%chk=000052014.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000052014 1 1 O 0.1682000 2.0800000E-02 0.9107000 O 1.411100 2.003800 0.4193000 N -3.398600 -1.6100001E-02 -0.1858000 N 2.223500 -2.714000 6.4900003E-02 N 4.575700 0.9947000 -0.7320000 C -2.194100 -0.3405000 0.6860000 C -3.132800 -0.4789000 -1.611200 C -4.626400 -0.7314000 0.3591000 C -3.641300 1.486300 -0.1775000 C -0.9676000 0.3490000 0.1216000 C 1.326500 0.6204000 0.4325000 C 2.376300 -0.1300000 4.2100001E-02 C 2.290300 -1.555500 5.5199999E-02 C 3.589100 0.4915000 -0.3849000 H -2.406000 -8.5000005E-03 1.709500 H -2.064600 -1.429400 0.7049000 H -2.765100 -1.509000 -1.585300 H -4.079100 -0.4369000 -2.160500 H -2.421400 0.1899000 -2.101900 H -4.798500 -0.3888000 1.383800 H -5.484900 -0.4870000 -0.2736000 H -4.434500 -1.808300 0.3414000 H -3.652100 1.835600 0.8592000 H -2.874300 1.998300 -0.7634000 H -4.614800 1.672700 -0.6427000 H -0.7516000 2.4700001E-02 -0.9007000 H -1.092600 1.434800 0.1320000 H 0.6448000 2.331000 0.9203000 %chk=000052014-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000052014 1 1 O 0.123545 1.418146 0.890918 O 2.334495 1.673388 1.366083 N -3.233133 -0.081660 -0.252932 N 0.005150 -1.896517 -0.873826 N 4.362391 -0.808589 -0.228149 C -1.966804 0.230576 0.574757 C -2.876821 -0.590776 -1.656780 C -3.990519 -1.192729 0.486146 C -4.134149 1.148810 -0.359467 C -0.970206 1.202257 -0.093141 C 1.411565 0.922494 0.718147 C 1.812766 -0.227480 0.038859 C 0.852032 -1.149862 -0.473250 C 3.205925 -0.536733 -0.097588 H -2.308883 0.655679 1.533760 H -1.474062 -0.735199 0.763495 H -2.117439 -1.385111 -1.571206 H -3.794350 -0.977783 -2.125510 H -2.485121 0.242186 -2.259879 H -4.189817 -0.870136 1.519555 H -4.939886 -1.384423 -0.036372 H -3.373028 -2.103603 0.485929 H -4.411251 1.483366 0.652136 H -3.605111 1.952788 -0.891667 H -5.039639 0.876529 -0.922786 H -0.560588 0.822080 -1.042157 H -1.397707 2.206797 -0.244196 H 1.965845 2.524703 1.722118