%chk=000175651.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000175651

0 1
 S    1.118800       2.140500      0.5307000    
 O   -1.487100      -1.555800     -0.4102000    
 N   -3.288600     -0.1483000     -5.3700000E-02
 N    2.657300       1.527400      0.3897000    
 N   -1.057000      0.6697000      0.1589000    
 C    3.811800     -0.5266000     -0.1056000    
 C    2.508200      0.2697000      8.1500001E-02
 C    5.089900      0.3187000      0.1044000    
 C    3.886400      -1.101600      -1.539000    
 C    3.876100      -1.693300      0.9072000    
 C    1.249300     -0.3016000     -6.5399997E-02
 C   0.3071000      0.6765000      0.1684000    
 C   -4.301300      -1.158400     -0.3330000    
 C   -3.794300       1.178000      0.2944000    
 C   -1.903500     -0.4335000     -0.1155000    
 C   -4.700700      -1.905700      0.9225000    
 C   -3.972400       2.044300     -0.9353000    
 H    5.994500     -0.2843000     -3.7999999E-02
 H    5.140200       1.153900     -0.6046000    
 H    5.133300      0.7368000       1.117200    
 H    4.819600      -1.654000      -1.699000    
 H    3.060300      -1.792500      -1.741800    
 H    3.836700     -0.3016000      -2.287100    
 H    3.049100      -2.398400      0.7656000    
 H    4.808600      -2.260100      0.8040000    
 H    3.819400      -1.323600       1.937800    
 H    1.031200      -1.329900     -0.3175000    
 H   -5.171900     -0.6876000     -0.8020000    
 H   -3.890600      -1.874100      -1.053900    
 H   -4.766700       1.054500      0.7873000    
 H   -3.163800       1.669400       1.039500    
 H   -1.456200       1.582800      0.3345000    
 H   -3.836700      -2.399400       1.379700    
 H   -5.129300      -1.228900       1.668700    
 H   -5.447000      -2.671400      0.6893000    
 H   -3.021200       2.200200      -1.454100    
 H   -4.666900       1.587200      -1.647600    
 H   -4.371300       3.024200     -0.6553000    


%chk=000175651-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000175651

0 1
S 1.181522 2.448565 0.456886
O -1.342289 -1.416802 -0.414087
N -3.247012 -0.097016 -0.080726
N 2.815716 1.642912 0.328192
N -1.083721 0.867512 0.086281
C 3.823119 -0.588305 -0.098959
C 2.604620 0.333720 0.060919
C 5.146372 0.198067 0.073540
C 3.780403 -1.225965 -1.519007
C 3.740727 -1.708993 0.979207
C 1.240491 -0.131370 -0.063958
C 0.314846 0.885909 0.119404
C -4.115511 -1.263388 -0.374919
C -3.900067 1.170111 0.313696
C -1.868055 -0.292151 -0.153177
C -4.505102 -2.054513 0.891474
C -4.090218 2.166654 -0.855267
H 6.003357 -0.490539 -0.048479
H 5.231243 1.005593 -0.673799
H 5.205977 0.665207 1.071493
H 4.644122 -1.904323 -1.650189
H 2.856715 -1.811326 -1.676034
H 3.830154 -0.446842 -2.301048
H 2.811829 -2.299399 0.882882
H 4.599406 -2.397807 0.870294
H 3.769720 -1.277919 1.996311
H 0.941588 -1.153934 -0.282926
H -5.017505 -0.892338 -0.898112
H -3.564033 -1.921251 -1.066527
H -4.889030 0.911311 0.733097
H -3.344421 1.642176 1.148875
H -1.559860 1.760700 0.209293
H -3.602256 -2.466233 1.373372
H -5.035437 -1.418241 1.624343
H -5.171434 -2.896066 0.626886
H -3.127021 2.473465 -1.302240
H -4.695202 1.709767 -1.658061
H -4.612457 3.076254 -0.506230


