%chk=000102339.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102339

0 1
 S  -6.8999999E-03   1.173900       1.025000    
 S   -2.684000       3.427000      0.8306000    
 P   -1.855000       1.775200      0.1717000    
 O   -2.871800      0.4982000      0.2679000    
 O   -1.658200       1.785500      -1.451700    
 O  -0.1232000      -1.962600       1.357600    
 O    2.581300      -1.078300      0.9724000    
 N  -0.9354000      -1.867300     -0.8115000    
 N    2.847800      0.5825000     -0.6213000    
 C   0.6053000     -0.1512000     -6.8300001E-02
 C  -0.1739000      -1.416400      0.2567000    
 C    2.102300     -0.2836000      0.1648000    
 C   -1.760500      -3.049800     -0.7291000    
 C    4.289600      0.6271000     -0.5574000    
 C  -0.9402000      -4.311900     -0.8990000    
 C    4.767600       1.434500      0.6317000    
 C   -3.360300      6.3600004E-02   1.526300    
 C  -0.8244000       2.753500      -2.066600    
 H   0.4374000      0.1448000      -1.108300    
 H  -0.9214000      -1.361500      -1.692000    
 H    2.375700       1.223900      -1.251700    
 H   -2.270600      -3.059600      0.2399000    
 H   -2.517100      -2.978000      -1.516700    
 H    4.675200     -0.3961000     -0.4980000    
 H    4.645400       1.076200      -1.489800    
 H   -1.585800      -5.194500     -0.8595000    
 H  -0.1854000      -4.406600     -0.1115000    
 H  -0.4176000      -4.312100      -1.861400    
 H    5.860800       1.479900      0.6471000    
 H    4.431800      0.9930000       1.575700    
 H    4.382500       2.458900      0.5891000    
 H   -3.711600     -0.9663000       1.425300    
 H   -4.199000      0.6932000       1.833300    
 H   -2.574800      9.5200002E-02   2.285000    
 H  -0.5207000       2.377800      -3.046900    
 H   7.0400000E-02   2.940600      -1.468200    
 H   -1.380900       3.684100      -2.202100    


%chk=000102339-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000102339

0 1
S -0.240509 0.942257 1.165212
S -2.153509 4.037982 1.454880
P -1.833002 2.376080 0.280073
O -3.136896 1.349693 -0.172090
O -1.312514 2.600912 -1.363100
O -1.646263 -1.708039 0.823782
O 1.785370 -1.152545 -1.703762
N -0.182682 -2.683814 -0.701369
N 2.253172 0.763428 -0.478937
C -0.030993 -0.231617 -0.327303
C -0.676604 -1.624438 0.007931
C 1.420911 -0.246659 -0.874231
C -0.728191 -4.043678 -0.540472
C 3.649405 0.878697 -0.940657
C -0.005744 -4.845392 0.564452
C 4.660980 0.684498 0.207314
C -3.858764 0.621014 0.912169
C -0.518875 3.804012 -1.689497
H -0.656209 0.207514 -1.132324
H 0.616051 -2.490381 -1.332238
H 1.888035 1.427180 0.215466
H -1.799398 -3.949324 -0.290891
H -0.642456 -4.562165 -1.512988
H 3.789073 0.110584 -1.719514
H 3.789472 1.870941 -1.411472
H -0.441040 -5.858145 0.649279
H -0.117640 -4.338114 1.538078
H 1.071875 -4.949291 0.343964
H 5.691985 0.782186 -0.177807
H 4.552706 -0.317077 0.657980
H 4.523660 1.439394 1.003357
H -4.735889 0.198185 0.400837
H -4.178314 1.323286 1.703320
H -3.210998 -0.182346 1.302285
H -0.506431 3.830974 -2.788915
H 0.511662 3.713171 -1.299074
H -0.997036 4.713837 -1.284640


