%chk=000148847.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148847

0 1
 S   -6.015000     -0.4764000      0.3399000    
 O   -7.364500     -6.8899997E-02  0.6837000    
 O   -5.734000      -1.085600     -0.9450000    
 N   0.3270000      0.5066000      -1.276500    
 N    4.008200      2.9100001E-02  0.6695000    
 N   -4.953800      0.8466000      0.6393000    
 N    3.666300      -4.752500      0.3589000    
 C    1.575000      0.3447000     -0.6163000    
 C    2.075300     -0.9407000     -0.3850000    
 C    2.292600       1.472100     -0.2041000    
 C    3.313000      -1.053400      0.2704000    
 C    3.521800       1.264900      0.4443000    
 C  -0.9881000      0.5905000     -0.8002000    
 C    1.375400      -2.091100     -0.7883000    
 C    1.813800       2.775500     -0.4234000    
 C    3.816300      -2.330500      0.5036000    
 C    4.240900       2.383500      0.8573000    
 C    3.123300      -3.476000      0.1043000    
 C    1.900300      -3.356500     -0.5432000    
 C   -2.053900      0.7542000      -1.692000    
 C   -1.248200      0.5127000      0.5728000    
 C   -3.614500      0.7607000      0.1525000    
 C    2.552000       3.877000     -6.9999998E-04
 C    3.768000       3.680000      0.6409000    
 C   -3.362800      0.8391000      -1.217300    
 C   -2.557100      0.5975000       1.047600    
 C   -5.477600      -1.603200       1.607200    
 H   0.4225000      0.5686000      -2.286000    
 H   0.4188000      -2.033500      -1.301100    
 H   0.8692000       2.965500     -0.9263000    
 H    4.774800      -2.436800       1.010700    
 H    5.196700       2.255400       1.362200    
 H    1.348300      -4.236500     -0.8618000    
 H   -1.873100      0.8199000      -2.762100    
 H  -0.4444000      0.3855000       1.293300    
 H    2.180600       4.882600     -0.1722000    
 H    4.352200       4.532700      0.9745000    
 H   -4.174500      0.9790000      -1.926300    
 H   -2.741600      0.5338000       2.116900    
 H   -5.030800       1.264400       1.576400    
 H    4.556500      -4.839300      0.8309000    
 H    3.165100      -5.582300      7.0799999E-02
 H   -5.567800      -1.115100       2.579400    
 H   -6.127900      -2.480400       1.573500    
 H   -4.447200      -1.903800       1.410600    


%chk=000148847-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000148847

0 1
S -6.305906 0.136706 0.498129
O -7.648632 0.755319 1.180253
O -6.341383 -0.591414 -0.957382
N 0.226223 -0.058514 -1.264656
N 4.032806 -0.046091 0.761098
N -4.936901 1.682041 0.315402
N 4.536600 -4.799426 -0.044380
C 1.462796 -0.032113 -0.557054
C 2.199335 -1.245128 -0.420021
C 2.016799 1.188610 -0.052056
C 3.509518 -1.199473 0.230087
C 3.306402 1.109271 0.631725
C -1.032876 0.381409 -0.821429
C 1.714264 -2.523723 -0.869346
C 1.406031 2.478250 -0.228419
C 4.280749 -2.397470 0.343695
C 3.875144 2.316130 1.174716
C 3.798139 -3.623782 -0.139532
C 2.481376 -3.672158 -0.740941
C -2.122373 0.383273 -1.746251
C -1.269221 0.794279 0.523932
C -3.639902 1.228775 -0.009645
C 1.998137 3.625839 0.293709
C 3.236638 3.542212 1.017380
C -3.398495 0.802920 -1.352983
C -2.555907 1.186745 0.921170
C -5.582116 -1.176460 1.722810
H 0.226197 -0.585672 -2.140846
H 0.706962 -2.603565 -1.293440
H 0.468827 2.556724 -0.786685
H 5.258585 -2.315341 0.829109
H 4.832023 2.220697 1.696892
H 2.087134 -4.637202 -1.082636
H -1.950728 0.070263 -2.783599
H -0.451131 0.785842 1.249240
H 1.522322 4.601341 0.146202
H 3.683505 4.453400 1.430258
H -4.230286 0.822807 -2.062707
H -2.727989 1.486028 1.963523
H -4.997470 2.106390 1.264306
H 5.460620 -4.799885 0.378419
H 4.168170 -5.679397 -0.393329
H -5.584556 -0.714244 2.719433
H -6.268401 -2.032201 1.657256
H -4.573930 -1.422411 1.362192


