%chk=000138524.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138524

0 1
 S   0.3718000      -1.682600     -0.2680000    
 O   0.4248000      -2.034100      -1.671800    
 O   0.6803000      -2.638400      0.7743000    
 N   -1.151000     -0.9697000      5.7100002E-02
 C   -3.220800      0.9601000      0.4014000    
 C   -1.735000     -0.1289000      -1.044200    
 C   -3.231200      6.6000000E-03 -0.7910000    
 C   -2.225600       2.040100     -4.7699999E-02
 C   -1.233500       1.317700     -0.9746000    
 C   -2.712100      0.1885000       1.629800    
 C   -1.310700     -0.3939000       1.429200    
 C    1.613700     -0.4103000     -6.7699999E-02
 C    2.179700     -0.2379000       1.172100    
 C    1.956100      0.3477000      -1.161200    
 C    3.148100      0.7537000       1.328100    
 C    2.924700       1.339300      -1.005100    
 C    3.520800       1.542300      0.2395000    
 H   -4.211700       1.378000      0.6040000    
 H   -1.553700     -0.5879000      -2.019600    
 H   -3.719000     -0.9485000     -0.5699000    
 H   -3.734600      0.4646000      -1.650900    
 H   -1.725000       2.528100      0.7951000    
 H   -2.748000       2.819800     -0.6148000    
 H   -1.269400       1.778200      -1.968900    
 H  -0.2273000       1.447000     -0.5889000    
 H   -3.411300     -0.6299000       1.845300    
 H   -2.711000      0.8395000       2.511900    
 H  -0.5708000      0.3946000       1.596400    
 H   -1.141400      -1.176400       2.176600    
 H    1.897600     -0.8338000       2.033500    
 H    1.501200      0.2083000      -2.136100    
 H    3.610500      0.9137000       2.297800    
 H    3.213600       1.954500      -1.852300    
 H    4.274100       2.315100      0.3613000    


%chk=000138524-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000138524

0 1
S 0.405390 -1.660561 -0.256696
O 0.385508 -2.081117 -1.830217
O 0.612426 -2.729129 0.951804
N -1.283675 -0.900842 0.069611
C -3.427055 0.903606 0.417745
C -1.818171 -0.066392 -1.051097
C -3.353285 -0.036724 -0.815093
C -2.507774 2.089759 -0.017066
C -1.436825 1.449115 -0.970004
C -2.852704 0.144572 1.645109
C -1.375235 -0.277636 1.414999
C 1.798098 -0.370366 -0.055697
C 2.375308 -0.217500 1.215878
C 2.213573 0.339808 -1.194322
C 3.419739 0.727083 1.353594
C 3.261505 1.276613 -1.037593
C 3.855985 1.472369 0.232362
H -4.456045 1.239477 0.638705
H -1.524463 -0.552870 -1.995393
H -3.764391 -1.043125 -0.633895
H -3.858212 0.408966 -1.693509
H -2.046665 2.590319 0.854501
H -3.102187 2.851477 -0.553614
H -1.487801 1.889972 -1.982104
H -0.404007 1.595857 -0.606381
H -3.461812 -0.758536 1.835036
H -2.890980 0.777837 2.552502
H -0.718656 0.617241 1.512792
H -1.063327 -1.023663 2.165491
H 2.041853 -0.840366 2.052425
H 1.753966 0.140925 -2.168147
H 3.896364 0.870096 2.329100
H 3.617662 1.841901 -1.905225
H 4.669794 2.196934 0.345100


