%chk=000058706.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058706

0 1
 S   -3.956700     -0.9706000      0.1655000    
 O   0.6915000     -0.6730000     -5.1899999E-02
 O   0.3121000     -0.9349000      -2.305000    
 O   -2.135900     -0.1117000      -2.162900    
 N    3.980500      0.4689000     -0.5820000    
 N   -4.165800      -2.381100       1.019500    
 C    2.769900      -1.071600       1.125000    
 C    2.044900      -1.072500     -0.2330000    
 C    2.846500      0.3757000       1.641900    
 C    4.207500      -1.549900      0.8773000    
 C    2.763200     -0.1104000      -1.196100    
 C    3.581700       1.247000      0.6109000    
 C    4.876200     -0.6299000     -0.1575000    
 C  -8.4200002E-02 -0.6442000      -1.181400    
 C   -1.506500     -0.1746000     -0.8719000    
 C   -1.507100       1.224100     -0.2493000    
 C   -2.311800      -1.218300     -8.3800003E-02
 C   -1.615900       1.335700       1.117500    
 C   -1.398700       2.314500      -1.080700    
 C   -1.879600      -2.360800      0.4651000    
 C   -1.616300       2.610000       1.684800    
 C   -1.399000       3.588700     -0.5133000    
 C   -2.988500      -2.997700       1.091700    
 C   -1.507800       3.736400      0.8696000    
 H    2.251800      -1.704700       1.852900    
 H    2.054500      -2.093900     -0.6370000    
 H    3.379000      0.4035000       2.600000    
 H    1.840800      0.7734000       1.820900    
 H    4.205500      -2.584100      0.5134000    
 H    4.776200      -1.535500       1.814700    
 H    3.052900     -0.6492000      -2.107300    
 H    2.122800      0.7164000      -1.526600    
 H    2.943600       2.087300      0.3097000    
 H    4.468500       1.702100       1.069500    
 H    5.802100     -0.2125000      0.2576000    
 H    5.185000      -1.214000      -1.033500    
 H   -2.155000      -1.008400      -2.540200    
 H   -1.667100      0.4817000       1.784100    
 H   -1.299100       2.220800      -2.157300    
 H  -0.8747000      -2.758600      0.4480000    
 H   -1.692500       2.725100       2.762100    
 H   -1.310700       4.465900      -1.147600    
 H   -2.956200      -3.940700       1.620300    
 H   -1.505200       4.728400       1.311600    


%chk=000058706-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058706

0 1
S -4.039105 -1.642149 -0.346914
O 0.667275 -0.663706 -0.225600
O 0.136264 -1.050231 -2.461194
O -2.362143 -0.151931 -2.218926
N 3.991771 0.619607 -0.329806
N -4.086216 -2.798279 1.043026
C 2.746660 -1.312542 0.893333
C 2.106985 -1.049967 -0.483109
C 2.703190 -0.021352 1.756417
C 4.228809 -1.711637 0.634866
C 2.882193 0.120648 -1.184620
C 3.436259 1.123861 0.965533
C 4.950326 -0.496341 -0.060342
C -0.179575 -0.690128 -1.298750
C -1.630088 -0.221399 -0.952740
C -1.586271 1.198389 -0.339860
C -2.303143 -1.254362 -0.062437
C -1.511486 1.410163 1.056652
C -1.574769 2.310359 -1.216522
C -1.831328 -1.981470 1.022295
C -1.422113 2.722815 1.571429
C -1.483663 3.621343 -0.699551
C -2.855932 -2.817858 1.595528
C -1.403928 3.832913 0.696185
H 2.212698 -2.135233 1.401428
H 2.084516 -1.960380 -1.109367
H 3.201426 -0.220122 2.723512
H 1.656577 0.255895 1.971129
H 4.279100 -2.619691 0.003484
H 4.706704 -1.961183 1.600013
H 3.295588 -0.218235 -2.149926
H 2.189555 0.957305 -1.388553
H 2.741946 1.951207 0.734905
H 4.273399 1.543985 1.550746
H 5.759676 -0.097571 0.576209
H 5.402599 -0.798686 -1.021983
H -1.844480 -0.681332 -2.890393
H -1.537662 0.559521 1.744316
H -1.669248 2.137740 -2.292307
H -0.804976 -1.929723 1.386621
H -1.374839 2.877904 2.655147
H -1.482625 4.475935 -1.385304
H -2.709797 -3.481740 2.453496
H -1.337727 4.850456 1.097237


