%chk=000148174.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148174

0 1
 S    3.179200       2.302100     -0.4725000    
 O    2.141600       1.176200      0.1010000    
 O   -2.666500      0.7200000      0.4603000    
 O   -2.592400      -1.008600      -1.031000    
 O    4.492700       1.710400     -0.6267000    
 O    2.976800       3.548300      0.2381000    
 N  -0.7969000     -0.5802000      0.3918000    
 C    1.231800     -0.3332000       1.713900    
 C  -0.1819000      0.2253000       1.464500    
 C    1.273300      -1.502100      0.7710000    
 C   9.4999999E-02  -1.605800      2.7300000E-02
 C    2.315400      0.6976000       1.422900    
 C    2.308200      -2.411500      0.6012000    
 C   -2.058900     -0.3540000     -0.1398000    
 C  -6.7500003E-02  -2.616100     -0.9094000    
 C   -3.978600       1.047900     -1.1600000E-02
 C    2.152900      -3.431700     -0.3371000    
 C   0.9736000      -3.531900      -1.087700    
 C   -4.892700     -0.1547000      0.2185000    
 C   -4.466500       2.254500      0.7872000    
 C   -3.889700       1.388100      -1.498600    
 C    2.451200       2.459300      -2.083300    
 H    1.318500     -0.6857000       2.748200    
 H  -0.8066000      0.1159000       2.359800    
 H  -0.2018000       1.284100       1.182200    
 H    3.313800      0.2576000       1.523800    
 H    2.233000       1.535500       2.124400    
 H    3.221700      -2.335900       1.181800    
 H  -0.9671000      -2.724100      -1.502800    
 H    2.950500      -4.153800     -0.4881000    
 H   0.8675000      -4.332300      -1.815300    
 H   -4.731300     -0.5863000       1.213200    
 H   -5.944800      0.1476000      0.1515000    
 H   -4.775500     -0.9631000     -0.5076000    
 H   -3.784800       3.103800      0.6626000    
 H   -4.485700       2.028000       1.859400    
 H   -5.469900       2.568100      0.4814000    
 H   -3.790900      0.5238000      -2.159900    
 H   -4.798400       1.906900      -1.826700    
 H   -3.036800       2.046900      -1.699300    
 H    2.493500       1.491200      -2.586100    
 H    1.418100       2.794300      -1.972900    
 H    3.025700       3.198200      -2.645600    


%chk=000148174-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000148174

0 1
S 3.537337 1.752839 -0.596155
O 1.958494 1.807785 0.461657
O -2.839482 0.648557 0.520489
O -2.484348 -0.831111 -1.300801
O 4.595468 0.761521 0.138370
O 3.947707 3.273340 -0.941714
N -0.837481 -0.400684 0.319320
C 1.091286 -0.108020 1.769077
C -0.395069 0.327990 1.547629
C 1.341799 -1.124085 0.659677
C 0.195411 -1.245246 -0.169134
C 2.072823 1.086653 1.742858
C 2.498762 -1.870398 0.379130
C -2.092802 -0.247179 -0.252315
C 0.180972 -2.104158 -1.291459
C -4.262948 1.012109 0.106917
C 2.503535 -2.743349 -0.740282
C 1.354505 -2.851027 -1.560783
C -5.140242 -0.255286 0.123492
C -4.670731 1.996402 1.216699
C -4.232556 1.696351 -1.274284
C 2.786785 0.932643 -2.134443
H 1.206398 -0.580926 2.765106
H -1.045323 0.054122 2.395518
H -0.485715 1.414192 1.382571
H 3.115888 0.734529 1.885992
H 1.834361 1.819588 2.536659
H 3.392816 -1.771195 1.003309
H -0.710759 -2.181091 -1.915912
H 3.397789 -3.332660 -0.967882
H 1.365393 -3.528950 -2.421751
H -5.083736 -0.751192 1.108836
H -6.193216 0.026659 -0.060171
H -4.822503 -0.965597 -0.655461
H -3.994300 2.868378 1.232604
H -4.632996 1.506174 2.204879
H -5.701079 2.353523 1.040643
H -3.911344 0.990966 -2.056510
H -5.244503 2.065250 -1.522881
H -3.544911 2.560632 -1.262165
H 2.486919 -0.077915 -1.828467
H 1.930703 1.562933 -2.409321
H 3.579692 0.937533 -2.895540


