%chk=000161366.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161366

0 1
 O   0.9790000      0.4568000       2.038900    
 O    2.527200       1.732000      -2.093600    
 O    4.225200      0.9762000      0.8986000    
 N   0.6412000      0.5493000      -1.414400    
 N    2.039300       1.287000      0.1473000    
 C   1.9999999E-04  8.5299999E-02 -0.1865000    
 C    1.041600      0.6196000      0.8249000    
 C  -5.6699999E-02  -1.442800     -6.9499999E-02
 C   -1.376700      0.7503000     -9.0700001E-02
 C    1.826800       1.252100      -1.211800    
 C  -0.5745000      -2.039100       1.082600    
 C   -2.372800      0.4367000      -1.018300    
 C   0.4085000      -2.244200      -1.114800    
 C   -1.641300       1.672200      0.9249000    
 C    3.173800       1.916700      0.7930000    
 C  -0.6265000      -3.428900       1.189200    
 C   -3.626600       1.041900     -0.9311000    
 C   0.3563000      -3.634000      -1.008400    
 C   -2.895100       2.277200       1.012100    
 C  -0.1612000      -4.226400      0.1437000    
 C   -3.887700       1.962100      8.3999999E-02
 H   0.2554000      0.3921000      -2.340900    
 H  -0.9481000      -1.437300       1.906500    
 H   -2.187400     -0.2762000      -1.817400    
 H   0.8182000      -1.826300      -2.029100    
 H  -0.9038000       1.962200       1.664200    
 H    2.892100       2.250100       1.795900    
 H    3.514900       2.762600      0.1892000    
 H   -1.030800      -3.890200       2.085400    
 H   -4.399300      0.7971000      -1.654000    
 H   0.7182000      -4.255500      -1.822200    
 H   -3.098500       2.995800       1.800700    
 H  -0.2021000      -5.308600      0.2264000    
 H   -4.863600       2.433800      0.1515000    
 H    4.969900       1.426500       1.332000    


%chk=000161366-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161366

0 1
O 1.088575 0.470409 2.033393
O 2.491519 1.923691 -2.210394
O 4.062615 0.787352 1.319625
N 0.590505 0.672701 -1.501387
N 2.058670 1.325555 0.068934
C 0.006979 0.153268 -0.239615
C 1.074914 0.655587 0.788984
C -0.007083 -1.390937 -0.183693
C -1.386274 0.774842 -0.004025
C 1.782264 1.361808 -1.345116
C -0.659540 -2.035307 0.898181
C -2.505660 0.219034 -0.675557
C 0.672450 -2.170112 -1.149148
C -1.564563 1.935127 0.787514
C 3.289928 1.840014 0.696443
C -0.644493 -3.441901 0.999977
C -3.777306 0.821272 -0.568360
C 0.681023 -3.580502 -1.048576
C -2.839493 2.533453 0.900819
C 0.021797 -4.220808 0.024187
C -3.948556 1.982758 0.220280
H 0.090127 0.666342 -2.388635
H -1.167539 -1.434549 1.659796
H -2.384537 -0.695523 -1.268117
H 1.199650 -1.677027 -1.972489
H -0.718999 2.367337 1.332930
H 3.003005 2.619686 1.428957
H 3.908201 2.265439 -0.107493
H -1.148799 -3.930427 1.840944
H -4.633209 0.382808 -1.093089
H 1.207193 -4.174762 -1.803768
H -2.966527 3.426680 1.522193
H 0.031117 -5.313526 0.103588
H -4.936136 2.448702 0.308257
H 3.563284 0.457618 2.112760


