%chk=000004347.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004347

0 1
 S    5.003900      0.7572000      0.1443000    
 O   -1.049900      -2.079600      0.6875000    
 O    5.212700       1.696600     -0.9486000    
 O    5.284000       1.166500       1.513500    
 N   -1.456200     -0.6943000      -1.127100    
 N    5.871900     -0.6766000     -0.1878000    
 C   0.7316000     -0.7523000     -6.2600002E-02
 C   -2.844000      -1.055600      -1.306300    
 C    3.359200      0.1763000      6.4599998E-02
 C   -3.761600     -0.1732000     -0.5104000    
 C  -0.6381000      -1.236600     -0.1290000    
 C    1.420800     -0.7739000       1.149800    
 C    1.356000     -0.2665000      -1.211400    
 C    2.734600     -0.3095000       1.213300    
 C    2.669900      0.1978000      -1.147800    
 C   -4.104600     -0.5309000      0.7882000    
 C   -4.259500      0.9929000      -1.080100    
 C   -4.957400      0.2887000       1.527500    
 C   -5.112200       1.812600     -0.3408000    
 C   -5.461200       1.460400      0.9630000    
 H   -2.986200      -2.106200      -1.026800    
 H   -3.068200     -0.9795000      -2.376500    
 H   -1.105400      4.6799999E-02  -1.724400    
 H   0.9513000      -1.145500       2.056900    
 H   0.8677000     -0.2621000      -2.181500    
 H    3.254500     -0.3406000       2.166800    
 H    3.141600      0.5593000      -2.057200    
 H   -3.722600      -1.442400       1.238700    
 H   -3.992800       1.277800      -2.094100    
 H   -5.229800      1.4100000E-02   2.542400    
 H   -5.504100       2.725300     -0.7800000    
 H   -6.125300       2.098600       1.538500    
 H    6.344700     -0.7480000      -1.097000    
 H    6.391000      -1.109700      0.5858000    


%chk=000004347-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000004347

0 1
S 5.223385 0.535890 0.476880
O -0.875663 -2.639135 0.239383
O 5.297061 2.068966 -0.067853
O 5.703626 0.083795 1.965720
N -1.508835 -0.662248 -0.814704
N 6.169852 -0.466005 -0.740858
C 0.830077 -0.942762 -0.083925
C -2.909620 -1.078357 -1.013988
C 3.454982 -0.074920 0.241343
C -3.906515 -0.061639 -0.469807
C -0.576121 -1.486433 -0.208153
C 1.670257 -1.556999 0.879783
C 1.336475 0.112896 -0.887111
C 2.999173 -1.121839 1.057875
C 2.666065 0.559593 -0.729416
C -3.795911 0.416835 0.861606
C -4.972703 0.401438 -1.279115
C -4.734999 1.339012 1.371912
C -5.917056 1.322065 -0.768864
C -5.799780 1.794381 0.557924
H -3.004658 -2.052636 -0.498728
H -3.100186 -1.254099 -2.090931
H -1.259606 0.294949 -1.067246
H 1.258602 -2.380286 1.471453
H 0.721213 0.576616 -1.666225
H 3.653698 -1.561931 1.816681
H 3.073424 1.380814 -1.327052
H -2.976140 0.059512 1.496272
H -5.066342 0.039832 -2.310966
H -4.641519 1.699194 2.402535
H -6.738044 1.671340 -1.404943
H -6.529192 2.509339 0.954437
H 6.695083 0.186125 -1.346852
H 6.776218 -1.125404 -0.225667


