%chk=000121359.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121359

0 1
 S   0.4892000       3.029400     -0.4612000    
 N   -1.783300     -0.2619000      0.3553000    
 C   -1.313200      0.9493000     -0.2989000    
 C   3.5799999E-02   1.412400      0.2808000    
 C   -3.063000     -0.6913000     -0.2070000    
 C    1.175700      0.4236000      0.1237000    
 C   -4.118400      0.3930000     -8.8000000E-03
 C   -3.492200      -2.000000      0.4486000    
 C    2.181800      0.4024000       1.071200    
 C    1.178800     -0.4313000     -0.9626000    
 C    3.229900     -0.5068000      0.9271000    
 C    2.226800      -1.340600      -1.106500    
 C    3.252200      -1.378200     -0.1616000    
 H   -2.017500       1.769300     -0.1150000    
 H   -1.264900      0.8152000      -1.386200    
 H  -0.1113000       1.602700       1.352400    
 H   -2.947600     -0.8871000      -1.280500    
 H   -1.876800     -0.1001000       1.357700    
 H   -5.115100     -2.7999999E-03 -0.2374000    
 H   -4.144900      0.7552000       1.025300    
 H   -3.971900       1.247200     -0.6772000    
 H   -2.735600      -2.778900      0.3016000    
 H   -4.429500      -2.362900      1.3100000E-02
 H   -3.647900      -1.878400       1.526600    
 H    2.173800       1.076800       1.922400    
 H   0.4149000     -0.4207000      -1.731000    
 H   0.5915000       2.598300      -1.727300    
 H    4.028600     -0.5360000       1.662500    
 H    2.247500      -2.016000      -1.956900    
 H    4.068800      -2.085400     -0.2745000    


%chk=000121359-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121359

0 1
S 0.633966 3.180413 -0.298412
N -1.893107 -0.073889 0.430113
C -1.337763 1.148208 -0.177160
C 0.068236 1.458225 0.381790
C -3.096546 -0.662551 -0.209700
C 1.152087 0.415218 0.159723
C -4.346854 0.262131 -0.190155
C -3.399345 -2.019091 0.458791
C 2.327722 0.458345 0.954920
C 1.044027 -0.590413 -0.833567
C 3.371500 -0.470506 0.760654
C 2.090750 -1.518622 -1.035465
C 3.258576 -1.463207 -0.241555
H -1.959547 2.061894 -0.030722
H -1.278799 0.992124 -1.273132
H -0.009959 1.680716 1.463535
H -2.826443 -0.849820 -1.270554
H -2.000586 0.005548 1.450943
H -5.190433 -0.203415 -0.733605
H -4.673618 0.449408 0.851217
H -4.135823 1.237483 -0.665558
H -2.516715 -2.679300 0.404891
H -4.253306 -2.520518 -0.031148
H -3.659963 -1.879248 1.526682
H 2.427215 1.239284 1.719129
H 0.131742 -0.673350 -1.431674
H 1.007367 2.709211 -1.546712
H 4.270740 -0.420081 1.385068
H 1.989413 -2.292022 -1.805587
H 4.067666 -2.185777 -0.397049


