%chk=000086399.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086399

0 1
 S   -3.942800      -1.791400     -2.7400000E-02
 O    2.242100      -1.236200     -8.6900003E-02
 N   -1.867400      0.6312000      1.2900000E-02
 N    2.362200       1.056300     -0.4504000    
 C   -1.236000       1.827800      0.5741000    
 C   -1.680600     -0.5101000      0.9218000    
 C   -3.291600      0.8890000     -0.2496000    
 C   0.2694000       1.607200      0.7313000    
 C   -2.163900      -1.827400      0.3195000    
 C   -3.969600     -0.2584000     -0.9946000    
 C   0.9511000       1.287500     -0.5961000    
 C    2.893000     -0.2031000     -0.2050000    
 C    4.375600     -0.1738000     -9.1799997E-02
 C    5.058500      -1.298600      0.1422000    
 H   -1.672300       2.094600       1.545200    
 H   -1.390600       2.682300     -9.6799999E-02
 H   -2.168200     -0.3300000       1.889600    
 H  -0.6238000     -0.6924000       1.130900    
 H   -3.382800       1.779300     -0.8853000    
 H   -3.831200       1.112100      0.6810000    
 H   0.5207000      0.8710000       1.501100    
 H   0.7004000       2.543700       1.112700    
 H   -1.625100      -2.054200     -0.6074000    
 H   -1.970400      -2.648000       1.018100    
 H   -5.014000     -1.1000000E-03  -1.198600    
 H   -3.483400     -0.4385000      -1.959800    
 H   0.8338000       2.125400      -1.292000    
 H   0.5112000      0.4018000      -1.066000    
 H    2.980100       1.859400     -0.5245000    
 H    4.897100      0.7706000     -0.2017000    
 H    6.140100      -1.269300      0.2234000    
 H    4.575100      -2.262300      0.2580000    


%chk=000086399-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086399

0 1
S -3.857513 -1.945863 -0.103850
O 1.988559 -1.001815 0.284661
N -1.846231 0.634237 0.069294
N 2.366140 1.111794 -0.613487
C -1.221160 1.856685 0.642252
C -1.534306 -0.592301 0.856147
C -3.305065 0.839325 -0.131408
C 0.322428 1.806970 0.677638
C -1.983333 -1.875690 0.145739
C -3.951765 -0.270038 -0.971640
C 0.929463 1.430700 -0.695357
C 2.803852 -0.107333 -0.117384
C 4.292358 -0.281075 -0.100456
C 4.862531 -1.422830 0.360603
H -1.591532 2.063772 1.680283
H -1.543681 2.710914 0.013156
H -1.999515 -0.548205 1.873541
H -0.437811 -0.659724 0.977562
H -3.436213 1.803525 -0.663015
H -3.848856 0.918047 0.844884
H 0.669500 1.069253 1.422450
H 0.695760 2.795778 1.009254
H -1.499157 -1.958040 -0.841896
H -1.727734 -2.761416 0.750203
H -5.025539 -0.070716 -1.125728
H -3.448027 -0.358087 -1.949577
H 0.791555 2.251155 -1.423449
H 0.392639 0.546447 -1.079790
H 3.053473 1.813674 -0.891303
H 4.913155 0.544855 -0.476652
H 5.948143 -1.564820 0.376016
H 4.224584 -2.234777 0.729208


