%chk=000163644.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163644

0 1
 S   0.8939000      -1.352600       1.726800    
 O    4.032000     -0.3166000     -8.8200003E-02
 O    4.551500       1.105900       1.651700    
 N  -0.4552000      -1.348500     -0.4818000    
 N   -1.621100     -0.4745000       1.454100    
 N   -3.812200      0.3031000       1.264500    
 N   -5.012700      0.2803000     -0.8258000    
 C   0.7987000      -1.889900     -0.8026000    
 C   -1.558300      -1.148800      -1.416000    
 C    1.644400      -1.967400      0.2502000    
 C  -0.6028000     -0.9919000      0.8496000    
 C    3.044400      -2.476300      0.3119000    
 C   -2.749600     -0.5455000     -0.7251000    
 C    4.025600      -1.420900      0.8071000    
 C    1.086100      -2.315100      -2.207800    
 C   -2.745800     -0.2389000      0.6359000    
 C    2.949200       2.143000      -1.277900    
 C    1.866800       2.573600     -0.2830000    
 C    4.313700       1.959800     -0.6137000    
 C   0.5085000       2.715600     -0.9702000    
 C   -3.921600     -0.2595000      -1.405000    
 C    4.312400      0.9034000      0.4692000    
 C  -0.5796000       3.099300      2.0000000E-02
 C   -4.890500      0.5320000      0.4903000    
 C   -6.077800       1.130600       1.165900    
 H   -1.239100     -0.4775000      -2.221800    
 H   -1.850700      -2.112200      -1.849700    
 H    3.085800      -3.349400      0.9744000    
 H    3.377000      -2.819600     -0.6723000    
 H    3.793400      -1.125200       1.836400    
 H    5.034300      -1.849900      0.8119000    
 H    2.091100      -2.722200      -2.337700    
 H   0.3799000      -3.090200      -2.523300    
 H   0.9927000      -1.462700      -2.888900    
 H    2.645600       1.207000      -1.762600    
 H    3.039500       2.897100      -2.068800    
 H    2.149600       3.527200      0.1789000    
 H    1.782000       1.836300      0.5235000    
 H    5.071100       1.687500      -1.357500    
 H    4.638800       2.904600     -0.1624000    
 H   0.5657000       3.475100      -1.758300    
 H   0.2351000       1.769000      -1.450700    
 H   -4.020300     -0.4625000      -2.466700    
 H   -1.547000       3.168500     -0.4872000    
 H  -0.3656000       4.069600      0.4792000    
 H  -0.6661000       2.355300      0.8176000    
 H   -5.977500       2.219600       1.192000    
 H   -7.000200      0.8765000      0.6341000    
 H   -6.165600      0.7608000       2.192300    


%chk=000163644-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163644

0 1
S 0.724759 -1.826281 1.956337
O 3.995091 -0.299356 -0.075859
O 4.961429 1.130189 1.488108
N -0.465433 -1.365176 -0.343615
N -1.864602 -0.930088 1.615158
N -3.982394 0.105971 1.359960
N -4.887389 0.676677 -0.833232
C 0.844307 -1.784281 -0.701805
C -1.573657 -1.191196 -1.319818
C 1.635158 -2.079452 0.382313
C -0.749177 -1.309299 1.025199
C 3.078902 -2.495422 0.436856
C -2.750570 -0.487705 -0.659146
C 4.027325 -1.389925 0.935033
C 1.231706 -1.829385 -2.155750
C -2.877143 -0.445198 0.771103
C 2.960004 2.054837 -1.416856
C 1.825168 2.424679 -0.435964
C 4.360051 1.990670 -0.754063
C 0.439604 2.482724 -1.118963
C -3.778054 0.109944 -1.404548
C 4.481546 0.949824 0.346932
C -0.704941 2.819305 -0.139294
C -4.945511 0.629205 0.540089
C -6.165218 1.212899 1.207517
H -1.206835 -0.606206 -2.183276
H -1.878104 -2.190222 -1.701450
H 3.203085 -3.367054 1.110277
H 3.408608 -2.823492 -0.565251
H 3.720546 -0.982638 1.914723
H 5.064880 -1.761937 1.017978
H 2.258214 -2.208250 -2.267794
H 0.560092 -2.483156 -2.742498
H 1.204459 -0.820055 -2.609078
H 2.740991 1.075549 -1.883527
H 2.999451 2.801821 -2.234887
H 2.043245 3.405808 0.033955
H 1.788893 1.684758 0.389571
H 5.121007 1.756615 -1.524881
H 4.629777 2.962086 -0.304871
H 0.465290 3.232078 -1.936786
H 0.237411 1.502964 -1.602399
H -3.735393 0.144477 -2.501452
H -1.683308 2.852998 -0.652864
H -0.539646 3.803850 0.336867
H -0.774860 2.066744 0.668256
H -5.881018 2.080843 1.829859
H -6.897072 1.530148 0.450095
H -6.621173 0.471010 1.886241


