%chk=000158286.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158286

0 1
 S  -0.2260000      -4.060700      7.3100001E-02
 S    5.377700      0.9364000       1.546800    
 O   -1.377400       2.568700     -0.3768000    
 O   -4.889300      -1.359000      0.5087000    
 O  -0.7962000      -4.772900      -1.281300    
 O    4.606300      0.1525000       2.753400    
 O    1.221600      -4.008100     -4.6900000E-02
 O  -0.8583000      -4.689600       1.219600    
 O    6.561400      0.1608000       1.217900    
 O    5.477900       2.340000       1.904500    
 N   0.6407000      0.9207000     -0.5190000    
 N   -3.069600      -3.196600      0.4101000    
 C   -1.701700      0.2357000     -0.1112000    
 C  -0.3450000     -6.4900003E-02 -0.2827000    
 C   -2.619000     -0.7917000      0.1195000    
 C    2.031000      0.8464000     -0.7153000    
 C    2.905200      0.9192000      0.3746000    
 C   -2.179800      -2.119600      0.1786000    
 C  -0.8270000      -2.414900      7.1000000E-03
 C    4.284000      0.8448000      0.1770000    
 C    2.552200      0.6987000      -2.005300    
 C   8.8299997E-02  -1.389700     -0.2230000    
 C   -2.151400       1.641300     -0.1762000    
 C   -3.585800       1.944300      5.7999999E-03
 C   -4.053100     -0.4885000      0.3025000    
 C   -4.503000      0.9170000      0.2367000    
 C    4.796800      0.6975000      -1.111800    
 C    3.930900      0.6244000      -2.203000    
 C    2.347300       1.076800       1.755300    
 C    1.649600      0.6170000      -3.193500    
 C   -4.025100       3.272300     -5.4099999E-02
 C   -5.859600       1.217700      0.4078000    
 C    6.267400      0.6143000      -1.362800    
 C   -5.377900       3.567500      0.1166000    
 C   -6.293200       2.542300      0.3473000    
 H   0.2933000       1.869700     -0.5984000    
 H    1.140100      -1.622400     -0.3586000    
 H    4.329800      0.5060000      -3.207800    
 H    2.907200       1.794800       2.360700    
 H    1.338400       1.504800       1.740900    
 H    2.264000      0.1076000       2.256100    
 H    2.211300      0.6403000      -4.133700    
 H    1.077100     -0.3160000      -3.174500    
 H   0.9582000       1.466200      -3.214800    
 H   -3.333500       4.091300     -0.2324000    
 H   -6.595300      0.4387000      0.5889000    
 H    6.659900     -0.3731000      -1.102300    
 H    6.482000      0.7517000      -2.430300    
 H    6.818100       1.416800     -0.8623000    
 H   -2.745700      -4.153000      0.4194000    
 H   -4.056800      -3.025400      0.5380000    
 H   -5.718100       4.597900      6.9899999E-02
 H   -7.345900       2.775000      0.4800000    
 H    4.500900     -0.8198000       2.626000    
 H  -0.4871000      -4.376800      -2.130000    


%chk=000158286-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158286

0 1
S 0.473992 -3.615971 0.631391
S 4.955925 -0.391072 1.506144
O -1.629094 2.707148 -1.019855
O -4.665928 -1.409984 1.079355
O 0.132332 -4.354935 -1.026948
O 3.632879 -1.475223 2.214085
O 2.065467 -3.308118 0.705825
O -0.221509 -4.543227 1.765991
O 6.145956 -1.341950 0.960331
O 5.232335 0.662338 2.694268
N 0.536997 1.319807 -0.819846
N -2.592789 -2.949300 1.222852
C -1.694920 0.440934 -0.181958
C -0.278613 0.285233 -0.380600
C -2.483690 -0.646026 0.347315
C 1.956739 1.190740 -0.913889
C 2.706560 0.830472 0.250782
C -1.881563 -1.925325 0.669716
C -0.477035 -2.024367 0.372767
C 4.051927 0.446042 0.030786
C 2.594072 1.381784 -2.173283
C 0.293119 -1.001497 -0.141999
C -2.322589 1.733296 -0.518781
C -3.771750 1.906930 -0.280995
C -3.928532 -0.467988 0.587645
C -4.548249 0.840905 0.256591
C 4.748829 0.611755 -1.192031
C 3.979396 1.130670 -2.267264
C 2.074725 0.932237 1.627444
C 1.796483 1.824292 -3.383236
C -4.391412 3.144683 -0.592554
C -5.936572 1.026625 0.477988
C 6.214248 0.295918 -1.422885
C -5.769464 3.320341 -0.369282
C -6.544020 2.258049 0.167956
H 0.004814 2.172828 -1.102018
H 1.348400 -1.179707 -0.365157
H 4.483397 1.295612 -3.226353
H 2.824352 1.247745 2.372691
H 1.257934 1.671689 1.603292
H 1.671612 -0.028491 1.989168
H 2.414064 1.805217 -4.295816
H 0.918176 1.172639 -3.542864
H 1.409914 2.854006 -3.260998
H -3.769937 3.945038 -1.004855
H -6.509202 0.191598 0.892033
H 6.407433 -0.789288 -1.382165
H 6.527908 0.679276 -2.407754
H 6.862924 0.747206 -0.652020
H -2.120132 -3.807384 1.524784
H -3.600947 -2.761254 1.373428
H -6.245827 4.276799 -0.608798
H -7.616211 2.397849 0.341472
H 3.370740 -2.213871 1.576561
H 0.604136 -5.238323 -1.073656


