%chk=000145501.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145501

0 1
 S    4.449500      3.2800000E-02 -0.7091000    
 O   0.8651000       1.642600      5.1199999E-02
 O    2.977400       2.466400      1.3400000E-02
 N   -3.678500      8.2800001E-02  0.1857000    
 N    5.108100     -0.6262000       1.982800    
 C   -2.309400     -0.1763000     -2.4400000E-02
 C   -4.657200     -0.9781000      4.6900000E-02
 C   -4.126900       1.410800      0.5572000    
 C   0.4383000     -0.7021000     -0.4456000    
 C  -2.2399999E-02  0.5659000     -0.1017000    
 C   -1.375500      0.8440000      0.1101000    
 C   -1.883700      -1.456400     -0.3677000    
 C    1.889300     -0.9078000     -0.6502000    
 C  -0.5236000      -1.716500     -0.5762000    
 C   -4.842300      -1.694300       1.370800    
 C   -4.414800       2.231500     -0.6853000    
 C    2.722200      0.1429000     -0.4966000    
 C    2.325700      -2.307100      -1.022300    
 C    2.232400       1.501700     -0.1288000    
 C    4.826500     -0.3567000      0.8899000    
 H   -5.625100     -0.5371000     -0.2270000    
 H   -4.447900      -1.672400     -0.7730000    
 H   -5.065800       1.327500       1.120900    
 H   -3.454500       1.929200       1.248200    
 H   -1.635400       1.866800      0.3578000    
 H   -2.551600      -2.304000     -0.4727000    
 H  -0.2431000      -2.733500     -0.8377000    
 H   -3.920200      -2.183900       1.699400    
 H   -5.148900      -1.000000       2.160400    
 H   -5.616900      -2.462500       1.279500    
 H   -3.515100       2.381400      -1.290400    
 H   -5.163700       1.744800      -1.319300    
 H   -4.800200       3.217200     -0.4059000    
 H    3.401400      -2.414400      -1.179100    
 H    1.848400      -2.621600      -1.957300    
 H    2.056600      -3.015200     -0.2304000    


%chk=000145501-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000145501

0 1
S 4.582943 0.197966 -0.617355
O 0.804130 1.771628 -0.101558
O 2.900822 2.711919 -0.195854
N -3.709031 0.081668 0.182931
N 5.231842 -1.647893 1.591674
C -2.352121 -0.149402 -0.008077
C -4.715211 -0.995238 0.046800
C -4.225701 1.425828 0.527685
C 0.479766 -0.651709 -0.405501
C -0.040796 0.656887 -0.155708
C -1.403123 0.917742 0.031024
C -1.843594 -1.479043 -0.249486
C 1.908881 -0.829095 -0.583649
C -0.481306 -1.707475 -0.442770
C -4.940342 -1.793976 1.351124
C -4.495049 2.315326 -0.707947
C 2.731223 0.292732 -0.459683
C 2.470395 -2.204240 -0.866002
C 2.244778 1.655100 -0.248237
C 4.940702 -0.891066 0.707858
H -5.664931 -0.523981 -0.267287
H -4.424278 -1.672043 -0.776651
H -5.163506 1.286292 1.096704
H -3.520091 1.925036 1.216116
H -1.696406 1.956981 0.189323
H -2.522931 -2.334409 -0.266397
H -0.144454 -2.735437 -0.607427
H -4.010046 -2.285939 1.684025
H -5.280626 -1.129730 2.165700
H -5.710789 -2.572142 1.199357
H -3.573366 2.475444 -1.293264
H -5.243830 1.849711 -1.373905
H -4.881698 3.302110 -0.394226
H 3.441414 -2.139977 -1.383041
H 1.783937 -2.799001 -1.489913
H 2.640594 -2.758372 0.077118


