%chk=000105630.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000105630 1 1 O 0.2453000 -1.164800 7.9000004E-02 N 1.213400 0.8767000 -0.1421000 N -3.594700 0.8334000 -0.1054000 C 2.221500 -6.2399998E-02 -5.7799999E-02 C 3.622800 6.3699998E-02 -8.6999997E-02 C 1.621500 -1.316100 7.8100003E-02 C 9.7599998E-02 0.1883000 -5.7700001E-02 C 1.306500 2.300400 -0.2891000 C 4.383300 -1.130400 2.6699999E-02 C 2.336800 -2.499700 0.1913000 C 3.734200 -2.377300 0.1624000 C 4.256300 1.313400 -0.2225000 C 5.782400 -1.027300 3.9999999E-04 C 1.356000 2.946900 1.080800 C -1.174700 0.8041000 -0.1049000 C 5.647700 1.381100 -0.2450000 C 6.407000 0.2166000 -0.1341000 C -2.399200 0.1832000 -4.7499999E-02 C -4.885500 0.2895000 -6.3500002E-02 C -6.006800 1.123900 -0.1360000 C -5.065800 -1.093500 5.1700000E-02 C -7.291500 0.5824000 -9.3400002E-02 C -6.350600 -1.635000 9.4099998E-02 C -7.463500 -0.7969000 2.1400001E-02 H 2.114100 2.593700 -0.9556000 H 0.4433000 2.693500 -0.8360000 H 1.850200 -3.461600 0.2958000 H 4.327100 -3.287400 0.2491000 H 3.764300 2.267200 -0.2500000 H 6.403300 -1.916900 8.5400000E-02 H 0.4548000 2.724500 1.661000 H 1.433800 4.034200 0.9833000 H 2.215200 2.595400 1.660300 H -1.232100 1.886200 -0.1701000 H 6.144300 2.343200 -0.3344000 H 7.491800 0.2760000 -0.1488000 H -2.429600 -0.8955000 3.4499999E-02 H -3.546300 1.843600 -0.1902000 H -5.888700 2.201000 -0.2257000 H -4.240500 -1.794400 0.1127000 H -8.158100 1.234700 -0.1499000 H -6.485700 -2.709000 0.1836000 H -8.463800 -1.218700 5.4400001E-02 %chk=000105630-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000105630 1 1 O 0.110702 -0.832667 0.001787 N 1.210515 1.131351 -0.167208 N -3.735708 0.872091 -0.103459 C 2.210815 0.111100 -0.077417 C 3.647523 0.124927 -0.076518 C 1.509628 -1.101567 0.013479 C -0.034888 0.547523 -0.101600 C 1.424787 2.597010 -0.281191 C 4.275919 -1.189952 0.001180 C 2.096840 -2.377629 0.095381 C 3.493218 -2.396011 0.083257 C 4.487264 1.284340 -0.134444 C 5.706124 -1.273538 0.000690 C 1.674037 3.268011 1.083470 C -1.314969 1.143355 -0.124434 C 5.879695 1.159172 -0.132015 C 6.497313 -0.125827 -0.068040 C -2.477111 0.366134 -0.082189 C -4.972234 0.149922 -0.051087 C -6.166787 0.902113 -0.184057 C -5.028553 -1.254941 0.130526 C -7.415773 0.250524 -0.140173 C -6.284513 -1.894264 0.169964 C -7.480817 -1.150647 0.035296 H 2.264287 2.757802 -0.975994 H 0.535126 3.026367 -0.771683 H 1.492685 -3.284455 0.161388 H 4.020622 -3.353458 0.140807 H 4.058053 2.287321 -0.172939 H 6.173316 -2.262685 0.058048 H 0.810614 3.136849 1.758286 H 1.833604 4.350623 0.938539 H 2.565467 2.854956 1.584793 H -1.375485 2.234189 -0.167879 H 6.504117 2.057142 -0.176081 H 7.588475 -0.205673 -0.067914 H -2.388494 -0.722029 -0.031985 H -3.838340 1.890752 -0.171008 H -6.123403 1.989774 -0.324593 H -4.123022 -1.857841 0.249412 H -8.334506 0.835881 -0.243832 H -6.328851 -2.978831 0.311243 H -8.449893 -1.657313 0.069496