%chk=000064079.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064079

0 1
 S    3.175800      0.1080000     -9.5700003E-02
 O    3.793000      -1.078200     -0.6721000    
 O    3.449200       1.417700     -0.6705000    
 O   -3.250900      -1.835900      3.2900002E-02
 N   -1.682500       1.859800     -1.1600000E-02
 N    3.530100      0.1576000       1.575000    
 N   -3.600200      0.4316000      2.7200000E-02
 C    1.446400     -0.1325000     -6.1799999E-02
 C  -0.7926000      0.7833000     -2.3900000E-02
 C   -1.311200     -0.5217000     -9.9999998E-03
 C   0.5913000      0.9708000     -4.9800001E-02
 C   0.9241000      -1.426500     -4.8099998E-02
 C  -0.4562000      -1.626700     -2.2000000E-02
 C   -2.795200     -0.6968000      1.7700000E-02
 C   -3.021100       1.589600      1.2600000E-02
 H   0.9908000       1.981900     -5.4099999E-02
 H    1.576200      -2.295600     -5.0500002E-02
 H  -0.8422000      -2.641900     -9.9999998E-03
 H   -1.319100       2.804600     -2.2100000E-02
 H   -3.633600       2.505000      1.9700000E-02
 H    4.033000     -0.6416000       1.979700    
 H    3.795900       1.063800       1.979300    


%chk=000064079-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064079

0 1
S 3.238059 0.151614 -0.049708
O 3.921938 -1.132991 -0.775621
O 3.469035 1.695611 -0.520170
O -3.380313 -1.888126 0.048473
N -1.744609 1.863232 -0.062467
N 3.699510 0.075499 1.722925
N -3.689029 0.439924 -0.022054
C 1.372946 -0.134683 -0.011957
C -0.838386 0.791199 -0.031898
C -1.381027 -0.529820 0.002412
C 0.563498 1.001700 -0.035783
C 0.893488 -1.459197 0.004056
C -0.501072 -1.640802 0.013587
C -2.867820 -0.736676 0.012210
C -3.114561 1.625296 -0.057203
H 1.013198 2.000051 -0.083705
H 1.588203 -2.303863 -0.016349
H -0.948409 -2.639792 0.027202
H -1.395934 2.823519 -0.094679
H -3.744877 2.522779 -0.085441
H 4.330617 -0.729801 1.865995
H 4.116545 0.981628 1.992075


