%chk=000097343.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097343

0 1
 S    6.346000     -0.3504000      0.6715000    
 O    1.687800      0.1361000      5.2999998E-03
 O  -0.6099000      -1.207800      0.2349000    
 N   -1.849200      0.7584000     -0.1150000    
 N   0.4532000      0.8002000     -0.1144000    
 N    4.328100     -0.6058000     -0.9239000    
 C   -3.174000      0.3265000     -4.4500001E-02
 C    2.728000       1.090400     -0.1572000    
 C    4.052800      0.3970000     -3.2000002E-02
 C   -4.215100       1.240700     -0.2071000    
 C   -3.457700      -1.019300      0.1880000    
 C   -5.539600      0.8090000     -0.1369000    
 C   -4.782200      -1.450900      0.2580000    
 C  -0.6703000      8.9999998E-04  2.0700000E-02
 C   -5.823200     -0.5366000      9.5500000E-02
 C    5.002600      0.6901000      0.9037000    
 C    5.522900      -1.078500     -0.6465000    
 H    2.634200       1.874300      0.6046000    
 H    2.659500       1.551000      -1.150400    
 H   -1.717500       1.752100     -0.2880000    
 H   -4.008800       2.292400     -0.3890000    
 H   -2.707600      -1.785800      0.3233000    
 H   -6.350200       1.520700     -0.2635000    
 H   -5.004600      -2.498600      0.4389000    
 H   -6.854500     -0.8727000      0.1500000    
 H    4.988600       1.432600       1.689000    
 H   0.4478000       1.798400     -0.2916000    
 H    5.969100      -1.883300      -1.214500    


%chk=000097343-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097343

0 1
S 5.902032 -1.295599 0.604218
O 1.793743 0.290226 -1.027002
O -0.303525 -0.451094 0.630011
N -1.830866 0.609031 -0.843105
N 0.472144 0.864159 -1.152789
N 4.953343 0.968677 -0.437596
C -3.088236 0.267960 -0.266383
C 2.502779 0.937623 0.140646
C 3.866330 0.323386 0.188356
C -4.251337 0.800608 -0.887318
C -3.221177 -0.568985 0.873858
C -5.530947 0.501637 -0.378257
C -4.510996 -0.856620 1.370518
C -0.552827 0.257200 -0.384989
C -5.670681 -0.330400 0.756899
C 4.173627 -0.887191 0.795069
C 6.070001 0.281040 -0.317723
H 1.913195 0.718836 1.046181
H 2.565957 2.024580 -0.038767
H -1.886130 1.216210 -1.664272
H -4.153781 1.448522 -1.768923
H -2.326594 -0.976121 1.347941
H -6.417072 0.919743 -0.868599
H -4.605772 -1.503230 2.250304
H -6.664260 -0.563327 1.153839
H 3.497391 -1.559204 1.319201
H 0.318630 1.166058 -2.120618
H 7.041231 0.577376 -0.711799


