%chk=000013729.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013729

0 1
 S    1.343100       2.491500     -0.5873000    
 O    2.994800      -1.853100     -0.6896000    
 O   -2.755300      0.3929000     -0.3421000    
 O  -0.3896000      -2.076400     -0.9778000    
 O  -0.1278000      -2.436200       1.265400    
 O   -4.694400      0.1233000      0.8846000    
 N    1.659800     -6.2399998E-02  6.5399997E-02
 N    4.742500      0.6090000      0.3414000    
 C    2.288400       1.226300      0.2914000    
 C    3.515600      0.6494000     -0.4477000    
 C    2.757400     -0.7073000     -0.3861000    
 C   0.3472000     -0.3143000      0.3050000    
 C  -0.5423000      0.6891000      0.4950000    
 C  -0.1830000       2.167100      0.3592000    
 C   -1.997400      0.4897000      0.8454000    
 C  -7.6399997E-02  -1.722200      0.2841000    
 C   -4.105500      0.2087000     -0.1845000    
 C   -4.777200      0.1249000      -1.521700    
 H    2.444100       1.433600       1.357700    
 H    3.671000      0.9963000      -1.475700    
 H  -0.9855000       2.695800     -0.1663000    
 H  -8.5500002E-02   2.611600       1.355700    
 H    5.176400       1.522700      0.4658000    
 H    5.463100      6.3999998E-03 -5.4000001E-02
 H   -2.357300       1.324700       1.459700    
 H   -2.127000     -0.4237000       1.438400    
 H  -0.6793000      -3.011700      -1.037700    
 H   -4.377700     -0.7231000      -2.083500    
 H   -4.624700       1.057200      -2.071100    
 H   -5.851200     -2.5300000E-02  -1.379900    


%chk=000013729-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013729

0 1
S 0.782400 2.499033 -0.366462
O 3.152305 -1.791956 -0.615646
O -2.983068 -0.279069 -0.038255
O 0.309844 -2.412107 -0.955082
O -0.620890 -2.747249 1.148660
O -3.574324 1.980256 -0.032658
N 1.539153 -0.124675 0.201774
N 4.608971 1.157400 -0.233934
C 2.052902 1.269182 0.268421
C 3.274888 0.825174 -0.627666
C 2.724327 -0.642906 -0.427299
C 0.233711 -0.531364 0.502102
C -0.736108 0.378327 0.879284
C -0.489454 1.877625 0.916186
C -2.141969 -0.074286 1.206961
C -0.076537 -1.992317 0.312412
C -3.650203 0.838931 -0.546516
C -4.436755 0.467726 -1.783785
H 2.349265 1.561204 1.289520
H 3.092303 1.132107 -1.673341
H -1.426844 2.414708 0.697065
H -0.121965 2.206394 1.906117
H 5.261437 1.470831 -0.947279
H 5.023121 0.651165 0.546969
H -2.653549 0.673209 1.837494
H -2.163014 -1.065645 1.678843
H 0.194580 -3.397269 -1.038559
H -4.963655 -0.489149 -1.639343
H -3.743094 0.340542 -2.634554
H -5.151481 1.268674 -2.022229


