%chk=000040705.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040705

0 1
 S    2.062900     -0.4677000       1.423900    
 O    1.750600       2.478000     -2.0400001E-02
 N   0.3876000       2.167100     -5.2999998E-03
 C   -1.121700      0.2503000     -1.2300000E-02
 C   0.1968000      0.8638000     -2.2200000E-02
 C    1.411500      2.9000000E-03 -5.4900002E-02
 C   -1.244900      -1.138900     -3.3199999E-02
 C   -2.263200       1.051300      1.8100001E-02
 C    2.049400     -0.4432000      -1.145100    
 C   -2.509700      -1.727100     -2.4000000E-02
 C   -3.527900      0.4632000      2.7300000E-02
 C   -3.651100     -0.9261000      6.3000000E-03
 C    3.167800      -1.238900     -0.7633000    
 C    3.291800      -1.334700      0.6052000    
 H  -0.3912000      -1.808100     -6.1799999E-02
 H   -2.196800       2.135900      3.5000000E-02
 H    1.764200     -0.2350000      -2.168100    
 H   -2.606500      -2.808900     -4.1499998E-02
 H   -4.416900       1.086600      5.0900001E-02
 H   -4.635900      -1.384000      1.3200000E-02
 H    3.847100      -1.716800      -1.457300    
 H    4.045100      -1.872500       1.163400    
 H    1.729000       3.449700     -6.2000002E-03


%chk=000040705-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040705

0 1
S 3.184785 0.555248 0.594654
O 1.521443 2.628177 1.171185
N 0.202393 2.051010 0.916924
C -1.045144 0.233880 0.076460
C 0.298760 0.840343 0.363051
C 1.512779 0.097016 0.025701
C -1.339578 -1.108430 0.436459
C -2.062854 1.026069 -0.517177
C 1.586513 -1.046766 -0.782507
C -2.622932 -1.646914 0.199457
C -3.344367 0.484757 -0.755335
C -3.629099 -0.854613 -0.400965
C 2.907423 -1.578443 -0.946200
C 3.874319 -0.851383 -0.264160
H -0.572724 -1.718993 0.924795
H -1.836686 2.062510 -0.786072
H 0.703685 -1.477143 -1.259021
H -2.838926 -2.680730 0.491170
H -4.118603 1.105708 -1.219459
H -4.623600 -1.275008 -0.587447
H 3.131626 -2.461425 -1.548873
H 4.948487 -1.025639 -0.216944
H 1.300299 3.487669 1.612006


