%chk=000052540.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052540

0 1
 S   -1.999200       1.189200      -1.148500    
 S   -4.912200       1.546600     -0.7451000    
 O    7.051100     -0.3974000      1.7400000E-02
 O    5.344900      -1.888000     -0.1215000    
 N   -3.558500     -0.7645000     -7.6499999E-02
 C   0.9389000      0.9911000      0.2717000    
 C    2.425200       1.359800      0.2903000    
 C   6.0100000E-02   2.239400      0.4164000    
 C    3.358200      0.1523000      0.1345000    
 C   -1.438300       1.939200      0.4083000    
 C    4.848400      0.4892000      6.5300003E-02
 C   -4.778400      -1.419400      0.4022000    
 C   -2.360600      -1.602900      3.1500001E-02
 C   -3.558900      0.5460000     -0.5940000    
 C    5.735000     -0.7321000     -3.4000002E-02
 C   -4.986500      -1.189300       1.884900    
 C   -2.169400      -2.459200      -1.203200    
 H   0.7240000      0.2929000       1.089400    
 H   0.7239000      0.4689000     -0.6665000    
 H    2.629400       2.070600     -0.5201000    
 H    2.662600       1.873800       1.229800    
 H   0.3054000       2.740100       1.361500    
 H   0.2965000       2.953500     -0.3827000    
 H    3.079500     -0.3974000     -0.7739000    
 H    3.184000     -0.5376000      0.9703000    
 H   -1.676100       1.271400       1.243600    
 H   -1.994600       2.869500      0.5639000    
 H    5.041900       1.120500     -0.8089000    
 H    5.134100       1.040300      0.9684000    
 H   -5.650400      -1.058000     -0.1500000    
 H   -4.715700      -2.494100      0.1959000    
 H   -1.466800      -1.001000      0.2046000    
 H   -2.455900      -2.245600      0.9145000    
 H   -4.155600      -1.593000       2.472300    
 H   -5.067400     -0.1232000       2.119100    
 H   -5.905500      -1.680600       2.219600    
 H   -3.020200      -3.129800      -1.361000    
 H   -2.061200      -1.846900      -2.103800    
 H   -1.270100      -3.074700      -1.101900    
 H    7.631100      -1.187100     -3.2600001E-02


%chk=000052540-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052540

0 1
S -1.574791 -0.495758 1.722978
S -3.328800 1.678275 0.279885
O 7.076063 0.783964 -1.775234
O 6.388142 -0.868664 -0.297958
N -3.706188 -1.024548 0.129155
C 1.511663 0.800773 1.219142
C 2.574166 1.353922 0.243483
C 0.243751 1.679465 1.275482
C 3.845154 0.478869 0.179861
C -0.842590 1.171439 2.235676
C 4.890922 1.048476 -0.796892
C -4.843928 -0.791884 -0.804053
C -3.433901 -2.448826 0.468139
C -2.988324 0.034289 0.623731
C 6.146583 0.204689 -0.891984
C -6.177558 -0.578226 -0.059740
C -2.449243 -3.120311 -0.513138
H 1.951972 0.718536 2.235204
H 1.229114 -0.227162 0.913949
H 2.128474 1.435938 -0.769975
H 2.848375 2.386389 0.547182
H 0.522043 2.703083 1.606261
H -0.197872 1.788101 0.266489
H 3.578513 -0.550802 -0.126206
H 4.293205 0.390873 1.188272
H -0.453497 0.985968 3.253011
H -1.698791 1.867942 2.276654
H 4.471245 1.143105 -1.818233
H 5.192706 2.074067 -0.506394
H -4.606636 0.097987 -1.411697
H -4.902091 -1.670490 -1.473564
H -3.048905 -2.506412 1.501371
H -4.406410 -2.974689 0.456756
H -6.430666 -1.445205 0.577618
H -6.114101 0.322056 0.574261
H -6.997484 -0.435658 -0.787060
H -2.827842 -3.078624 -1.550425
H -1.465929 -2.621495 -0.480333
H -2.309687 -4.182703 -0.241875
H 7.885846 0.205749 -1.818597


