%chk=000095753.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095753

0 1
 S    1.249600      -1.581600      0.2269000    
 O   -5.186700     -0.2140000     -6.1500002E-02
 N    1.137900      0.9667000     -0.1560000    
 C   -1.038000     -0.1382000     -1.9500000E-02
 C   0.4054000     -0.1120000     -4.4999998E-03
 C    2.744000     -0.7285000      0.1193000    
 C    2.481700      0.6292000     -8.7200001E-02
 C   -1.757900       1.032700      0.2133000    
 C   -1.710000      -1.334700     -0.2663000    
 C    4.054300      -1.225000      0.2111000    
 C    3.571100       1.519300     -0.2058000    
 C   -3.825900     -0.1891000     -4.7699999E-02
 C   -3.152500       1.007200      0.1993000    
 C   -3.104500      -1.360000     -0.2805000    
 C    5.114300     -0.3229000      9.0300001E-02
 C    4.878200       1.031900     -0.1154000    
 C   -5.861000       1.019100      0.1842000    
 H   -1.254700       1.976100      0.4112000    
 H   -1.210400      -2.274200     -0.4813000    
 H    4.246300      -2.281500      0.3716000    
 H    3.398000       2.579600     -0.3668000    
 H   -3.650200       1.952200      0.3886000    
 H   -3.624500      -2.293400     -0.4791000    
 H    6.136300     -0.6866000      0.1584000    
 H    5.715100       1.718700     -0.2070000    
 H   -5.652900       1.398100       1.190600    
 H   -6.935700      0.8150000      0.1357000    
 H   -5.641000       1.759800     -0.5921000    


%chk=000095753-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000095753

0 1
S 1.374541 -1.807877 -0.072253
O -5.279619 -0.196746 0.027263
N 1.188744 0.885967 0.040202
C -1.042276 -0.191907 0.006925
C 0.420532 -0.188120 -0.000423
C 2.882839 -0.812108 -0.038377
C 2.559585 0.585939 0.020999
C -1.737232 1.047039 0.074905
C -1.803525 -1.394581 -0.052101
C 4.218519 -1.256923 -0.063181
C 3.601991 1.543861 0.055183
C -3.883800 -0.116483 0.024624
C -3.143526 1.093578 0.084343
C -3.205114 -1.361223 -0.043482
C 5.245370 -0.285736 -0.028007
C 4.938586 1.101026 0.030444
C -6.037343 1.057800 0.088544
H -1.150419 1.969624 0.120360
H -1.295629 -2.364489 -0.106411
H 4.463553 -2.322339 -0.108569
H 3.347474 2.606792 0.100128
H -3.647762 2.062784 0.138350
H -3.798036 -2.279257 -0.088995
H 6.291232 -0.610732 -0.046340
H 5.752853 1.832962 0.056501
H -5.821337 1.611255 1.022482
H -7.093931 0.753801 0.073035
H -5.819971 1.699994 -0.786350


