%chk=000056945.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056945

0 1
 S   -2.747000       2.542400     -0.8322000    
 O  -0.9942000      -1.731800     -0.8625000    
 O   -1.960000      -2.232000       1.220200    
 O    1.662400      -1.316100     -0.1929000    
 N    3.490600      0.2544000     -0.1900000    
 C   -2.153500      -1.553700     -3.2099999E-02
 C   -2.341600     -6.4099997E-02  0.2257000    
 C  -0.2403000      -2.760500     -0.2150000    
 C  -0.5692000      -2.556500       1.243900    
 C   -3.369000      -2.153200     -0.7279000    
 C   -2.474500      0.7588000      -1.070200    
 C   -3.503500      0.1781000       1.195200    
 C    1.232300      -2.624300     -0.5380000    
 C    3.053700      -1.120400     -0.4750000    
 C   -1.193200       2.931600      3.5999999E-03
 C   -1.126900       4.416200      0.3440000    
 C    3.326100      0.5542000       1.233200    
 C    2.743100       1.220900     -0.9967000    
 C   0.1757000       4.758200       1.052500    
 C    4.092500     -0.4351000       2.094700    
 C    2.896500      0.9328000      -2.480500    
 H   -1.430900      0.2662000      0.7414000    
 H  -0.6218000      -3.727300     -0.5650000    
 H  -3.6899999E-02  -1.711200       1.693400    
 H  -0.3972000      -3.448700       1.851900    
 H   -3.526000      -1.746100      -1.730500    
 H   -4.285400      -2.052400     -0.1396000    
 H   -3.217800      -3.231700     -0.8638000    
 H   -1.589400      0.6333000      -1.703000    
 H   -3.332900      0.4147000      -1.654200    
 H   -3.470600       1.192300       1.606800    
 H   -3.471400     -0.4967000       2.056600    
 H   -4.474800      5.5799998E-02  0.7048000    
 H    1.382300      -2.768100      -1.614300    
 H    1.815900      -3.371800      1.0800000E-02
 H    3.253200      -1.376000      -1.522200    
 H    3.646200      -1.853000      8.4399998E-02
 H  -0.3577000       2.658500     -0.6485000    
 H   -1.113500       2.361900      0.9329000    
 H   -1.199900       5.021000     -0.5681000    
 H   -1.964700       4.698000      0.9935000    
 H    2.271800      0.5661000       1.537700    
 H    3.728300       1.555200       1.432900    
 H    3.139800       2.225900     -0.8060000    
 H    1.677800       1.241400     -0.7364000    
 H    1.039000       4.519600      0.4229000    
 H   0.2106000       5.826800       1.286600    
 H   0.2703000       4.201800       1.990500    
 H    4.163200     -4.7400001E-02   3.117400    
 H    5.115900     -0.5840000       1.733700    
 H    3.591900      -1.405700       2.166100    
 H    2.532100       1.790500      -3.057300    
 H    2.307400      6.8499997E-02  -2.802600    
 H    3.944300      0.7756000      -2.758600    


%chk=000056945-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056945

0 1
S -2.872695 2.488339 -0.837510
O -1.227027 -1.821111 -0.880503
O -2.102321 -2.398284 1.253268
O 1.628929 -1.251620 0.022859
N 3.493736 0.309157 0.144751
C -2.440990 -1.699069 -0.020417
C -2.671263 -0.185539 0.260413
C -0.292988 -2.761798 -0.211649
C -0.632863 -2.560559 1.276579
C -3.612759 -2.456613 -0.648287
C -2.774158 0.608515 -1.061497
C -3.888643 0.038430 1.182582
C 1.139917 -2.457224 -0.639109
C 3.035222 -0.906908 -0.441198
C -1.078795 2.866768 -0.350327
C -0.899917 4.391777 -0.235845
C 3.745950 0.291745 1.612344
C 2.811837 1.559240 -0.290360
C 0.528963 4.778939 0.209383
C 4.645088 -0.866380 2.078386
C 2.688325 1.704590 -1.816716
H -1.757275 0.148686 0.791907
H -0.543111 -3.798557 -0.526148
H -0.128466 -1.659554 1.670004
H -0.418545 -3.436252 1.909485
H -3.933972 -1.977879 -1.588912
H -4.467453 -2.490097 0.047602
H -3.304571 -3.492029 -0.869039
H -1.911817 0.390694 -1.713206
H -3.703264 0.364174 -1.607543
H -3.944492 1.101791 1.473089
H -3.804235 -0.579730 2.093022
H -4.836333 -0.215604 0.671402
H 1.161587 -2.338534 -1.745617
H 1.780913 -3.332030 -0.377962
H 3.009564 -0.822407 -1.544835
H 3.696637 -1.748871 -0.157406
H -0.418572 2.440550 -1.127448
H -0.860450 2.374445 0.614151
H -1.131100 4.861106 -1.211471
H -1.634450 4.790882 0.490814
H 2.787451 0.268765 2.180836
H 4.243965 1.249985 1.857763
H 3.414981 2.401298 0.102527
H 1.800530 1.641460 0.170613
H 1.284705 4.423236 -0.515879
H 0.630956 5.876272 0.293083
H 0.772131 4.338959 1.194886
H 4.907929 -0.724467 3.142290
H 5.580782 -0.897162 1.491799
H 4.141352 -1.845790 1.993225
H 2.318997 2.716863 -2.062616
H 1.972071 0.981773 -2.246347
H 3.669108 1.568530 -2.307014


