%chk=000029697.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029697

0 1
 S    2.739100      0.5435000     -0.7209000    
 O    1.853100      -1.242100       1.006000    
 N   -3.294700      0.8039000      0.3679000    
 N   0.5451000     -0.8086000     -0.8705000    
 C   -1.631700      -1.027600      0.2216000    
 C   -2.298700      0.1598000     -0.4796000    
 C  -0.5409000      -1.718400     -0.5962000    
 C   -4.410500     -0.1213000      0.7011000    
 C   -3.791800       2.028800     -0.2621000    
 C    1.638600     -0.6549000     -4.6399999E-02
 C    4.040900      0.5386000      0.5308000    
 C    5.151500       1.498300      0.1482000    
 H   -1.208700     -0.6928000       1.177900    
 H   -2.373500      -1.799500      0.4532000    
 H   -2.742200     -0.1729000      -1.427200    
 H   -1.520700      0.8910000     -0.7317000    
 H  -0.9359000      -2.063500      -1.557000    
 H  -0.1542000      -2.584400     -4.8400000E-02
 H   -4.079400     -0.9236000       1.366300    
 H   -4.860800     -0.5536000     -0.1991000    
 H   -5.190900      0.4183000       1.250000    
 H   -4.299400       1.824100      -1.211400    
 H   -2.970800       2.729500     -0.4504000    
 H   -4.495600       2.542900      0.4018000    
 H   0.5006000     -0.2485000      -1.716400    
 H    3.617900      0.8319000       1.496900    
 H    4.449500     -0.4725000      0.6281000    
 H    5.616000       1.217900     -0.8033000    
 H    4.784400       2.527200      6.7100003E-02
 H    5.934300       1.486500      0.9140000    


%chk=000029697-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029697

0 1
S 3.026032 0.022507 -1.379733
O 1.996650 -1.259548 0.867996
N -3.098874 0.945321 0.295536
N 0.607830 -1.150672 -1.008586
C -1.493229 -0.999853 0.402800
C -2.210948 0.045085 -0.475099
C -0.517481 -1.892006 -0.399625
C -4.285643 0.264922 0.851015
C -3.472302 2.150074 -0.473761
C 1.770020 -0.902857 -0.316422
C 4.324512 0.330157 -0.033586
C 4.144019 1.685989 0.660952
H -0.942628 -0.480704 1.207569
H -2.228053 -1.670860 0.888597
H -2.770614 -0.482672 -1.297219
H -1.444376 0.678961 -0.961819
H -1.052974 -2.417176 -1.213725
H -0.085276 -2.654022 0.271826
H -3.982965 -0.546085 1.534481
H -4.950311 -0.173355 0.061532
H -4.881818 0.987700 1.435880
H -4.083802 1.927566 -1.386518
H -2.560490 2.684547 -0.794931
H -4.058646 2.832573 0.167437
H 0.516273 -0.787837 -1.958732
H 4.203279 -0.506699 0.675583
H 5.295155 0.242191 -0.548598
H 4.197553 2.522431 -0.057691
H 3.170049 1.732139 1.177517
H 4.939657 1.830185 1.417621


