NBasis: 269 HOMO: 57 MO eV 269 L+211 132.26 268 L+210 130.27 267 L+209 127.1 266 L+208 125.55 265 L+207 124.13 264 L+206 122.0 263 L+205 120.51 262 L+204 119.46 261 L+203 115.93 260 L+202 113.86 259 L+201 113.52 258 L+200 109.47 257 L+199 107.07 256 L+198 106.59 255 L+197 95.53 254 L+196 95.05 253 L+195 94.89 252 L+194 93.58 251 L+193 93.56 250 L+192 93.18 249 L+191 92.67 248 L+190 90.54 247 L+189 89.62 246 L+188 88.57 245 L+187 87.43 244 L+186 87.05 243 L+185 85.89 242 L+184 83.7 241 L+183 83.35 240 L+182 81.7 239 L+181 80.97 238 L+180 80.54 237 L+179 80.4 236 L+178 79.58 235 L+177 79.41 234 L+176 79.15 233 L+175 78.86 232 L+174 78.22 231 L+173 77.16 230 L+172 76.31 229 L+171 75.82 228 L+170 75.45 227 L+169 75.05 226 L+168 74.77 225 L+167 74.23 224 L+166 73.92 223 L+165 73.31 222 L+164 72.91 221 L+163 72.23 220 L+162 71.33 219 L+161 71.1 218 L+160 70.48 217 L+159 70.19 216 L+158 69.64 215 L+157 69.02 214 L+156 68.59 213 L+155 68.02 212 L+154 67.76 211 L+153 67.29 210 L+152 66.81 209 L+151 65.71 208 L+150 64.63 207 L+149 64.06 206 L+148 63.77 205 L+147 63.33 204 L+146 63.22 203 L+145 61.75 202 L+144 61.4 201 L+143 60.82 200 L+142 60.0 199 L+141 59.68 198 L+140 59.36 197 L+139 58.91 196 L+138 58.61 195 L+137 58.29 194 L+136 57.82 193 L+135 57.55 192 L+134 57.46 191 L+133 56.58 190 L+132 56.22 189 L+131 55.59 188 L+130 55.22 187 L+129 54.94 186 L+128 54.59 185 L+127 54.37 184 L+126 54.02 183 L+125 53.47 182 L+124 53.32 181 L+123 53.01 180 L+122 52.62 179 L+121 52.36 178 L+120 51.59 177 L+119 51.53 176 L+118 51.23 175 L+117 50.85 174 L+116 50.71 173 L+115 50.26 172 L+114 50.1 171 L+113 49.77 170 L+112 49.12 169 L+111 48.63 168 L+110 48.22 167 L+109 47.93 166 L+108 47.35 165 L+107 46.79 164 L+106 46.04 163 L+105 45.44 162 L+104 45.0 161 L+103 44.7 160 L+102 43.7 159 L+101 43.27 158 L+100 42.33 157 L+99 42.02 156 L+98 41.19 155 L+97 40.35 154 L+96 39.85 153 L+95 38.64 152 L+94 37.77 151 L+93 36.79 150 L+92 36.43 149 L+91 35.92 148 L+90 34.92 147 L+89 34.83 146 L+88 33.61 145 L+87 32.59 144 L+86 31.59 143 L+85 31.55 142 L+84 30.79 141 L+83 30.31 140 L+82 29.82 139 L+81 29.72 138 L+80 28.9 137 L+79 28.32 136 L+78 28.01 135 L+77 27.51 134 L+76 27.4 133 L+75 26.78 132 L+74 26.61 131 L+73 26.33 130 L+72 26.23 129 L+71 25.81 128 L+70 25.49 127 L+69 25.29 126 L+68 25.04 125 L+67 24.77 124 L+66 24.61 123 L+65 24.25 122 L+64 24.16 121 L+63 23.67 120 L+62 23.67 119 L+61 23.44 118 L+60 23.33 117 L+59 23.27 116 L+58 22.97 115 L+57 22.68 114 L+56 22.36 113 L+55 21.97 112 L+54 21.39 111 L+53 21.25 110 L+52 20.62 109 L+51 20.19 108 L+50 19.94 107 L+49 19.58 106 L+48 19.18 105 L+47 18.9 104 L+46 18.66 103 L+45 18.45 102 L+44 18.35 101 L+43 17.91 100 L+42 17.17 99 L+41 16.83 98 L+40 16.56 97 L+39 15.88 96 L+38 15.64 95 L+37 15.29 94 L+36 14.97 93 L+35 14.83 92 L+34 14.39 91 L+33 14.04 90 L+32 13.34 89 L+31 12.5 88 L+30 11.69 87 L+29 11.46 86 L+28 11.07 85 L+27 10.76 84 L+26 9.98 83 L+25 9.66 82 L+24 9.01 81 L+23 8.36 80 L+22 7.95 79 L+21 7.57 78 L+20 7.23 77 L+19 7.09 76 L+18 6.34 75 L+17 6.1 74 L+16 5.66 73 L+15 5.43 72 L+14 5.33 71 L+13 4.94 70 L+12 4.84 69 L+11 4.62 68 L+10 4.47 67 L+9 4.04 66 L+8 3.9 65 L+7 3.73 64 L+6 3.23 63 L+5 3.16 62 L+4 2.64 61 L+3 2.21 60 L+2 1.76 59 L+1 0.42 58 LUMO 0.24 57 HOMO -5.42 56 H-1 -5.52 55 H-2 -5.93 54 H-3 -6.14 53 H-4 -6.51 52 H-5 -6.91 51 H-6 -7.85 50 H-7 -8.48 49 H-8 -8.8 48 H-9 -9.14 47 H-10 -9.51 46 H-11 -9.67 45 H-12 -9.79 44 H-13 -10.01 43 H-14 -10.29 42 H-15 -10.52 41 H-16 -10.6 40 H-17 -10.98 39 H-18 -11.12 38 H-19 -11.68 37 H-20 -11.9 36 H-21 -12.31 35 H-22 -12.68 34 H-23 -12.95 33 H-24 -13.22 32 H-25 -13.9 31 H-26 -14.7 30 H-27 -14.91 29 H-28 -16.65 28 H-29 -17.67 27 H-30 -18.64 26 H-31 -19.5 25 H-32 -20.61 24 H-33 -22.3 23 H-34 -24.18 22 H-35 -24.56 21 H-36 -26.29 20 H-37 -26.96 19 H-38 -28.38 18 H-39 -160.14 17 H-40 -160.32 16 H-41 -160.4 15 H-42 -215.79 14 H-43 -276.81 13 H-44 -276.84 12 H-45 -277.85 11 H-46 -278.41 10 H-47 -278.42 9 H-48 -278.74 8 H-49 -278.86 7 H-50 -279.83 6 H-51 -389.86 5 H-52 -390.61 4 H-53 -518.53 3 H-54 -518.58 2 H-55 -520.6 1 H-56 -2418.25