%chk=000044167.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044167

0 1
 O    1.186600      -2.285700      0.2348000    
 O    4.162100       2.664200      0.5931000    
 O   -5.745800      0.8704000     -7.5800002E-02
 O   -4.226000       2.523700     -0.3610000    
 N   0.1731000     -0.1845000     -5.8800001E-02
 N    4.001600       1.448400      0.2490000    
 C   -1.190300     -0.4716000      1.6100001E-02
 C    2.598600     -0.4582000     -4.4500001E-02
 C   -2.127500      0.5530000     -0.1151000    
 C    1.249300      -1.074900      5.0600000E-02
 C   -3.490400      0.2657000     -3.8300000E-02
 C   -1.615800      -1.783600      0.2241000    
 C    2.756600      0.8552000      0.3292000    
 C    3.651200      -1.213800     -0.5021000    
 C   -3.915900      -1.046400      0.1696000    
 C   -2.978700      -2.071000      0.3008000    
 C    4.908800     -0.6266000     -0.5867000    
 C    5.070500      0.7023000     -0.2089000    
 C   -4.467900       1.333300     -0.1758000    
 H   0.3769000      0.7924000     -0.2501000    
 H   -1.790700       1.574800     -0.2767000    
 H  -0.9539000      -2.630600      0.3353000    
 H    1.997100       1.509800      0.7291000    
 H    3.530000      -2.249700     -0.8039000    
 H   -4.966100      -1.316200      0.2359000    
 H   -3.310700      -3.092600      0.4627000    
 H    5.758200      -1.198900     -0.9460000    
 H    6.012900       1.228900     -0.2456000    
 H   -6.403300       1.592600     -0.1691000    


%chk=000044167-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044167

0 1
O 1.177106 -2.367902 0.136266
O 4.234265 2.753958 0.692436
O -5.811640 0.997742 -0.103381
O -4.118303 2.550938 -0.436358
N 0.161021 -0.256847 -0.066280
N 4.066159 1.498931 0.283796
C -1.220972 -0.588506 0.031084
C 2.608140 -0.428237 -0.069268
C -2.151875 0.466218 -0.126223
C 1.261460 -1.108028 0.017940
C -3.539452 0.211400 -0.036071
C -1.688429 -1.909536 0.278965
C 2.808010 0.897408 0.354411
C 3.703849 -1.186205 -0.555535
C -4.011580 -1.102310 0.214161
C -3.077091 -2.146586 0.368788
C 4.970350 -0.566442 -0.624783
C 5.141674 0.760466 -0.212614
C -4.462350 1.364905 -0.211534
H 0.357526 0.725570 -0.273406
H -1.825390 1.496045 -0.318226
H -0.967305 -2.720831 0.390206
H 2.052016 1.541243 0.808387
H 3.543875 -2.225592 -0.850611
H -5.086825 -1.284553 0.281751
H -3.428230 -3.165733 0.560878
H 5.842541 -1.109352 -0.999315
H 6.086515 1.304534 -0.233465
H -6.374567 1.807700 -0.230099


