NBasis: 310 HOMO: 61 MO eV 310 L+248 133.1 309 L+247 127.83 308 L+246 126.92 307 L+245 125.62 306 L+244 123.88 305 L+243 122.99 304 L+242 121.47 303 L+241 120.53 302 L+240 120.05 301 L+239 117.48 300 L+238 116.68 299 L+237 115.35 298 L+236 114.47 297 L+235 112.65 296 L+234 111.76 295 L+233 108.98 294 L+232 106.27 293 L+231 102.01 292 L+230 98.78 291 L+229 96.38 290 L+228 94.45 289 L+227 94.2 288 L+226 93.25 287 L+225 92.94 286 L+224 91.52 285 L+223 90.56 284 L+222 89.99 283 L+221 89.37 282 L+220 87.49 281 L+219 87.34 280 L+218 87.1 279 L+217 86.93 278 L+216 85.78 277 L+215 84.34 276 L+214 83.71 275 L+213 82.23 274 L+212 81.43 273 L+211 80.72 272 L+210 80.1 271 L+209 79.83 270 L+208 78.66 269 L+207 78.56 268 L+206 78.04 267 L+205 77.84 266 L+204 77.19 265 L+203 76.79 264 L+202 76.36 263 L+201 75.95 262 L+200 75.79 261 L+199 75.36 260 L+198 74.85 259 L+197 74.51 258 L+196 74.05 257 L+195 73.6 256 L+194 73.05 255 L+193 72.93 254 L+192 72.03 253 L+191 71.57 252 L+190 71.35 251 L+189 71.02 250 L+188 70.63 249 L+187 70.32 248 L+186 69.72 247 L+185 69.26 246 L+184 68.75 245 L+183 68.16 244 L+182 67.96 243 L+181 67.67 242 L+180 67.0 241 L+179 66.73 240 L+178 65.72 239 L+177 65.24 238 L+176 64.55 237 L+175 64.38 236 L+174 64.19 235 L+173 63.88 234 L+172 63.0 233 L+171 62.86 232 L+170 62.49 231 L+169 62.2 230 L+168 61.78 229 L+167 61.37 228 L+166 60.2 227 L+165 60.04 226 L+164 59.12 225 L+163 59.0 224 L+162 58.75 223 L+161 58.28 222 L+160 57.9 221 L+159 57.56 220 L+158 57.43 219 L+157 57.15 218 L+156 57.05 217 L+155 56.6 216 L+154 56.32 215 L+153 56.18 214 L+152 56.03 213 L+151 55.79 212 L+150 55.47 211 L+149 55.29 210 L+148 55.03 209 L+147 54.53 208 L+146 54.12 207 L+145 53.44 206 L+144 53.24 205 L+143 52.85 204 L+142 52.2 203 L+141 52.15 202 L+140 51.75 201 L+139 51.47 200 L+138 51.24 199 L+137 50.88 198 L+136 50.76 197 L+135 50.64 196 L+134 50.29 195 L+133 50.13 194 L+132 49.44 193 L+131 48.91 192 L+130 48.23 191 L+129 48.08 190 L+128 47.79 189 L+127 47.28 188 L+126 47.12 187 L+125 46.89 186 L+124 46.69 185 L+123 46.23 184 L+122 45.92 183 L+121 45.19 182 L+120 44.67 181 L+119 43.35 180 L+118 42.99 179 L+117 41.98 178 L+116 41.56 177 L+115 40.86 176 L+114 40.49 175 L+113 40.1 174 L+112 39.25 173 L+111 38.57 172 L+110 38.33 171 L+109 37.93 170 L+108 37.77 169 L+107 37.47 168 L+106 37.12 167 L+105 36.53 166 L+104 36.08 165 L+103 35.53 164 L+102 35.28 163 L+101 34.7 162 L+100 33.93 161 L+99 33.56 160 L+98 33.25 159 L+97 33.03 158 L+96 32.69 157 L+95 32.18 156 L+94 31.6 155 L+93 30.71 154 L+92 30.35 153 L+91 29.26 152 L+90 29.14 151 L+89 28.79 150 L+88 28.36 149 L+87 28.31 148 L+86 28.05 147 L+85 27.59 146 L+84 27.51 145 L+83 26.97 144 L+82 26.8 143 L+81 26.26 142 L+80 25.76 141 L+79 25.62 140 L+78 25.47 139 L+77 25.14 138 L+76 24.91 137 L+75 24.75 136 L+74 24.36 135 L+73 24.29 134 L+72 23.77 133 L+71 23.73 132 L+70 23.3 131 L+69 23.07 130 L+68 22.7 129 L+67 22.34 128 L+66 22.33 127 L+65 22.25 126 L+64 21.76 125 L+63 21.47 124 L+62 20.75 123 L+61 20.58 122 L+60 20.35 121 L+59 20.16 120 L+58 19.5 119 L+57 19.11 118 L+56 19.07 117 L+55 18.62 116 L+54 18.12 115 L+53 18.0 114 L+52 17.67 113 L+51 17.42 112 L+50 17.31 111 L+49 17.24 110 L+48 17.08 109 L+47 16.79 108 L+46 16.66 107 L+45 16.19 106 L+44 15.84 105 L+43 15.75 104 L+42 15.33 103 L+41 14.93 102 L+40 14.81 101 L+39 14.5 100 L+38 14.35 99 L+37 14.16 98 L+36 13.81 97 L+35 13.67 96 L+34 13.11 95 L+33 12.96 94 L+32 12.71 93 L+31 12.16 92 L+30 11.71 91 L+29 10.74 90 L+28 10.44 89 L+27 9.81 88 L+26 9.52 87 L+25 8.53 86 L+24 8.4 85 L+23 7.93 84 L+22 7.5 83 L+21 7.29 82 L+20 6.62 81 L+19 6.52 80 L+18 6.24 79 L+17 5.65 78 L+16 5.5 77 L+15 5.37 76 L+14 5.14 75 L+13 4.9 74 L+12 4.66 73 L+11 4.62 72 L+10 4.43 71 L+9 4.14 70 L+8 3.75 69 L+7 3.64 68 L+6 3.46 67 L+5 3.06 66 L+4 2.88 65 L+3 1.82 64 L+2 0.34 63 L+1 -0.44 62 LUMO -1.31 61 HOMO -5.14 60 H-1 -5.45 59 H-2 -5.65 58 H-3 -5.74 57 H-4 -6.36 56 H-5 -6.87 55 H-6 -7.35 54 H-7 -7.67 53 H-8 -9.06 52 H-9 -9.45 51 H-10 -9.59 50 H-11 -9.67 49 H-12 -9.96 48 H-13 -10.1 47 H-14 -10.18 46 H-15 -10.31 45 H-16 -10.52 44 H-17 -10.72 43 H-18 -10.77 42 H-19 -10.94 41 H-20 -11.49 40 H-21 -11.72 39 H-22 -11.86 38 H-23 -12.05 37 H-24 -12.34 36 H-25 -12.75 35 H-26 -12.94 34 H-27 -14.07 33 H-28 -14.16 32 H-29 -14.75 31 H-30 -15.91 30 H-31 -16.9 29 H-32 -17.45 28 H-33 -17.86 27 H-34 -19.32 26 H-35 -20.11 25 H-36 -21.22 24 H-37 -21.45 23 H-38 -22.16 22 H-39 -24.29 21 H-40 -25.38 20 H-41 -26.66 19 H-42 -26.96 18 H-43 -27.29 17 H-44 -276.72 16 H-45 -276.99 15 H-46 -277.09 14 H-47 -277.35 13 H-48 -277.41 12 H-49 -277.68 11 H-50 -278.25 10 H-51 -278.32 9 H-52 -278.61 8 H-53 -278.67 7 H-54 -278.9 6 H-55 -279.36 5 H-56 -389.99 4 H-57 -391.63 3 H-58 -518.31 2 H-59 -518.32 1 H-60 -519.64