L+10 3.87 85 L+9 3.6 84 L+8 3.44 83 L+7 3.31 82 L+6 3.05 81 L+5 2.76 80 L+4 2.04 79 L+3 1.81 78 L+2 0.5 77 L+1 0.25 76 LUMO -0.39 75 HOMO -5.28 74 H-1 -5.59 73 H-2 -5.89 72 H-3 -5.99 71 H-4 -6.78 70 H-5 -7.0 69 H-6 -7.37 68 H-7 -7.71 67 H-8 -8.28 66 H-9 -8.65 65 H-10 -8.91 64 H-11 -9.02 63 H-12 -9.43 62 H-13 -9.49 61 H-14 -9.61 60 H-15 -9.84 59 H-16 -9.98 58 H-17 -10.13 57 H-18 -10.35 56 H-19 -10.42 55 H-20 -10.54 54 H-21 -10.71 53 H-22 -10.78 52 H-23 -10.98 51 H-24 -11.3 50 H-25 -11.53 49 H-26 -11.68 48 H-27 -11.98 47 H-28 -12.72 46 H-29 -12.81 45 H-30 -13.03 44 H-31 -13.34 43 H-32 -13.85 42 H-33 -14.29 41 H-34 -14.88 40 H-35 -15.08 39 H-36 -16.11 38 H-37 -16.21 37 H-38 -16.63 36 H-39 -17.39 35 H-40 -18.51 34 H-41 -20.03 33 H-42 -20.43 32 H-43 -21.19 31 H-44 -21.42 30 H-45 -22.42 29 H-46 -24.65 28 H-47 -26.53 27 H-48 -27.08 26 H-49 -27.78 25 H-50 -27.94 24 H-51 -28.54 23 H-52 -160.6 22 H-53 -160.77 21 H-54 -160.86 20 H-55 -216.24 19 H-56 -276.9 18 H-57 -277.07 17 H-58 -277.11 16 H-59 -277.72 15 H-60 -277.86 14 H-61 -278.04 13 H-62 -278.28 12 H-63 -278.52 11 H-64 -278.8 10 H-65 -279.01 9 H-66 -279.09 8 H-67 -280.19 7 H-68 -390.97 6 H-69 -518.64 5 H-70 -518.64 4 H-71 -520.74 3 H-72 -520.96 2 H-73 -521.07 1 H-74 -2418.72