%chk=000133639.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133639

0 1
 S    4.655700      0.9096000     -0.4585000    
 O    2.709300       1.995300      0.9514000    
 O   0.1331000      -1.951300       1.113800    
 O   -5.168300      0.8279000     -0.5709000    
 N   0.9462000     -4.1000001E-02  5.3700000E-02
 N   -3.667300     -0.8829000     -0.1683000    
 C    2.346100     -0.3047000      0.2215000    
 C    2.948500      -1.015700     -0.9850000    
 C    4.453800     -0.8376000     -0.9081000    
 C    3.087200       1.005100      0.3445000    
 C  -4.6700001E-02 -0.8893000      0.5155000    
 C   -1.395900     -0.4035000      0.2270000    
 C   -2.385300      -1.296900      0.1025000    
 C   -1.674500       1.003700      7.6600000E-02
 C   -2.915700       1.434800     -0.1873000    
 C   -4.026100      0.4466000     -0.3286000    
 H    2.513500     -0.8852000       1.136500    
 H    2.567000     -0.5866000      -1.922300    
 H    2.676800      -2.077200     -0.9957000    
 H    4.887600      -1.465200     -0.1236000    
 H    4.944100      -1.059700      -1.859400    
 H   0.7086000      0.7690000     -0.5090000    
 H   -2.257400      -2.368400      0.1975000    
 H  -0.8972000       1.744800      0.2228000    
 H   -4.383500      -1.598000     -0.2546000    
 H   -3.149300       2.488300     -0.2844000    


%chk=000133639-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000133639

0 1
S 4.993841 0.718110 -0.158349
O 2.818973 2.125538 0.784750
O 0.277495 -2.047756 0.170084
O -5.474957 0.635368 -0.151892
N 1.004954 0.148764 0.035451
N -3.733970 -0.918267 0.048881
C 2.404595 -0.241344 0.186650
C 3.022602 -1.035515 -0.985371
C 4.545725 -1.043738 -0.746091
C 3.255995 1.033199 0.368829
C 0.000224 -0.804188 0.076497
C -1.408821 -0.311357 0.000559
C -2.412737 -1.272568 0.104310
C -1.819415 1.062966 -0.172198
C -3.158166 1.415871 -0.227182
C -4.225395 0.426209 -0.115903
H 2.518891 -0.856278 1.107766
H 2.782146 -0.530106 -1.938147
H 2.612297 -2.057968 -1.013132
H 4.842595 -1.746728 0.048472
H 5.125617 -1.241341 -1.658943
H 0.806006 1.150054 0.118460
H -2.152805 -2.327527 0.231308
H -1.071789 1.858522 -0.274603
H -4.467630 -1.631015 0.127273
H -3.475972 2.452995 -0.359880


