%chk=000250282.chk %nprocshared=4 %mem=3GB #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm 000250282 0 1 N 3.866299 -1.219743 2.423931 C 0.947330 4.374588 -0.730993 C 1.893217 3.225702 -1.162083 C -0.259116 3.944771 0.142768 C 2.491754 2.405693 0.003655 C -1.153971 2.857738 -0.491940 C 3.439777 1.290791 -0.496257 C -2.374398 2.488547 0.381972 C 4.065855 0.416583 0.613341 C -3.197357 1.312375 -0.188175 C 3.077545 -0.494965 1.403119 C -4.417440 0.933954 0.682344 C -5.200829 -0.282939 0.143751 C 2.372692 -1.498169 0.488316 C -6.414027 -0.667931 1.022104 C 1.026297 -1.307410 0.097235 C 3.070122 -2.623487 -0.023415 C -7.169686 -1.907743 0.500090 C 0.392475 -2.209383 -0.789643 C 2.436830 -3.521303 -0.906871 C 1.086997 -3.329980 -1.309685 C 0.414366 -4.301954 -2.265258 H 1.532374 5.133389 -0.171196 H 0.569897 4.880825 -1.644120 H 1.352777 2.534159 -1.839094 H 2.720121 3.655531 -1.765502 H -0.878420 4.840583 0.355994 H 0.101283 3.582679 1.128377 H 3.041447 3.081497 0.692344 H 1.669394 1.958156 0.596605 H -1.500449 3.196427 -1.491586 H -0.553432 1.942413 -0.669528 H 2.890357 0.640332 -1.205474 H 4.261847 1.756728 -1.078082 H -2.024774 2.222823 1.402759 H -3.029557 3.376998 0.500866 H 4.582530 1.075400 1.345418 H 4.837708 -0.249062 0.181397 H -3.540439 1.563863 -1.214134 H -2.535198 0.426408 -0.292972 H 2.290586 0.157758 1.852350 H -5.099529 1.806449 0.760431 H -4.074860 0.714826 1.716191 H -4.515406 -1.152910 0.066498 H -5.548152 -0.070442 -0.889771 H -7.108996 0.194470 1.083505 H -6.065426 -0.858611 2.058590 H 4.495036 -0.619275 2.965994 H 3.309326 -1.840968 3.017895 H 0.464035 -0.450923 0.493330 H 4.105305 -2.783937 0.298757 H -6.499615 -2.787452 0.456244 H -7.560558 -1.735097 -0.521297 H -8.026153 -2.165058 1.150459 H -0.653894 -2.043680 -1.075833 H 2.992724 -4.385844 -1.292974 H 0.931484 -4.325838 -3.243647 H 0.427145 -5.334113 -1.866384 H -0.638452 -4.024538 -2.448917 %chk=000250282-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000250282 0 1 N 3.797062 -1.215171 2.470842 C 0.921064 4.323494 -0.781827 C 1.873971 3.169686 -1.185008 C -0.275112 3.907491 0.113274 C 2.494832 2.401628 0.003837 C -1.170050 2.797347 -0.485917 C 3.467873 1.293399 -0.463105 C -2.392997 2.463134 0.397896 C 4.067034 0.429533 0.669520 C -3.230332 1.278834 -0.136790 C 3.053986 -0.496637 1.409845 C -4.454604 0.945065 0.745075 C -5.275610 -0.257370 0.226193 C 2.406042 -1.501940 0.455214 C -6.501242 -0.588303 1.108145 C 1.090602 -1.307815 -0.027945 C 3.130141 -2.633399 -0.001033 C -7.312790 -1.793462 0.585087 C 0.515334 -2.210277 -0.953453 C 2.555117 -3.532479 -0.921804 C 1.238354 -3.335728 -1.419931 C 0.630709 -4.306970 -2.418755 H 1.504868 5.104665 -0.251876 H 0.529410 4.798948 -1.704891 H 1.333772 2.448681 -1.831789 H 2.691536 3.585177 -1.810043 H -0.898803 4.804121 0.310011 H 0.097296 3.573698 1.103398 H 3.030102 3.111226 0.669787 H 1.684602 1.955366 0.612775 H -1.515424 3.104987 -1.495283 H -0.572976 1.873651 -0.632524 H 2.946061 0.634444 -1.185348 H 4.300296 1.767432 -1.022787 H -2.046330 2.228482 1.426703 H -3.039146 3.361448 0.487291 H 4.544345 1.093720 1.423241 H 4.866199 -0.221050 0.264648 H -3.571599 1.505092 -1.168764 H -2.581092 0.380384 -0.215458 H 2.239403 0.147780 1.820821 H -5.112270 1.837182 0.810929 H -4.112831 0.734825 1.780413 H -4.619170 -1.150769 0.164144 H -5.616687 -0.050450 -0.810060 H -7.157736 0.303829 1.168129 H -6.159443 -0.792379 2.143560 H 4.368684 -0.603896 3.062611 H 3.222896 -1.864461 3.017859 H 0.507126 -0.445854 0.322919 H 4.138512 -2.798586 0.394181 H -6.686152 -2.704539 0.543532 H -7.692160 -1.602072 -0.436663 H -8.182051 -2.010668 1.232976 H -0.506454 -2.039276 -1.314855 H 3.131672 -4.402040 -1.263400 H 1.218565 -4.339761 -3.355805 H 0.605306 -5.337305 -2.016459 H -0.402914 -4.022391 -2.681487