%chk=000111500.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111500

0 1
 S    2.525000       2.512300      9.5899999E-02
 O    1.689000       2.977500       1.420500    
 O    3.937900       2.647000      0.4139000    
 O    1.954600       3.184200      -1.059800    
 N    3.966400      -2.416300      0.2790000    
 N   -5.383300     -0.7385000      0.3474000    
 C   0.9282000      0.3518000     -0.4727000    
 C  -0.1960000       1.328500     -0.7536000    
 C    2.176800      0.8072000     -8.7200001E-02
 C   -1.554900      0.7862000     -0.4648000    
 C    2.940900      -1.482000      2.5400000E-02
 C   0.6619000     -0.9995000     -0.6150000    
 C    3.191300     -0.1167000      0.1638000    
 C    1.676200      -1.923300     -0.3640000    
 C   -2.114500      0.9456000      0.8027000    
 C   -2.266700      0.1206000      -1.462900    
 C   -4.097900     -0.2264000      7.4600004E-02
 C   -3.385900      0.4392000       1.072500    
 C   -3.538100     -0.3857000      -1.193200    
 C    3.646800      -3.740600      0.7740000    
 C    5.352400      -2.069400      3.5000000E-02
 C   -6.238100     -9.3800001E-02   1.324400    
 C   -5.871900      -1.908000     -0.3559000    
 H  -0.1353000       1.637300      -1.805600    
 H  -0.1125000       2.241400     -0.1585000    
 H    4.171100      0.2246000      0.4829000    
 H  -0.2898000      -1.403900     -0.9338000    
 H    1.453900      -2.978500     -0.4963000    
 H   -1.568600       1.457700       1.591000    
 H   -1.846500     -3.8999999E-03  -2.457700    
 H   -3.787300      0.5691000       2.073500    
 H   -4.070400     -0.8871000      -1.996500    
 H    4.523000      -4.212300       1.233000    
 H    3.312900      -4.389900     -4.2100001E-02
 H    2.869200      -3.704200       1.545300    
 H    5.468000      -1.510200     -0.9005000    
 H    5.973800      -2.967300     -5.6699999E-02
 H    5.754900      -1.474200      0.8613000    
 H   -5.947600     -0.3773000       2.341400    
 H   -7.285300     -0.3863000       1.188000    
 H   -6.201700      0.9975000       1.231300    
 H   -6.707300      -2.371200      0.1811000    
 H   -5.094400      -2.674800     -0.4486000    
 H   -6.231700      -1.638400      -1.354500    
 H    1.936200       2.520900       2.258800    


%chk=000111500-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000111500

0 1
S 2.800333 2.473079 -0.518686
O 2.040988 3.177881 1.038858
O 4.412467 2.583281 -0.406419
O 2.062933 3.183106 -1.774979
N 4.093844 -2.470176 0.477321
N -5.567505 -0.805757 0.291890
C 0.898920 0.326911 -0.347180
C -0.236288 1.316117 -0.641320
C 2.260219 0.683152 -0.244144
C -1.632354 0.764467 -0.401496
C 3.064223 -1.568523 0.207759
C 0.668392 -1.062787 -0.161324
C 3.332521 -0.177323 0.023702
C 1.697498 -1.983198 0.104843
C -2.175797 0.681202 0.906178
C -2.444753 0.309510 -1.469169
C -4.283099 -0.293301 0.064772
C -3.464396 0.168523 1.145634
C -3.738375 -0.207415 -1.255615
C 3.788806 -3.894012 0.662164
C 5.480189 -1.992497 0.568011
C -6.107397 -0.855131 1.654718
C -6.384413 -1.262462 -0.837118
H -0.141128 1.657541 -1.689767
H -0.076870 2.218495 -0.020437
H 4.343712 0.233400 0.081969
H -0.365499 -1.418059 -0.220994
H 1.433294 -3.036109 0.235344
H -1.575239 1.026877 1.757192
H -2.060089 0.364714 -2.495687
H -3.835812 0.133840 2.173871
H -4.324373 -0.535884 -2.118643
H 4.719764 -4.442322 0.874579
H 3.330460 -4.340118 -0.244307
H 3.095989 -4.059556 1.512419
H 5.818352 -1.526472 -0.379711
H 6.146667 -2.842012 0.783676
H 5.606456 -1.246434 1.378610
H -5.488313 -1.489813 2.322113
H -7.122748 -1.281716 1.631458
H -6.172867 0.153914 2.112362
H -7.347077 -1.645378 -0.462576
H -5.889398 -2.081483 -1.398803
H -6.600061 -0.442881 -1.554241
H 2.122523 4.173708 0.969971


