%chk=000075275.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000075275

0 1
 O    1.446000      0.8598000     -0.3541000    
 O   -1.873100      0.3301000      0.4272000    
 O    2.540100       2.379700      0.9846000    
 O   -3.409500      0.5371000      -1.274600    
 N    2.577700       2.563700      -1.307000    
 N   -3.649100       1.692500      0.6988000    
 C   0.1463000      -1.077900      0.3994000    
 C   0.9583000      -2.056700     -0.5353000    
 C    1.006200      0.1534000      0.7987000    
 C   -1.118800     -0.5856000     -0.3601000    
 C  -0.3006000      -1.765000       1.708300    
 C   0.1725000      -3.304800     -0.9678000    
 C    2.298500      -2.519200      5.7500001E-02
 C    2.215100       1.968400     -0.1241000    
 C   -3.009600      0.8245000     -0.1515000    
 H    1.199200      -1.509700      -1.457500    
 H    1.874100     -0.1558000       1.392800    
 H   0.4181000      0.8366000       1.425200    
 H   -1.773300      -1.431800     -0.5948000    
 H  -0.8311000     -0.1001000      -1.300900    
 H  -0.8263000      -1.064500       2.367500    
 H  -0.9850000      -2.597100       1.515400    
 H   0.5523000      -2.152300       2.274100    
 H   0.7816000      -3.926700      -1.634200    
 H  -0.7313000      -3.048100      -1.526000    
 H  -0.1096000      -3.926000     -0.1126000    
 H    2.162400      -3.079600      0.9870000    
 H    2.968200      -1.677400      0.2530000    
 H    2.822100      -3.176200     -0.6466000    
 H    2.283400       2.184800      -2.200900    
 H    3.150900       3.400500      -1.323600    
 H   -3.278000       1.898600       1.620200    
 H   -4.511900       2.154300      0.4320000    


%chk=000075275-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000075275

0 1
O 1.474399 0.797655 -0.204106
O -1.489855 0.419863 0.440856
O 0.496271 2.719227 0.789840
O -3.316795 0.709819 -1.027513
N 1.513904 2.768515 -1.317704
N -2.520342 2.425162 0.388112
C 0.247177 -1.274029 0.485754
C 1.088123 -2.209678 -0.464705
C 1.093561 -0.057680 0.952363
C -0.990936 -0.757572 -0.295114
C -0.225533 -1.996451 1.776643
C 0.229905 -3.286031 -1.179823
C 2.275590 -2.899528 0.251544
C 1.101723 2.150766 -0.157301
C -2.532303 1.161615 -0.155424
H 1.509480 -1.542910 -1.246540
H 2.042716 -0.388700 1.406449
H 0.527924 0.561131 1.667034
H -1.787085 -1.519652 -0.354390
H -0.718753 -0.445683 -1.321649
H -0.950636 -1.365675 2.321076
H -0.721521 -2.953550 1.535984
H 0.617369 -2.215583 2.456819
H 0.873611 -3.908836 -1.828222
H -0.554020 -2.845523 -1.820524
H -0.261000 -3.963894 -0.455998
H 1.924840 -3.631383 1.002671
H 2.943936 -2.181330 0.759397
H 2.887438 -3.450853 -0.486073
H 2.002149 2.241075 -2.037349
H 1.324064 3.759163 -1.437500
H -1.692774 2.728923 0.909751
H -3.246828 3.081126 0.115745


