%chk=000051751.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051751

0 1
 S  -0.5992000       2.230500      0.7424000    
 O    2.254900      -1.369800      0.4204000    
 O    1.848200     -6.3299999E-02   2.271600    
 N  -0.3392000      -3.402900     -0.6539000    
 N   -6.151200      0.2339000     -0.2471000    
 C    1.932300      -3.732900      0.1988000    
 C    1.056600      -3.570700      -1.039600    
 C    1.822600      -2.527200       1.122300    
 C    1.793700       1.641800     -0.4978000    
 C    2.689900      0.9289000      0.2735000    
 C   -1.173300      -3.153700      -1.831100    
 C  -0.8201000      -4.582400      6.8099998E-02
 C   0.3350000       1.319200     -0.5228000    
 C    2.216700     -0.1990000       1.115200    
 C    2.264200       2.696600      -1.279900    
 C    4.038400       1.228200      0.2944000    
 C    3.621800       3.017200      -1.274900    
 C    4.508800       2.283000     -0.4878000    
 C   -2.260700       1.634300      0.4515000    
 C   -2.537700      0.2757000      0.5703000    
 C   -3.266000       2.531700      0.1039000    
 C   -4.843300      0.7050000     -9.4999997E-03
 C   -3.832000     -0.1900000      0.3391000    
 C   -4.560400       2.065900     -0.1271000    
 H    1.724800      -4.658800      0.7441000    
 H    2.971600      -3.813100     -0.1464000    
 H    1.188700      -4.443100      -1.693200    
 H    1.396400      -2.697400      -1.610600    
 H    2.479900      -2.684200       1.985900    
 H   0.8007000      -2.386200       1.491500    
 H   -2.213400      -2.975900      -1.535800    
 H   -1.152000      -3.990800      -2.538200    
 H  -0.8397000      -2.250200      -2.353700    
 H   -1.899700      -4.503600      0.2455000    
 H  -0.6419000      -5.512200     -0.4845000    
 H  -0.3767000      -4.667400       1.064500    
 H  -8.1200004E-02   1.573600      -1.505700    
 H   0.1742000      0.2421000     -0.4119000    
 H    1.585400       3.278900      -1.897700    
 H    4.734500      0.6605000      0.9050000    
 H    3.988100       3.838700      -1.883700    
 H    5.565700       2.532700     -0.4838000    
 H   -1.767500     -0.4390000      0.8487000    
 H   -3.062800       3.595100      6.5000001E-03
 H   -4.039600      -1.252800      0.4342000    
 H   -5.339800       2.773100     -0.3992000    
 H   -6.886100      0.8832000     -0.4943000    
 H   -6.358300     -0.7519000     -0.1566000    


%chk=000051751-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051751

0 1
S -0.375477 1.896787 0.814602
O 1.560210 -0.937135 0.623687
O 3.669099 -0.873976 1.594585
N -0.704954 -3.518779 -0.498530
N -6.062806 0.130092 -0.476268
C 1.568823 -3.424015 0.616148
C 0.767212 -3.532030 -0.699066
C 1.238747 -2.160739 1.419360
C 2.035915 1.667732 -0.643493
C 3.027113 0.921361 0.076328
C -1.423659 -3.252448 -1.763858
C -1.208574 -4.741520 0.162791
C 0.576168 1.300239 -0.759723
C 2.808043 -0.356430 0.835465
C 2.446011 2.872008 -1.278255
C 4.367056 1.400424 0.125275
C 3.776781 3.333462 -1.229430
C 4.748229 2.589851 -0.520655
C -2.073601 1.339307 0.371779
C -2.400096 -0.036021 0.266200
C -3.094017 2.303564 0.184061
C -4.753043 0.528865 -0.200339
C -3.718321 -0.437361 -0.024429
C -4.419184 1.909935 -0.089473
H 1.374618 -4.300149 1.265812
H 2.649789 -3.441031 0.382764
H 1.095223 -4.451262 -1.250397
H 1.022842 -2.663457 -1.333985
H 1.806556 -2.124434 2.364435
H 0.155417 -2.078698 1.597561
H -2.508853 -3.179778 -1.569393
H -1.265228 -4.046255 -2.537328
H -1.090224 -2.288126 -2.185930
H -2.300906 -4.660120 0.306379
H -1.004066 -5.672125 -0.426328
H -0.749435 -4.861645 1.158785
H 0.108619 1.817938 -1.611980
H 0.412049 0.218036 -0.815730
H 1.690859 3.456703 -1.816273
H 5.094250 0.810232 0.691964
H 4.052058 4.265525 -1.735370
H 5.786283 2.935049 -0.470324
H -1.629989 -0.803531 0.409926
H -2.845972 3.367900 0.256527
H -3.953455 -1.506530 -0.100130
H -5.197263 2.671676 -0.223357
H -6.803358 0.815906 -0.587684
H -6.304191 -0.853699 -0.546110


