%chk=000128604.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128604

0 1
 S   -2.767500       1.777400       1.041100    
 O   -5.118600      -2.814600      0.4148000    
 O   -1.446300     -0.9564000       2.029900    
 O    3.369700       1.942800     -0.8036000    
 N   -1.719800      -1.513900     -0.2024000    
 N    1.085200       2.004100     -0.3142000    
 C   -2.785200      -2.497000      1.2600000E-02
 C   -2.828300      -3.282200      -1.300300    
 C   -2.423800      -2.247300      -2.342200    
 C   -1.366200      -1.426500      -1.619400    
 C   -4.118200      -1.817800      0.3230000    
 C   -1.113100     -0.8512000      0.8497000    
 C   1.6200000E-02  3.7400000E-02  0.5105000    
 C  -8.1600003E-02   1.342600      0.1649000    
 C    1.311000     -0.6131000      0.5250000    
 C   -1.291000       2.144700      0.2372000    
 C    2.437000     -8.9999996E-03  0.1249000    
 C    2.351400       1.398500     -0.3719000    
 C   -1.373500       3.437700     -0.2588000    
 C   0.9445000       3.305000     -0.8107000    
 C   -6.395400      -2.255700      0.7034000    
 C  -0.2018000       4.000000     -0.8248000    
 C    3.723600     -0.7248000      0.1834000    
 C   -2.634400       4.063700     -0.1029000    
 C   -3.503200       3.247700      0.5808000    
 C    4.155400      -1.475500     -0.9105000    
 C    4.511400     -0.6524000       1.333000    
 C    5.373200      -2.153400     -0.8551000    
 C    5.729300      -1.330300       1.388300    
 C    6.160100      -2.080700      0.2942000    
 H   -2.516200      -3.161400      0.8426000    
 H   -3.792100      -3.747900      -1.522500    
 H   -2.072600      -4.077800      -1.275400    
 H   -2.046500      -2.696000      -3.265400    
 H   -3.282700      -1.615800      -2.597400    
 H  -0.3699000      -1.863500      -1.746500    
 H   -1.344100     -0.3853000      -1.952700    
 H   -4.382800      -1.094700     -0.4581000    
 H   -4.053400      -1.278000       1.274600    
 H    1.341900      -1.638100      0.8893000    
 H    1.839200       3.765000      -1.219000    
 H  -0.2251000       5.004600      -1.234800    
 H   -6.702200      -1.571100     -9.3300000E-02
 H   -7.121600      -3.070700      0.7632000    
 H   -6.376000      -1.732600       1.664400    
 H   -2.891800       5.058900     -0.4426000    
 H   -4.526000       3.459000      0.8591000    
 H    3.553500      -1.541300      -1.813800    
 H    4.189500     -7.0900001E-02   2.193500    
 H    5.709000      -2.737600      -1.707000    
 H    6.342300      -1.273700       2.283100    
 H    7.108400      -2.608400      0.3373000    


%chk=000128604-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128604

0 1
S -3.009397 1.937615 0.301430
O -5.124830 -2.909139 0.754704
O -1.834268 -0.376375 1.876501
O 3.430456 2.262304 -0.639972
N -1.718615 -1.593668 -0.102086
N 1.098153 2.246693 -0.286912
C -2.784324 -2.556779 0.314739
C -2.704846 -3.655411 -0.772439
C -2.244047 -2.887313 -2.038256
C -1.223930 -1.864102 -1.485174
C -4.164884 -1.868756 0.373414
C -1.290110 -0.586328 0.739208
C -0.086983 0.207421 0.284065
C -0.132119 1.598964 0.023031
C 1.154391 -0.468661 0.245219
C -1.298968 2.442608 -0.014604
C 2.392518 0.139883 -0.026151
C 2.417774 1.554743 -0.337268
C -1.241901 3.822679 -0.339087
C 1.158985 3.616045 -0.587611
C -6.451236 -2.363556 1.029530
C 0.038194 4.409643 -0.620217
C 3.651498 -0.653661 0.001312
C -2.532249 4.468896 -0.354613
C -3.568504 3.608930 -0.055745
C 4.782067 -0.310683 -0.795535
C 3.745905 -1.811920 0.828628
C 5.943332 -1.112171 -0.783455
C 4.908862 -2.608294 0.841563
C 6.015380 -2.266633 0.029187
H -2.561965 -2.937088 1.327391
H -3.676202 -4.161042 -0.889979
H -1.950720 -4.412931 -0.490028
H -1.792567 -3.543815 -2.800523
H -3.098898 -2.364084 -2.503700
H -0.206844 -2.300097 -1.457816
H -1.174914 -0.932154 -2.074723
H -4.436921 -1.436011 -0.616066
H -4.141061 -1.059316 1.129606
H 1.142986 -1.545994 0.444267
H 2.172758 3.964109 -0.793558
H 0.130504 5.470908 -0.863404
H -6.882832 -1.867891 0.133080
H -7.085515 -3.217544 1.315340
H -6.421788 -1.629930 1.862683
H -2.669560 5.528868 -0.579996
H -4.634068 3.822533 0.014111
H 4.745628 0.591763 -1.409226
H 2.919551 -2.073366 1.499691
H 6.797583 -0.829284 -1.409012
H 4.957731 -3.485700 1.496445
H 6.921707 -2.882412 0.040509


