%chk=000102827.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102827

0 1
 S    3.581100      -2.344000     -0.5910000    
 O   -2.105900     -0.1368000      0.6713000    
 O    1.605700       2.225600       1.513300    
 O   -1.524100      0.3104000      -1.505100    
 O    2.920700       2.617200     -0.2840000    
 N  -1.5699999E-02  0.5709000      0.2391000    
 C   -3.422800     -0.4970000      0.2389000    
 C    1.117900       1.019600     -0.5280000    
 C    1.952100     -0.1681000      -1.027400    
 C   -4.062500      0.7162000     -0.4346000    
 C   -3.310800      -1.666600     -0.7380000    
 C   -4.217900     -0.9053000       1.477200    
 C    2.612400     -0.9693000      9.7000003E-02
 C   -1.241800      0.2538000     -0.3127000    
 C    1.962600       2.040800      0.2195000    
 C    4.149000      -3.067400      0.9647000    
 H   0.7186000       1.551100      -1.401600    
 H    1.308900     -0.8301000      -1.622300    
 H    2.729800      0.2123000      -1.703200    
 H   -3.698100      0.9215000      -1.444200    
 H   -5.144900      0.5714000     -0.5349000    
 H   -3.899100       1.624200      0.1575000    
 H   -2.985600      -1.390000      -1.744000    
 H   -4.286300      -2.150600     -0.8677000    
 H   -2.608600      -2.422300     -0.3671000    
 H   -5.243300      -1.195800       1.226400    
 H   -3.734800      -1.745500       1.989000    
 H   -4.257900     -8.3499998E-02   2.201400    
 H   9.0400003E-02  0.4707000       1.244300    
 H    1.851600      -1.380700      0.7678000    
 H    3.283300     -0.3316000      0.6807000    
 H    3.297100      -3.391600       1.568200    
 H    4.744800      -2.343600       1.526900    
 H    4.773400      -3.938800      0.7501000    
 H    2.189800       2.870500       1.966200    


%chk=000102827-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000102827

0 1
S 3.467724 -2.355998 -0.734212
O -2.105804 -0.011868 0.622715
O 1.711579 2.180402 1.686926
O -1.265747 0.228219 -1.592338
O 3.001925 2.797650 -0.144483
N -0.006597 0.767080 0.301454
C -3.467336 -0.546242 0.191324
C 1.156184 1.199736 -0.476467
C 2.009776 0.010115 -1.032227
C -4.190255 0.520899 -0.655012
C -3.277366 -1.874636 -0.567657
C -4.164680 -0.761424 1.545580
C 2.588716 -0.885495 0.073317
C -1.144051 0.316164 -0.338546
C 2.048346 2.144014 0.322081
C 3.979026 -3.268499 0.829819
H 0.799268 1.761198 -1.361882
H 1.344567 -0.575685 -1.691460
H 2.822166 0.430759 -1.652538
H -3.668270 0.684853 -1.610681
H -5.222324 0.185567 -0.865512
H -4.244325 1.477183 -0.104777
H -2.747015 -1.711081 -1.518786
H -4.266224 -2.319352 -0.783049
H -2.703921 -2.591923 0.046193
H -5.184168 -1.155143 1.384726
H -3.601948 -1.483066 2.162527
H -4.238163 0.189831 2.100377
H -0.000444 0.863867 1.317543
H 1.785948 -1.277913 0.722119
H 3.328389 -0.344865 0.691677
H 3.090484 -3.556375 1.414755
H 4.652159 -2.643401 1.438703
H 4.514212 -4.174342 0.504820
H 2.327269 2.797375 2.166673


