%chk=000135641.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135641

0 1
 S   -5.429500     -5.0099999E-02  0.8015000    
 O   -6.618500     -0.6865000       1.337000    
 O   -4.662500      0.8771000       1.609500    
 N   0.8338000      0.1463000      -1.326900    
 N   -4.413900      -1.269600      0.1325000    
 N    4.224400       1.163800      0.9353000    
 C    1.981700      0.4790000     -0.5624000    
 C    2.881600     -0.5147000     -0.1541000    
 C  -0.4741000     -0.2076000     -0.9637000    
 C    4.005000     -0.1226000      0.6036000    
 C    2.205200       1.805400     -0.2222000    
 C   -3.082900     -0.9104000     -0.2386000    
 C    2.683600      -1.866800     -0.4819000    
 C   -1.427300     -0.4899000      -1.947300    
 C  -0.8358000     -0.2794000      0.3856000    
 C   -2.728100     -0.8403000      -1.585800    
 C   -2.136600     -0.6299000      0.7472000    
 C    3.331900       2.092200      0.5214000    
 C    4.898300      -1.110300       1.009600    
 C    3.593200      -2.833600     -6.3100003E-02
 C    4.701800      -2.454500      0.6837000    
 C    1.312500       2.885300     -0.6147000    
 C   -5.922100      0.7976000     -0.6829000    
 C    1.078500       4.019400      7.6499999E-02
 H    1.010400      0.1610000      -2.327200    
 H    1.829600      -2.197000      -1.067700    
 H   -1.165700     -0.4388000      -3.001400    
 H  -0.1188000     -6.8700001E-02   1.174800    
 H   -3.457600      -1.055500      -2.362400    
 H   -2.393900     -0.6927000       1.801300    
 H    3.595100       3.102700      0.8199000    
 H    5.774700     -0.8392000       1.595500    
 H   -4.875000      -1.904900     -0.5327000    
 H    3.437700      -3.877200     -0.3190000    
 H    5.416600      -3.202200       1.014600    
 H   0.7851000       2.762500      -1.557800    
 H   -6.639000       1.573200     -0.4037000    
 H   -5.046700       1.257400      -1.144100    
 H   -6.396200      8.4399998E-02  -1.359700    
 H   0.3888000       4.759100     -0.3173000    
 H    1.542100       4.229600       1.033700    


%chk=000135641-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000135641

0 1
S -5.714150 0.552740 0.541763
O -7.280535 0.113544 0.519387
O -5.051864 1.313645 1.815309
N 0.806631 -0.469480 -1.166314
N -4.642566 -1.153542 0.280866
N 4.108255 1.285312 0.951264
C 1.867388 0.121314 -0.429697
C 3.077805 -0.648731 -0.233082
C -0.551944 -0.581986 -0.802156
C 4.184682 -0.011791 0.449013
C 1.800803 1.447292 0.065934
C -3.304649 -0.943135 -0.129528
C 3.227047 -2.009208 -0.657024
C -1.474140 -1.085117 -1.766992
C -1.026956 -0.254448 0.502483
C -2.830873 -1.241081 -1.443243
C -2.376654 -0.440880 0.832194
C 2.959342 1.949887 0.762591
C 5.406329 -0.728831 0.635039
C 4.432336 -2.691253 -0.458105
C 5.534614 -2.044948 0.181658
C 0.650617 2.328517 -0.209043
C -5.395289 1.698785 -0.983933
C 0.309778 3.447655 0.489004
H 1.091590 -1.034283 -1.969759
H 2.381672 -2.540981 -1.108577
H -1.121318 -1.337751 -2.774670
H -0.331789 0.115157 1.260574
H -3.529793 -1.617576 -2.201339
H -2.740971 -0.219514 1.839739
H 2.940246 2.982207 1.131207
H 6.220762 -0.207832 1.147393
H -5.224203 -1.653532 -0.421295
H 4.528314 -3.733696 -0.780572
H 6.472861 -2.590187 0.329511
H 0.031118 2.043225 -1.069512
H -5.881018 2.649918 -0.725251
H -4.305666 1.799035 -1.080110
H -5.863764 1.210893 -1.849436
H -0.546130 4.059255 0.186271
H 0.849483 3.775002 1.385040


