%chk=000107706.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107706

0 1
 S    2.985600       1.827600       1.319000    
 O   -2.842100       1.883000      0.2106000    
 O   -2.604800     -0.2558000     -0.6892000    
 O    3.162800       1.835100       2.766300    
 O    3.621000       2.874500      0.5282000    
 O    2.275500      -2.464800       1.046300    
 O  -0.5489000      -4.236500     -0.2268000    
 O   -1.629700      -4.584300       1.737700    
 N    3.471900      0.2838000      0.7285000    
 N   0.1768000      -1.789000      0.3285000    
 C   -4.805700      0.8126000     -0.6457000    
 C   -5.095200       2.007200      -1.564200    
 C   -5.307500     -0.4895000      -1.283700    
 C   -5.531100       1.024400      0.6929000    
 C   -3.296100      0.7127000     -0.3965000    
 C    1.270400       1.844100      0.9929000    
 C   -1.470100       1.870500      0.4718000    
 C    3.101800     -7.4800000E-02 -0.6141000    
 C   0.7967000       2.333000     -0.2245000    
 C   0.3739000       1.368500       1.950000    
 C  -0.5735000       2.346100     -0.4851000    
 C  -0.9964000       1.381600       1.689400    
 C    2.186700      -1.099100     -0.8577000    
 C    3.673600      0.6179000      -1.681300    
 C    1.843500      -1.430400      -2.168500    
 C    1.571200      -1.840500      0.2354000    
 C    3.330200      0.2866000      -2.992100    
 C    2.415200     -0.7375000      -3.235700    
 C  -0.5773000      -2.451100       1.368500    
 C  -0.9784000      -3.855900      0.9989000    
 H   -6.162300       2.072300      -1.804200    
 H   -4.800100       2.957400      -1.105100    
 H   -4.543000       1.917300      -2.506800    
 H   -6.387000     -0.4517000      -1.468100    
 H   -5.107500      -1.352800     -0.6383000    
 H   -4.811800     -0.6763000      -2.243400    
 H   -5.245400       1.970500       1.166300    
 H   -6.618400       1.038300      0.5571000    
 H   -5.289200      0.2230000       1.400700    
 H    3.445000     -0.4865000       1.409000    
 H    1.474500       2.711800     -0.9840000    
 H   0.7204000      0.9744000       2.901100    
 H  -0.9370000       2.728400      -1.435000    
 H   -1.690000       1.007000       2.437200    
 H    4.402400       1.405900      -1.514600    
 H    1.135500      -2.228800      -2.376000    
 H    3.778500      0.8231000      -3.823200    
 H    2.149200     -0.9966000      -4.256300    
 H  -0.3433000      -1.257400     -0.3639000    
 H   2.4200000E-02  -2.487900       2.281300    
 H   -1.483700      -1.863500       1.537100    
 H  -0.8215000      -5.153600     -0.4433000    


%chk=000107706-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107706

0 1
S 3.226263 2.088552 1.253197
O -2.740247 1.591607 0.275985
O -2.329221 -0.264413 -1.086803
O 3.521298 2.236534 2.839664
O 3.887121 3.052883 0.127134
O 1.840643 -1.657804 1.530370
O -1.516388 -3.926194 -0.324798
O -3.177182 -3.025390 1.024799
N 3.709648 0.266251 0.777680
N -0.006400 -1.614655 0.123282
C -4.681486 0.406465 -0.593762
C -5.275715 1.771122 -1.046201
C -5.079253 -0.717654 -1.580324
C -5.184424 0.055824 0.842555
C -3.153280 0.501814 -0.542318
C 1.352437 2.102260 0.981160
C -1.340825 1.793124 0.496473
C 3.299520 -0.094519 -0.532932
C 0.879764 2.346466 -0.319935
C 0.519959 1.770650 2.063213
C -0.500460 2.184918 -0.566620
C -0.861302 1.622220 1.812728
C 2.166820 -0.947166 -0.780715
C 4.038167 0.419876 -1.633580
C 1.858749 -1.318116 -2.113187
C 1.340001 -1.440015 0.367787
C 3.692457 0.066851 -2.952478
C 2.612273 -0.817265 -3.195671
C -0.894834 -2.116412 1.166980
C -1.986477 -3.034697 0.638193
H -6.378011 1.697206 -1.057176
H -4.985112 2.581815 -0.358061
H -4.942447 2.038051 -2.065826
H -6.180665 -0.788651 -1.624503
H -4.680682 -1.692518 -1.251435
H -4.700842 -0.515802 -2.597866
H -4.927998 0.854530 1.559066
H -6.283807 -0.051489 0.816181
H -4.753790 -0.899075 1.194418
H 3.265651 -0.337784 1.508370
H 1.571231 2.648451 -1.112566
H 0.941181 1.623736 3.062850
H -0.910618 2.341283 -1.568115
H -1.557513 1.363946 2.616095
H 4.886512 1.077058 -1.424419
H 1.040110 -2.023106 -2.298942
H 4.280009 0.458993 -3.789402
H 2.368273 -1.121416 -4.218868
H -0.449880 -1.210662 -0.707945
H -0.268067 -2.658816 1.901207
H -1.399308 -1.298305 1.712454
H -2.262355 -4.516259 -0.619994


