%chk=000227012.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227012

0 1
 S   -1.613900      -3.138700      0.6292000    
 O    3.703400       2.076200       1.298000    
 O    5.676100       1.965100     -8.1799999E-02
 O   -2.470300      -4.187900      0.1109000    
 O   -1.261700      -3.106300       2.035800    
 O   -3.342500       3.517900      0.8885000    
 N  -0.1891000      -3.064000     -0.3006000    
 N   -4.190400       2.027100     -0.7293000    
 N   0.7164000      -1.969800      4.1999999E-03
 C   -2.382600      -1.598300      0.2246000    
 C    3.685100       1.008000      0.4548000    
 C    4.811500      0.9447000     -0.3330000    
 C    2.838400     -0.9605000     -0.5710000    
 C    2.678700      6.8899997E-02  0.3598000    
 C   -2.102100     -0.4818000      0.9921000    
 C   -3.249500      -1.539500     -0.8521000    
 C   -3.585000      0.8118000     -0.4093000    
 C    4.993700     -6.1299998E-02  -1.259600    
 C    3.989300      -1.025200      -1.376000    
 C   -2.708300      0.7332000      0.6727000    
 C   -3.855600     -0.3245000      -1.171800    
 C    4.967900       2.677700      0.9528000    
 C    1.805000      -1.974600     -0.7097000    
 C   -4.042200       3.263600     -8.6499996E-02
 C   -4.872200       4.338200     -0.7427000    
 H    1.802800      0.1478000      0.9951000    
 H   -1.417600     -0.5230000       1.833900    
 H   -3.466800      -2.410400      -1.462500    
 H    5.882500     -0.1074000      -1.878600    
 H    4.111300      -1.827400      -2.100100    
 H   -2.448600       1.568700       1.307700    
 H   -4.535200     -0.2772000      -2.019000    
 H    5.597100       2.711000       1.849700    
 H    4.787000       3.703500      0.6117000    
 H  -0.1525000      -3.478300      -1.239600    
 H    1.976300      -2.767700      -1.460300    
 H   -4.816500       2.002300      -1.531600    
 H   -4.543600       4.479100      -1.776200    
 H   -4.754700       5.280400     -0.2004000    
 H   -5.927500       4.051600     -0.7304000    


%chk=000227012-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227012

0 1
S -1.503366 -2.906826 0.572780
O 3.930427 2.166554 0.949421
O 6.131982 1.714717 0.105363
O -2.362846 -4.203412 0.090295
O -0.878255 -2.785063 2.069434
O -3.861901 3.711808 0.869352
N -0.114307 -2.837846 -0.805803
N -4.671933 2.121199 -0.657966
N 0.873418 -1.944571 -0.494515
C -2.450938 -1.341972 0.199277
C 3.951393 0.922082 0.270864
C 5.252231 0.660927 -0.226656
C 3.159557 -1.140639 -0.680626
C 2.887231 0.054486 0.063564
C -2.183045 -0.195610 0.962796
C -3.416894 -1.383141 -0.820256
C -3.896777 0.977703 -0.331235
C 5.541258 -0.491208 -0.961466
C 4.468236 -1.392920 -1.181668
C -2.913786 0.980550 0.698158
C -4.143795 -0.208835 -1.080553
C 5.338876 2.634883 0.970153
C 2.107791 -2.127002 -0.930995
C -4.638026 3.397849 -0.077337
C -5.622598 4.395059 -0.681725
H 1.881069 0.250085 0.440092
H -1.431542 -0.226187 1.757764
H -3.602689 -2.307378 -1.375581
H 6.545186 -0.684988 -1.346244
H 4.655201 -2.310859 -1.750605
H -2.738290 1.894216 1.267696
H -4.907546 -0.212048 -1.867903
H 5.727175 2.575718 2.003076
H 5.387655 3.650769 0.547163
H 0.141760 -3.840406 -0.975238
H 2.386941 -3.018467 -1.526433
H -5.344451 1.992205 -1.417190
H -5.061060 5.265186 -1.062963
H -6.291246 4.763791 0.114938
H -6.237992 3.982588 -1.499828


