%chk=000156578.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156578

0 1
 O   -2.997500      -1.102600       1.548000    
 N    3.183700     -5.4000001E-02 -0.3523000    
 N   -2.213400     -0.2480000     -0.5006000    
 C    4.432500       1.502700      0.3119000    
 C    4.581300     -1.6000001E-02  0.1436000    
 C    2.928500       1.204700      0.3903000    
 C   -2.238400       1.021500      -1.187600    
 C   -3.410000       1.737100     -0.5452000    
 C    2.474100      -1.147000      0.3007000    
 C   -3.443700       1.183000      0.8740000    
 C   -2.889700     -0.2136000      0.7166000    
 C   -1.439100      -1.364000     -0.9987000    
 C    1.085300      -1.220200     -0.1623000    
 C  -5.3700000E-02  -1.283600     -0.5384000    
 H    4.887900       1.938500       1.204000    
 H    4.728300       2.081600     -0.5706000    
 H    5.332200     -0.3288000     -0.5883000    
 H    4.775500     -0.5409000       1.088300    
 H    2.562300       1.106700       1.420600    
 H    2.289500       1.920800     -0.1359000    
 H   -2.382000      0.8809000      -2.262600    
 H   -1.292100       1.539000     -0.9996000    
 H   -4.338800       1.466900      -1.063300    
 H   -3.312700       2.825800     -0.5767000    
 H    2.963300      -2.092100      2.9999999E-02
 H    2.500600      -1.096200       1.397400    
 H   -4.458500       1.159800       1.278000    
 H   -2.785600       1.749200       1.540400    
 H   -1.502100      -1.380200      -2.091200    
 H   -1.891600      -2.287400     -0.6205000    


%chk=000156578-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156578

0 1
O -3.777923 -1.544340 0.843152
N 3.317563 -0.190762 -0.270879
N -2.290973 -0.260361 -0.463105
C 4.540319 1.562244 -0.059972
C 4.729879 0.034190 0.218578
C 3.001797 1.274113 -0.078168
C -1.953177 1.150569 -0.731438
C -3.235344 1.909636 -0.277802
C 2.501143 -1.189951 0.455330
C -3.893439 0.967440 0.763435
C -3.359781 -0.431194 0.415043
C -1.454128 -1.387897 -0.899138
C 1.111449 -1.254813 -0.032068
C -0.060587 -1.315515 -0.412553
H 4.906481 2.255836 0.711220
H 4.925053 1.861860 -1.047177
H 5.504071 -0.507308 -0.351123
H 4.855823 -0.173491 1.307365
H 2.525014 1.491141 0.906243
H 2.397027 1.720342 -0.885088
H -1.726981 1.303024 -1.802936
H -1.058163 1.452897 -0.150041
H -3.910019 2.046113 -1.140886
H -2.997757 2.905815 0.129792
H 2.981683 -2.179871 0.323727
H 2.482593 -0.985959 1.559355
H -4.994889 0.972603 0.738428
H -3.585287 1.204438 1.799411
H -1.453408 -1.447910 -2.006322
H -1.951937 -2.299290 -0.512384


