%chk=000170693.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170693

0 1
 O   0.5206000       2.253900     -0.5975000    
 O   0.1656000      -2.446900     -0.4563000    
 O   -3.358500      0.2221000      0.7786000    
 N   -1.438500       1.231000      1.7300000E-02
 N   -1.616200      -1.107200      8.5299999E-02
 C    1.828300     -0.2228000     -0.9773000    
 C   0.3064000     -0.1093000      -1.046100    
 C    2.397200     -2.1199999E-02  0.4379000    
 C    2.003300       1.329500       1.037300    
 C    1.923000      -1.151700       1.354300    
 C  -0.1574000       1.230800     -0.5108000    
 C  -0.3514000      -1.330500     -0.4348000    
 C   -2.222500      0.1223000      0.3120000    
 H    2.164300      -1.189300      -1.373900    
 H    2.272200      0.5376000      -1.634200    
 H   1.1700000E-02 -0.1234000      -2.105000    
 H    3.491400     -6.8899997E-02  0.3698000    
 H    1.001000       1.397400       1.464700    
 H    2.345000       2.176800      0.4368000    
 H    2.621700       1.439700       1.943500    
 H   0.8816000      -1.057100       1.669100    
 H    2.506400      -1.115400       2.283600    
 H    2.116900      -2.137400      0.9222000    
 H   -1.822200       2.135800      0.2755000    
 H   -2.130800      -1.927300      0.3939000    


%chk=000170693-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170693

0 1
O 0.138922 2.327784 -1.358397
O -0.081294 -2.512651 -0.911937
O -3.098091 0.272422 1.275829
N -1.434236 1.266362 -0.032114
N -1.540660 -1.089422 0.186048
C 1.853291 -0.153849 -0.914271
C 0.305853 -0.110219 -1.192066
C 2.370277 -0.041830 0.548131
C 2.053750 1.314063 1.224948
C 1.947229 -1.222741 1.454869
C -0.305821 1.255274 -0.876960
C -0.424157 -1.334660 -0.639075
C -2.094244 0.157952 0.530737
H 2.210248 -1.108024 -1.346083
H 2.289087 0.669317 -1.510757
H 0.231370 -0.208297 -2.294866
H 3.475082 -0.098006 0.439568
H 0.980500 1.404087 1.477440
H 2.321301 2.166972 0.576235
H 2.617515 1.407539 2.171565
H 0.869579 -1.182935 1.701735
H 2.499364 -1.185149 2.412125
H 2.149119 -2.197941 0.977005
H -1.845306 2.180836 0.183451
H -2.029576 -1.908385 0.562740


