%chk=000116096.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000116096 0 1 O 2.781300 -0.4231000 -3.3399999E-02 O 2.433500 1.818200 0.2534000 N -2.148100 -9.0899996E-02 -0.2011000 N 0.6613000 0.4289000 -0.3191000 C -1.182300 -1.163600 8.1000000E-02 C -1.613200 1.209800 0.2292000 C -3.425100 -0.3638000 0.4570000 C 0.1456000 -0.9055000 -0.6325000 C -0.2975000 1.518000 -0.4848000 C -3.986400 -1.700500 -1.0100000E-02 C -4.411400 0.7690000 0.2008000 C 1.996600 0.6994000 -1.0300000E-02 C 4.167600 -0.2305000 0.2707000 C 4.878000 -1.565400 0.1992000 H -1.528900 -2.134200 -0.2860000 H -1.006800 -1.254200 1.161300 H -1.455800 1.226200 1.315800 H -2.283100 2.035600 -2.7899999E-02 H -3.286300 -0.4310000 1.545400 H 0.8656000 -1.681300 -0.3561000 H 1.4300000E-02 -0.9517000 -1.720500 H -0.4631000 1.640700 -1.562300 H 0.1204000 2.457900 -0.1096000 H -3.447300 -2.554600 0.4118000 H -3.981500 -1.784600 -1.102900 H -5.026800 -1.815300 0.3166000 H -4.466100 1.029500 -0.8625000 H -5.421300 0.4754000 0.5114000 H -4.175900 1.670600 0.7752000 H 4.607400 0.4621000 -0.4554000 H 4.265200 0.1871000 1.278900 H 5.941900 -1.455100 0.4267000 H 4.436600 -2.275100 0.9066000 H 4.773200 -2.004600 -0.7984000 %chk=000116096-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000116096 0 1 O 2.778590 -0.449899 -0.052336 O 2.460462 1.869364 0.190674 N -2.137877 -0.082367 -0.169693 N 0.694200 0.454601 -0.436950 C -1.125617 -1.154485 0.040694 C -1.556603 1.224899 0.248980 C -3.448306 -0.381749 0.503173 C 0.158364 -0.877875 -0.766545 C -0.284678 1.549018 -0.555992 C -4.037441 -1.719028 -0.004681 C -4.473003 0.749255 0.252223 C 1.996944 0.726439 -0.082112 C 4.202551 -0.236478 0.326128 C 4.872549 -1.607212 0.293027 H -1.536164 -2.117975 -0.302496 H -0.860889 -1.257503 1.125245 H -1.310367 1.231130 1.342404 H -2.287766 2.027420 0.059792 H -3.292215 -0.468853 1.612271 H 0.922468 -1.638312 -0.550336 H -0.086982 -0.913283 -1.848052 H -0.557687 1.681000 -1.622828 H 0.185375 2.476218 -0.190650 H -3.447085 -2.597718 0.307262 H -4.096531 -1.709166 -1.108547 H -5.057040 -1.853866 0.398362 H -4.559494 0.947755 -0.831943 H -5.464342 0.442122 0.630272 H -4.209106 1.691526 0.762358 H 4.657176 0.471535 -0.390342 H 4.237248 0.225057 1.329764 H 5.938648 -1.508722 0.568246 H 4.392260 -2.298753 1.006711 H 4.813958 -2.050695 -0.715982