%chk=000154626.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154626

0 1
 S    4.039600      -1.432100     -0.5963000    
 O  -0.2205000      -2.661000      0.1880000    
 O   -2.857600       3.103900     -0.3685000    
 O  -0.9185000       2.076300     -0.3157000    
 O    4.037300       2.201100      0.7148000    
 O    5.644400      0.9050000     -3.1199999E-02
 N  -0.7211000     -0.3864000     -5.2999998E-03
 N   -2.170300       2.061400     -0.2621000    
 N    4.427000       1.093000      0.2495000    
 C   -2.118200     -0.3732000      5.0500002E-02
 C    1.571300      -1.173900     -6.8400003E-02
 C   -2.835000      0.8170000     -7.3200002E-02
 C   0.1398000      -1.494100      6.3600004E-02
 C   -2.794900      -1.579000      0.2342000    
 C    2.142800      6.1700001E-02  0.2812000    
 C   -4.228400      0.8014000     -1.3100000E-02
 C    2.456600      -2.083800     -0.5559000    
 C    3.499400      6.1799999E-02  4.3000001E-02
 C   -4.188400      -1.594600      0.2943000    
 C   -4.905200     -0.4044000      0.1706000    
 H  -0.2773000      0.5111000     -0.1515000    
 H    1.620100      0.9124000      0.7000000    
 H   -2.327300      -2.545100      0.3485000    
 H    2.278700      -3.094800     -0.8957000    
 H   -4.823900       1.706200     -0.1050000    
 H   -4.717000      -2.532400      0.4394000    
 H   -5.990200     -0.4171000      0.2180000    


%chk=000154626-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154626

0 1
S 4.227242 -1.599375 -0.089790
O -0.227945 -2.762373 -0.040210
O -2.887334 3.169316 0.154851
O -0.862875 2.146921 0.086153
O 3.957822 2.392760 -0.010577
O 5.748004 0.954018 -0.067301
N -0.723899 -0.454547 0.019839
N -2.177868 2.099322 0.111089
N 4.477719 1.210115 -0.041017
C -2.127450 -0.455488 0.043074
C 1.598356 -1.184672 -0.037121
C -2.850116 0.791862 0.086932
C 0.144652 -1.549985 -0.019619
C -2.894198 -1.657740 0.024601
C 2.187249 0.132161 -0.023016
C -4.267858 0.818873 0.109586
C 2.557828 -2.200300 -0.071425
C 3.571997 0.081858 -0.046892
C -4.298057 -1.613651 0.047279
C -4.995312 -0.378498 0.089623
H -0.337429 0.509034 0.036496
H 1.656679 1.087576 0.004051
H -2.357732 -2.607167 -0.007221
H 2.353588 -3.270362 -0.087001
H -4.763932 1.792019 0.143095
H -4.857263 -2.555105 0.031439
H -6.088668 -0.356172 0.106785


