%chk=000044430.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044430

0 1
 O  -7.2499998E-02   2.012300      -1.079800    
 N   -3.119700      -1.073300     -1.6000001E-02
 N   -1.467100       1.202000      0.5910000    
 C   -3.025100      7.5800002E-02 -0.9157000    
 C   -2.703600       1.338100     -0.1294000    
 C   0.8987000       1.313400       1.025800    
 C  -0.2356000       1.555300      4.8599999E-02
 C    1.931000      0.3442000      0.5137000    
 C   -3.391000      -2.294500     -0.7735000    
 C   -4.160300     -0.8525000      0.9874000    
 C    1.782500      -1.011500      0.7711000    
 C    3.016400      0.8202000     -0.2082000    
 C    2.739100      -1.909400      0.2971000    
 C    3.972800     -7.7699997E-02 -0.6825000    
 C    3.834200      -1.442400     -0.4297000    
 H   -3.956100      0.2232000      -1.477900    
 H   -2.226800     -9.9900000E-02  -1.648300    
 H   -3.487200       1.629000      0.5759000    
 H   -2.605300       2.172300     -0.8345000    
 H   -1.512700      0.8192000       1.530500    
 H   0.5235000      0.9661000       1.996300    
 H    1.364200       2.286200       1.230800    
 H   -3.407300      -3.165400     -0.1087000    
 H   -2.597300      -2.477400      -1.506600    
 H   -4.348300      -2.248000      -1.305400    
 H   -4.331700      -1.769800       1.564300    
 H   -5.118100     -0.5603000      0.5412000    
 H   -3.867000     -0.1065000       1.732000    
 H   0.9316000      -1.385100       1.334000    
 H    3.133100       1.880800     -0.4119000    
 H    2.630700      -2.972200      0.4931000    
 H    4.825300      0.2858000      -1.248900    
 H    4.578800      -2.141400     -0.7992000    


%chk=000044430-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044430

0 1
O 0.039677 2.651340 -0.146092
N -3.442347 -0.977496 0.047814
N -1.316684 0.818813 0.309696
C -3.094432 -0.093826 -1.098217
C -2.384905 1.191735 -0.623273
C 0.867259 0.964115 1.446405
C -0.170052 1.561384 0.476532
C 1.991188 0.239305 0.706563
C -3.693333 -2.374216 -0.372101
C -4.550462 -0.444120 0.873165
C 2.265566 -1.126932 0.965616
C 2.779490 0.926964 -0.253615
C 3.308372 -1.796916 0.283743
C 3.818323 0.257870 -0.936871
C 4.088768 -1.105670 -0.670402
H -3.990041 0.182339 -1.707418
H -2.404509 -0.658180 -1.752413
H -3.100371 1.889318 -0.142094
H -1.941585 1.733867 -1.477048
H -1.479623 -0.067886 0.803010
H 0.384463 0.278116 2.166182
H 1.280406 1.815481 2.017662
H -3.859312 -3.004860 0.519562
H -2.812290 -2.765893 -0.910037
H -4.584614 -2.480494 -1.038502
H -4.709339 -1.102782 1.745066
H -5.513616 -0.371380 0.310218
H -4.297107 0.560912 1.251166
H 1.665232 -1.668524 1.707800
H 2.557783 1.978712 -0.467834
H 3.510548 -2.852677 0.498390
H 4.418598 0.799864 -1.676731
H 4.898153 -1.621681 -1.199341


