%chk=000178688.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178688

0 1
 O   0.6974000       3.114100     -7.8800000E-02
 O   -2.369800     -0.3446000       1.244300    
 O    2.553900      -2.366000      0.8743000    
 O    4.433700      -2.125900      -1.713300    
 N    3.437300     -0.2686000      0.2370000    
 C    2.915700       1.074700      1.5100000E-02
 C    1.464500      0.8942000      0.3035000    
 C    1.198100     -0.4297000      0.6557000    
 C    2.458000      -1.180500      0.6154000    
 C   0.4428000       1.824200      0.2619000    
 C    4.842200     -0.5696000      6.7000002E-02
 C  -0.8506000       1.397500      0.5811000    
 C  -6.9200002E-02 -0.8766000      0.9752000    
 C   -1.103900      5.9000000E-02  0.9345000    
 C    5.160600     -0.9544000      -1.366300    
 C   -1.980600       2.378300      0.5481000    
 C   -2.937000      -1.371200      0.4344000    
 C   0.6129000       3.451700      -1.463800    
 C   -4.419600      -1.182900      0.3562000    
 C   -5.170800     -0.9398000     -0.7345000    
 C   -6.662500     -0.7737000     -0.6083000    
 C   -4.652900     -0.8105000      -2.138900    
 H    3.097200       1.364400      -1.023100    
 H    3.389900       1.766200      0.7172000    
 H    5.081500      -1.409600      0.7291000    
 H    5.430100      0.2983000      0.3822000    
 H  -0.2456000      -1.909800       1.252600    
 H    6.228700      -1.158700      -1.488300    
 H    4.878300     -0.1614000      -2.065400    
 H   -2.721300       2.160200       1.325100    
 H   -1.642500       3.402800      0.7347000    
 H   -2.476000       2.344700     -0.4273000    
 H   -2.467700      -1.393900     -0.5534000    
 H   -2.735700      -2.336800      0.9132000    
 H  -0.3931000       3.259100      -1.849000    
 H    1.349700       2.887500      -2.043500    
 H   0.8287000       4.518500      -1.568600    
 H    4.708300      -2.833100      -1.105100    
 H   -4.926000      -1.253500       1.318300    
 H   -7.179700      -1.528600      -1.209600    
 H   -7.009100     -0.8786000      0.4252000    
 H   -6.964300      0.2183000     -0.9601000    
 H   -5.075000      -1.600900      -2.768400    
 H   -4.948600      0.1570000      -2.559000    
 H   -3.566300     -0.8727000      -2.217300    


%chk=000178688-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178688

0 1
O 1.109126 3.503956 0.542564
O -2.519953 0.295851 0.172002
O 2.388256 -2.322640 -0.293676
O 4.941204 -3.048578 -0.807189
N 3.483463 -0.221817 -0.041430
C 3.114772 1.199799 0.172480
C 1.601938 1.151024 0.176990
C 1.174717 -0.180637 0.013874
C 2.370087 -1.057168 -0.125012
C 0.649368 2.176246 0.328521
C 4.893487 -0.665083 -0.015787
C -0.736256 1.867019 0.342056
C -0.184326 -0.539102 -0.006404
C -1.131808 0.499196 0.161764
C 5.283169 -1.674332 -1.128002
C -1.787975 2.927498 0.581706
C -3.007041 -1.110820 0.059700
C 1.001368 4.387128 -0.635890
C -4.497989 -1.086307 0.226181
C -5.432390 -1.468796 -0.692121
C -6.912240 -1.413145 -0.351949
C -5.124834 -1.978628 -2.088730
H 3.525642 1.836339 -0.636549
H 3.521079 1.576698 1.132050
H 5.129525 -1.134256 0.961335
H 5.511840 0.246928 -0.113769
H -0.461581 -1.586656 -0.145291
H 6.383152 -1.661792 -1.229943
H 4.838385 -1.341060 -2.092425
H -2.562081 2.546747 1.269290
H -1.333791 3.835095 1.011339
H -2.314455 3.197846 -0.353965
H -2.690423 -1.525975 -0.915378
H -2.528075 -1.703227 0.867243
H -0.048778 4.490798 -0.968309
H 1.612447 4.000399 -1.474934
H 1.387588 5.364843 -0.309541
H 3.949644 -3.063224 -0.619597
H -4.841771 -0.722657 1.204206
H -7.380807 -2.412124 -0.452893
H -7.086961 -1.054035 0.676484
H -7.448928 -0.740356 -1.049604
H -5.429827 -3.038666 -2.192979
H -5.706435 -1.407896 -2.838362
H -4.059830 -1.905330 -2.360757


