%chk=000091872.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091872

0 1
 O   -1.505600      0.5673000      -1.364200    
 N   -1.706000     -0.1034000      0.8559000    
 C   0.4682000     -6.3699998E-02 -0.1639000    
 C    1.041100      0.9386000      0.8769000    
 C    1.185500      0.2787000      -1.492200    
 C    2.330900       1.457000      0.2399000    
 C   0.6569000      -1.544200      0.1757000    
 C    1.960200       1.564500      -1.227600    
 C   -1.014300      0.1663000     -0.3124000    
 C    1.270600      0.4068000       2.285600    
 C   6.3100003E-02  -2.422800     -0.9212000    
 C    2.135700      -1.860300      0.3794000    
 C   -3.136300      5.9599999E-02  0.9832000    
 C   -3.750000      0.5557000     -0.3150000    
 H   0.3517000       1.792200      0.9599000    
 H   0.5297000      0.4151000      -2.357800    
 H    1.908900     -0.4756000      -1.810500    
 H    3.171100      0.7672000      0.3703000    
 H    2.627800       2.426200      0.6533000    
 H   0.1457000      -1.828700       1.101300    
 H    1.315900       2.435600      -1.396100    
 H    2.838700       1.660600      -1.872200    
 H    1.124100       1.237900       2.988800    
 H   0.5772000     -0.3707000       2.606100    
 H    2.295400      7.9599999E-02   2.476100    
 H   0.2195000      -3.480100     -0.6755000    
 H   0.5233000      -2.258600      -1.900100    
 H   -1.018100      -2.289900      -1.026600    
 H    2.731900      -1.779500     -0.5332000    
 H    2.648200      -1.307000       1.156400    
 H    2.223900      -2.913000      0.6808000    
 H   -1.220100     -0.4111000       1.688000    
 H   -3.556600     -0.9093000       1.269300    
 H   -3.318600      0.7681000       1.796900    
 H   -3.403200       1.555100     -0.5968000    
 H   -3.646600     -0.1601000      -1.136900    
 H   -4.831300      0.6599000     -0.1587000    


%chk=000091872-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000091872

0 1
O -1.318682 1.302160 -1.292849
N -1.763557 0.165283 0.668869
C 0.580638 0.098857 -0.205991
C 1.214421 0.973447 0.976999
C 1.381518 0.541419 -1.481219
C 2.617127 1.381323 0.455001
C 0.638233 -1.463439 0.015824
C 2.356277 1.668562 -1.040539
C -0.905437 0.558367 -0.348379
C 1.198801 0.394830 2.406072
C -0.133831 -2.216159 -1.099315
C 2.069369 -2.051473 0.122840
C -3.186124 0.552304 0.693655
C -4.114782 -0.526436 0.094341
H 0.620396 1.912426 1.004886
H 0.686297 0.885953 -2.264103
H 1.953944 -0.311071 -1.886866
H 3.339071 0.550285 0.573692
H 3.019212 2.254513 1.002431
H 0.138129 -1.692637 0.983063
H 1.865044 2.654866 -1.146214
H 3.280004 1.688284 -1.646347
H 1.664841 1.117451 3.102375
H 0.170352 0.217253 2.775115
H 1.761278 -0.550914 2.490067
H -0.114099 -3.306530 -0.914740
H 0.328503 -2.034595 -2.087198
H -1.189692 -1.897314 -1.159219
H 2.623049 -1.947477 -0.827983
H 2.670716 -1.575134 0.914925
H 2.008018 -3.132583 0.349910
H -1.419436 -0.470965 1.388571
H -3.474171 0.774063 1.738864
H -3.269535 1.482907 0.107159
H -3.851929 -0.710706 -0.961721
H -4.037504 -1.481277 0.646675
H -5.167958 -0.191844 0.134251


