NBasis: 279 HOMO: 61 MO eV 279 L+217 130.82 278 L+216 130.07 277 L+215 127.0 276 L+214 126.22 275 L+213 123.92 274 L+212 121.71 273 L+211 120.45 272 L+210 120.13 271 L+209 117.63 270 L+208 115.11 269 L+207 112.88 268 L+206 111.0 267 L+205 108.65 266 L+204 107.26 265 L+203 105.66 264 L+202 95.07 263 L+201 94.84 262 L+200 94.62 261 L+199 93.45 260 L+198 93.15 259 L+197 92.82 258 L+196 90.39 257 L+195 89.15 256 L+194 88.5 255 L+193 87.31 254 L+192 86.9 253 L+191 85.34 252 L+190 83.68 251 L+189 82.99 250 L+188 81.37 249 L+187 80.92 248 L+186 80.53 247 L+185 79.41 246 L+184 79.37 245 L+183 79.07 244 L+182 78.64 243 L+181 78.07 242 L+180 77.08 241 L+179 76.7 240 L+178 75.83 239 L+177 75.44 238 L+176 75.0 237 L+175 74.6 236 L+174 74.16 235 L+173 73.85 234 L+172 73.31 233 L+171 73.09 232 L+170 72.71 231 L+169 71.97 230 L+168 71.54 229 L+167 70.65 228 L+166 70.4 227 L+165 69.97 226 L+164 69.47 225 L+163 69.06 224 L+162 68.23 223 L+161 68.0 222 L+160 66.86 221 L+159 66.39 220 L+158 64.92 219 L+157 64.63 218 L+156 64.08 217 L+155 63.46 216 L+154 63.18 215 L+153 62.83 214 L+152 61.95 213 L+151 60.94 212 L+150 60.2 211 L+149 59.82 210 L+148 59.39 209 L+147 58.73 208 L+146 58.36 207 L+145 58.25 206 L+144 57.9 205 L+143 57.66 204 L+142 57.43 203 L+141 57.0 202 L+140 56.62 201 L+139 56.11 200 L+138 55.97 199 L+137 55.53 198 L+136 55.24 197 L+135 54.94 196 L+134 54.73 195 L+133 54.3 194 L+132 53.85 193 L+131 53.24 192 L+130 53.03 191 L+129 52.77 190 L+128 52.57 189 L+127 51.94 188 L+126 51.75 187 L+125 51.26 186 L+124 51.23 185 L+123 50.71 184 L+122 50.51 183 L+121 50.38 182 L+120 50.06 181 L+119 49.91 180 L+118 49.64 179 L+117 49.36 178 L+116 49.08 177 L+115 48.78 176 L+114 48.53 175 L+113 48.31 174 L+112 47.83 173 L+111 47.3 172 L+110 46.9 171 L+109 46.78 170 L+108 45.68 169 L+107 45.42 168 L+106 45.21 167 L+105 44.97 166 L+104 44.45 165 L+103 43.95 164 L+102 43.78 163 L+101 42.7 162 L+100 42.23 161 L+99 41.04 160 L+98 40.02 159 L+97 39.28 158 L+96 38.79 157 L+95 37.54 156 L+94 36.09 155 L+93 35.69 154 L+92 35.29 153 L+91 34.5 152 L+90 33.57 151 L+89 32.98 150 L+88 32.68 149 L+87 32.44 148 L+86 31.77 147 L+85 31.22 146 L+84 30.77 145 L+83 30.39 144 L+82 30.1 143 L+81 29.53 142 L+80 29.16 141 L+79 28.9 140 L+78 28.81 139 L+77 28.33 138 L+76 27.81 137 L+75 27.63 136 L+74 27.04 135 L+73 26.53 134 L+72 26.2 133 L+71 25.98 132 L+70 25.66 131 L+69 25.44 130 L+68 25.07 129 L+67 24.46 128 L+66 24.37 127 L+65 24.22 126 L+64 24.03 125 L+63 23.67 124 L+62 23.6 123 L+61 23.25 122 L+60 23.13 121 L+59 23.08 120 L+58 22.98 119 L+57 22.42 118 L+56 22.2 117 L+55 21.75 116 L+54 21.45 115 L+53 21.33 114 L+52 20.91 113 L+51 20.24 112 L+50 19.96 111 L+49 19.84 110 L+48 19.63 109 L+47 18.76 108 L+46 18.69 107 L+45 18.53 106 L+44 18.06 105 L+43 17.67 104 L+42 17.2 103 L+41 16.98 102 L+40 16.53 101 L+39 16.1 100 L+38 15.74 99 L+37 15.01 98 L+36 14.76 97 L+35 14.45 96 L+34 14.06 95 L+33 13.59 94 L+32 13.04 93 L+31 12.67 92 L+30 12.41 91 L+29 11.52 90 L+28 10.88 89 L+27 10.71 88 L+26 9.8 87 L+25 9.31 86 L+24 8.87 85 L+23 8.04 84 L+22 7.42 83 L+21 7.2 82 L+20 6.65 81 L+19 6.36 80 L+18 6.03 79 L+17 5.73 78 L+16 5.52 77 L+15 5.32 76 L+14 5.02 75 L+13 4.83 74 L+12 4.48 73 L+11 4.34 72 L+10 4.23 71 L+9 3.77 70 L+8 3.6 69 L+7 3.27 68 L+6 2.56 67 L+5 2.32 66 L+4 1.98 65 L+3 1.7 64 L+2 1.45 63 L+1 1.05 62 LUMO 0.13 61 HOMO -5.59 60 H-1 -5.7 59 H-2 -6.1 58 H-3 -7.09 57 H-4 -7.44 56 H-5 -8.05 55 H-6 -8.32 54 H-7 -8.71 53 H-8 -9.1 52 H-9 -9.18 51 H-10 -9.68 50 H-11 -9.88 49 H-12 -10.09 48 H-13 -10.13 47 H-14 -10.57 46 H-15 -10.78 45 H-16 -10.82 44 H-17 -10.89 43 H-18 -11.07 42 H-19 -11.34 41 H-20 -11.77 40 H-21 -12.18 39 H-22 -12.31 38 H-23 -12.9 37 H-24 -13.19 36 H-25 -13.23 35 H-26 -13.65 34 H-27 -14.31 33 H-28 -14.92 32 H-29 -15.37 31 H-30 -17.1 30 H-31 -18.47 29 H-32 -18.96 28 H-33 -19.82 27 H-34 -21.15 26 H-35 -22.8 25 H-36 -24.78 24 H-37 -26.62 23 H-38 -27.14 22 H-39 -27.21 21 H-40 -28.69 20 H-41 -29.91 19 H-42 -165.42 18 H-43 -165.45 17 H-44 -165.48 16 H-45 -220.87 15 H-46 -277.09 14 H-47 -277.14 13 H-48 -277.94 12 H-49 -278.26 11 H-50 -278.71 10 H-51 -278.94 9 H-52 -279.29 8 H-53 -280.34 7 H-54 -391.08 6 H-55 -518.71 5 H-56 -518.77 4 H-57 -520.85 3 H-58 -521.07 2 H-59 -521.13 1 H-60 -2424.12