%chk=000160014.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160014

0 1
 S  -0.5948000      -2.334400     -0.1954000    
 N   0.2612000      0.3095000     -0.3438000    
 N   -1.930100      8.5299999E-02  0.1322000    
 C    1.666100      0.1264000     -0.6521000    
 C    2.527400      2.8200001E-02  0.6013000    
 C  -0.7518000     -0.6770000     -0.1375000    
 C  -0.3061000       1.558200     -0.1980000    
 C   -1.606100       1.425200      8.4700003E-02
 C    4.006900     -0.1423000      0.2866000    
 C   -3.272700     -0.3790000      0.4219000    
 H    1.998300      0.9598000      -1.283000    
 H    1.777000     -0.7885000      -1.244200    
 H    2.396300      0.9301000       1.211400    
 H    2.193800     -0.8141000       1.218900    
 H   0.2706000       2.462500     -0.3070000    
 H   -2.341600       2.193600      0.2602000    
 H    4.383000      0.7063000     -0.2935000    
 H    4.587000     -0.2065000       1.212300    
 H    4.180400      -1.056900     -0.2891000    
 H   -3.564800     -2.0600000E-02   1.413600    
 H   -3.329000      -1.468900      0.4061000    
 H   -3.957400      2.5000000E-02 -0.3297000    


%chk=000160014-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000160014

0 1
S -0.488530 -2.242288 -0.184520
N 0.235005 0.461049 -0.368231
N -1.906093 0.167110 0.134993
C 1.649912 0.173783 -0.654511
C 2.502941 0.053388 0.628448
C -0.721722 -0.538277 -0.137945
C -0.341862 1.735450 -0.228544
C -1.674033 1.553531 0.079864
C 3.973506 -0.274412 0.296544
C -3.186050 -0.479922 0.428651
H 2.041216 0.971897 -1.313148
H 1.676990 -0.785090 -1.204480
H 2.441954 0.997588 1.204475
H 2.067867 -0.745013 1.257807
H 0.228966 2.649139 -0.362331
H -2.458868 2.281897 0.258653
H 4.433769 0.514121 -0.329103
H 4.575185 -0.366585 1.218113
H 4.050996 -1.231360 -0.252138
H -3.542562 -0.204073 1.436722
H -3.018057 -1.569760 0.387676
H -3.946928 -0.200272 -0.321093


