NBasis: 250 HOMO: 52 MO eV 250 L+197 131.71 249 L+196 130.35 248 L+195 125.82 247 L+194 124.98 246 L+193 123.09 245 L+192 121.45 244 L+191 120.03 243 L+190 118.05 242 L+189 117.32 241 L+188 114.3 240 L+187 111.64 239 L+186 111.43 238 L+185 107.22 237 L+184 104.64 236 L+183 96.3 235 L+182 95.91 234 L+181 95.28 233 L+180 93.14 232 L+179 92.13 231 L+178 90.6 230 L+177 89.76 229 L+176 89.36 228 L+175 86.94 227 L+174 86.36 226 L+173 85.15 225 L+172 83.84 224 L+171 83.35 223 L+170 81.84 222 L+169 81.12 221 L+168 80.72 220 L+167 80.59 219 L+166 79.59 218 L+165 79.0 217 L+164 78.47 216 L+163 77.43 215 L+162 76.98 214 L+161 76.44 213 L+160 76.21 212 L+159 75.98 211 L+158 75.29 210 L+157 75.17 209 L+156 74.61 208 L+155 73.74 207 L+154 73.36 206 L+153 72.88 205 L+152 72.47 204 L+151 71.73 203 L+150 71.4 202 L+149 71.1 201 L+148 70.17 200 L+147 69.77 199 L+146 69.04 198 L+145 68.52 197 L+144 67.88 196 L+143 67.67 195 L+142 67.27 194 L+141 66.85 193 L+140 65.86 192 L+139 65.51 191 L+138 64.61 190 L+137 64.34 189 L+136 64.14 188 L+135 62.61 187 L+134 62.39 186 L+133 62.19 185 L+132 61.09 184 L+131 60.66 183 L+130 59.55 182 L+129 59.52 181 L+128 58.91 180 L+127 58.69 179 L+126 58.16 178 L+125 57.75 177 L+124 57.12 176 L+123 56.43 175 L+122 55.63 174 L+121 55.33 173 L+120 54.91 172 L+119 54.64 171 L+118 54.11 170 L+117 53.89 169 L+116 53.49 168 L+115 52.96 167 L+114 52.46 166 L+113 52.24 165 L+112 51.7 164 L+111 51.51 163 L+110 51.36 162 L+109 50.92 161 L+108 50.7 160 L+107 50.18 159 L+106 49.91 158 L+105 49.33 157 L+104 48.86 156 L+103 48.59 155 L+102 47.92 154 L+101 47.49 153 L+100 47.34 152 L+99 46.9 151 L+98 46.59 150 L+97 46.08 149 L+96 45.49 148 L+95 44.98 147 L+94 44.47 146 L+93 43.67 145 L+92 43.32 144 L+91 43.01 143 L+90 41.87 142 L+89 41.45 141 L+88 40.96 140 L+87 40.65 139 L+86 39.31 138 L+85 39.06 137 L+84 38.16 136 L+83 37.32 135 L+82 36.36 134 L+81 36.05 133 L+80 35.51 132 L+79 35.32 131 L+78 33.63 130 L+77 32.17 129 L+76 31.8 128 L+75 31.69 127 L+74 31.38 126 L+73 30.57 125 L+72 30.11 124 L+71 29.8 123 L+70 29.42 122 L+69 28.72 121 L+68 28.41 120 L+67 28.05 119 L+66 27.76 118 L+65 27.37 117 L+64 26.96 116 L+63 26.75 115 L+62 26.2 114 L+61 25.36 113 L+60 25.15 112 L+59 24.56 111 L+58 24.46 110 L+57 24.02 109 L+56 23.75 108 L+55 23.45 107 L+54 23.07 106 L+53 22.95 105 L+52 22.75 104 L+51 22.5 103 L+50 21.94 102 L+49 21.86 101 L+48 21.58 100 L+47 21.16 99 L+46 20.98 98 L+45 20.09 97 L+44 19.96 96 L+43 19.79 95 L+42 18.8 94 L+41 18.71 93 L+40 18.17 92 L+39 17.8 91 L+38 17.55 90 L+37 17.07 89 L+36 17.03 88 L+35 16.69 87 L+34 16.09 86 L+33 15.64 85 L+32 15.38 84 L+31 15.18 83 L+30 14.86 82 L+29 14.46 81 L+28 14.31 80 L+27 13.99 79 L+26 13.36 78 L+25 11.88 77 L+24 11.08 76 L+23 10.64 75 L+22 10.3 74 L+21 9.35 73 L+20 9.18 72 L+19 8.28 71 L+18 7.62 70 L+17 7.08 69 L+16 6.72 68 L+15 6.16 67 L+14 6.11 66 L+13 5.35 65 L+12 5.13 64 L+11 4.88 63 L+10 4.48 62 L+9 4.18 61 L+8 4.08 60 L+7 3.92 59 L+6 3.74 58 L+5 3.35 57 L+4 2.97 56 L+3 2.59 55 L+2 2.34 54 L+1 0.63 53 LUMO 0.05 52 HOMO -5.44 51 H-1 -5.58 50 H-2 -6.04 49 H-3 -6.15 48 H-4 -7.16 47 H-5 -7.25 46 H-6 -7.66 45 H-7 -8.78 44 H-8 -9.21 43 H-9 -9.35 42 H-10 -9.76 41 H-11 -10.13 40 H-12 -10.16 39 H-13 -10.54 38 H-14 -10.6 37 H-15 -11.02 36 H-16 -11.2 35 H-17 -11.38 34 H-18 -11.81 33 H-19 -12.26 32 H-20 -12.4 31 H-21 -13.0 30 H-22 -13.19 29 H-23 -13.77 28 H-24 -14.43 27 H-25 -14.58 26 H-26 -15.46 25 H-27 -17.14 24 H-28 -18.18 23 H-29 -18.72 22 H-30 -20.6 21 H-31 -22.02 20 H-32 -24.71 19 H-33 -25.87 18 H-34 -27.05 17 H-35 -27.33 16 H-36 -28.48 15 H-37 -29.57 14 H-38 -276.66 13 H-39 -277.61 12 H-40 -278.04 11 H-41 -278.28 10 H-42 -278.81 9 H-43 -278.88 8 H-44 -279.67 7 H-45 -280.27 6 H-46 -390.67 5 H-47 -518.66 4 H-48 -518.69 3 H-49 -520.75 2 H-50 -520.85 1 H-51 -521.98