%chk=000154663.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154663

0 1
 S    2.935200       1.006400     -0.2478000    
 N   -2.972200      0.6414000      0.1747000    
 N    1.643600      -1.194900      0.1971000    
 N    3.985700      -1.430000     -3.5599999E-02
 C  -0.7393000     -0.3980000      0.3848000    
 C   -1.559800      0.7896000     -0.1929000    
 C   -1.268300      -1.714000     -0.1916000    
 C  -0.9922000       2.134300      0.3170000    
 C   0.7220000     -0.1690000      0.1506000    
 C   -2.769600      -1.831500      7.2200000E-02
 C   0.4573000       2.356200     -0.1638000    
 C   -3.530500     -0.5893000     -0.3929000    
 C    1.245200       1.092200     -6.4599998E-02
 C    2.842900     -0.6935000     -7.3000002E-03
 H  -0.8779000     -0.4240000       1.476500    
 H   -1.480700      0.7976000      -1.290400    
 H  -0.7501000      -2.570500      0.2560000    
 H   -1.078500      -1.759100      -1.271800    
 H   -1.016300       2.149600       1.415200    
 H   -1.611400       2.972400     -2.5400000E-02
 H   -3.164800      -2.718900     -0.4350000    
 H   -2.936300      -1.978400       1.147000    
 H   -3.501100       1.440600     -0.1734000    
 H   0.9190000       3.156300      0.4257000    
 H   0.4415000       2.682600      -1.210900    
 H   -3.523900     -0.5329000      -1.488400    
 H   -4.578300     -0.6759000     -8.5199997E-02
 H    3.977000      -2.435100      0.1030000    
 H    4.892600      -1.003700     -0.1951000    


%chk=000154663-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154663

0 1
S 3.046921 1.084335 -0.302466
N -2.981449 0.618594 0.174391
N 1.676504 -1.174512 0.202781
N 4.036907 -1.530002 -0.008736
C -0.741088 -0.377661 0.375836
C -1.560616 0.811965 -0.193774
C -1.261626 -1.709111 -0.219207
C -1.015935 2.154658 0.335354
C 0.734230 -0.126184 0.145805
C -2.771843 -1.854252 0.083394
C 0.425298 2.414341 -0.188943
C -3.557640 -0.618276 -0.410561
C 1.228683 1.141639 -0.098096
C 2.907262 -0.739434 -0.002543
H -0.934763 -0.404095 1.469551
H -1.422033 0.798074 -1.309169
H -0.685617 -2.554809 0.195417
H -1.091685 -1.711308 -1.315402
H -1.021520 2.129069 1.441308
H -1.674122 2.989278 0.020439
H -3.178402 -2.764399 -0.397981
H -2.921352 -1.955203 1.175889
H -3.547254 1.449900 -0.047713
H 0.894564 3.223799 0.403094
H 0.386704 2.774275 -1.238036
H -3.525360 -0.606500 -1.530560
H -4.617893 -0.692710 -0.105851
H 3.921921 -2.526592 0.159625
H 4.962004 -1.144378 -0.166147


