%chk=000126514.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126514

0 1
 S   -2.507700      -2.310200     -0.1092000    
 O   0.4339000      -2.433900     -0.4684000    
 N    1.797600       1.851600     -0.7470000    
 N   -4.031100       1.080800      0.3027000    
 N   -1.919900      0.1529000     -1.8200001E-02
 N   -3.800200      -1.271700      0.1181000    
 C    2.330700     -0.1821000     -6.9999998E-04
 C   0.9640000     -0.1757000     -0.3971000    
 C    2.830100       1.101600     -0.2305000    
 C   0.6658000       1.088400     -0.8513000    
 C    3.193400      -1.160000      0.5332000    
 C   2.3600001E-02  -1.259400     -0.3521000    
 C    4.154500       1.457800      4.8000000E-02
 C   -1.431200      -1.019600     -0.1561000    
 C    4.520700     -0.8180000      0.8167000    
 C    4.991700      0.4714000      0.5770000    
 C   -3.281700     -4.3699998E-02  0.1361000    
 C   -3.442600       2.429500      0.3198000    
 C   -5.491600       1.040100      0.4792000    
 H  -0.2317000       1.528200      -1.262800    
 H    1.867600       2.823400      -1.015500    
 H    2.846100      -2.170000      0.7304000    
 H    4.522100       2.461300     -0.1382000    
 H    5.190500      -1.567900       1.229300    
 H    6.026300      0.7153000      0.8047000    
 H   -4.155400       3.182000      0.6736000    
 H   -3.121400       2.709800     -0.6887000    
 H   -2.577800       2.466500      0.9913000    
 H   -5.946700      0.2657000     -0.1480000    
 H   -5.958200       1.990100      0.1969000    
 H   -5.732700      0.8333000       1.526800    


%chk=000126514-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126514

0 1
S -2.501304 -2.333101 0.334646
O 0.452173 -2.374491 0.292250
N 1.935675 2.031805 -0.048082
N -4.288193 1.131527 0.104459
N -2.047096 0.266393 0.133554
N -3.916752 -1.232547 0.272794
C 2.488059 -0.184088 0.106411
C 1.031780 -0.051033 0.116535
C 3.029511 1.140214 0.001744
C 0.747866 1.326887 0.019499
C 3.374023 -1.288205 0.176747
C 0.080433 -1.150236 0.208792
C 4.414114 1.400670 -0.035768
C -1.390896 -0.887200 0.210244
C 4.761902 -1.038120 0.139941
C 5.276868 0.286010 0.035005
C -3.441984 0.047858 0.171288
C -3.740521 2.490639 -0.009715
C -5.744756 0.935104 0.135919
H -0.228490 1.805030 -0.001420
H 2.010522 3.044803 -0.124901
H 2.972357 -2.301157 0.257422
H 4.811231 2.418474 -0.116020
H 5.462155 -1.878841 0.193248
H 6.360875 0.442246 0.009159
H -4.581352 3.203096 -0.034216
H -3.145835 2.614424 -0.934495
H -3.091199 2.740001 0.850347
H -5.952444 -0.140858 0.239094
H -6.214206 1.301311 -0.797837
H -6.195816 1.470883 0.993355


