%chk=000135518.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135518

0 1
 S    3.312000       2.688700     -0.4733000    
 O    1.166700     -0.8240000      0.9270000    
 O    2.337000      -3.485500     -3.1500001E-02
 O    2.943700       1.239000      0.2635000    
 O   -2.646700      -2.368800      0.6338000    
 O   -4.153600       1.882700     -0.2622000    
 N   -1.059600     -0.7082000      0.2165000    
 N   -3.384500     -0.2440000      0.1848000    
 C    2.043100      -2.276900     -0.7288000    
 C   7.4500002E-02  -1.571200      0.3731000    
 C   0.5516000      -2.162600     -0.9433000    
 C    2.356900      -1.078700      0.1563000    
 C    2.676900      0.1793000     -0.6407000    
 C  -0.8374000      0.6288000     -8.7200001E-02
 C   -2.375400      -1.196600      0.3651000    
 C   -1.805200       1.537700     -0.2592000    
 C   -3.219100       1.099000     -0.1179000    
 C   -1.543800       2.972900     -0.5859000    
 C    3.562700       3.688300       1.010000    
 H    2.615900      -2.286700      -1.660900    
 H  -0.1641000      -2.372900       1.082200    
 H   0.3497000      -1.481200      -1.778700    
 H   5.5799998E-02  -3.114300      -1.158700    
 H    3.161300      -1.288000      0.8702000    
 H    1.861900      0.4514000      -1.319400    
 H    3.571500     -7.1000000E-03  -1.249100    
 H    2.069100      -4.224200     -0.6045000    
 H   0.1845000      0.9574000     -0.1826000    
 H   -4.340500     -0.5729000      0.2874000    
 H   -2.007800       3.238100      -1.541300    
 H  -0.4726000       3.186500     -0.6663000    
 H   -1.954500       3.623300      0.1932000    
 H    3.822400       4.710600      0.7243000    
 H    4.374600       3.271200       1.611300    
 H    2.647400       3.709000       1.607300    


%chk=000135518-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000135518

0 1
S 2.590573 3.133493 -0.353684
O 1.014979 -0.898951 1.175213
O 2.683945 -3.261754 0.295519
O 2.287471 1.511041 0.448296
O -2.418713 -2.530774 -0.548742
O -4.329970 1.737888 -0.839336
N -1.141888 -0.677939 0.119596
N -3.337289 -0.369147 -0.668830
C 2.146346 -2.163368 -0.516366
C -0.029078 -1.631341 0.479625
C 0.623430 -2.286872 -0.770212
C 2.256019 -0.897344 0.358374
C 2.394457 0.376807 -0.492742
C -1.035847 0.701237 0.324090
C -2.314772 -1.279331 -0.377409
C -2.053650 1.580212 0.023647
C -3.314109 1.053578 -0.518042
C -1.940338 3.069424 0.240991
C 4.339911 3.393960 0.270643
H 2.712428 -2.071318 -1.466628
H -0.456199 -2.377508 1.169128
H 0.334647 -1.734869 -1.681855
H 0.287530 -3.328380 -0.892217
H 3.085531 -0.974770 1.078626
H 1.600542 0.446419 -1.263502
H 3.383151 0.374362 -0.996103
H 2.463217 -4.126314 -0.134342
H -0.084134 1.028458 0.754378
H -4.205181 -0.774812 -1.033463
H -2.141707 3.617796 -0.697158
H -0.936683 3.345132 0.606972
H -2.693431 3.417794 0.971454
H 4.639029 4.402438 -0.065241
H 5.022571 2.643385 -0.155457
H 4.341612 3.351470 1.369278


