%chk=000032034.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032034

0 1
 S   -6.139000     -0.1488000     -0.1458000    
 O   -2.685100     -0.3183000     -3.4100000E-02
 N   0.4473000     -0.7823000     -1.2200000E-02
 C    1.520100      -1.725000     -0.2345000    
 C    2.639000      -1.550000      0.8044000    
 C  -0.5817000     -0.8943000      -1.042800    
 C   0.9701000      -3.147500     -0.2003000    
 C    3.532200     -0.3670000      0.5155000    
 C   -1.674000      0.1119000     -0.8086000    
 C    4.657100     -0.5429000     -0.2741000    
 C    3.210400      0.8721000       1.045400    
 C   -1.840200       1.385700      -1.232000    
 C   -3.546600      0.7293000      4.6399999E-02
 C   -3.072400       1.801300     -0.6733000    
 C    5.482300      0.5496000     -0.5410000    
 C    4.035600       1.964600      0.7785000    
 C   -4.757700      0.5149000      0.8509000    
 C    5.171400       1.803500     -1.4700000E-02
 C   -7.368800     -0.2568000       1.172000    
 H    1.953600      -1.560800      -1.230500    
 H    3.269000      -2.449700      0.8342000    
 H    2.223600      -1.467100       1.818400    
 H   3.0099999E-02 -0.9394000      0.9054000    
 H   -1.060900      -1.878800      -1.055400    
 H  -0.1510000     -0.7164000      -2.035800    
 H    1.790400      -3.875000     -0.1918000    
 H   0.3706000      -3.390700      -1.083000    
 H   0.3672000      -3.332000      0.6964000    
 H    4.906300      -1.514500     -0.6906000    
 H    2.329500       1.008500       1.666100    
 H   -1.175500       1.960500      -1.860400    
 H   -3.552600       2.763200     -0.7832000    
 H    6.366400      0.4242000      -1.159200    
 H    3.793800       2.940800       1.188700    
 H   -4.547800     -0.1850000       1.666900    
 H   -5.076900       1.462400       1.298100    
 H    5.813800       2.654200     -0.2227000    
 H   -7.026600     -0.9336000       1.959300    
 H   -8.303500     -0.6478000      0.7614000    
 H   -7.563300      0.7321000       1.595300    


%chk=000032034-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000032034

0 1
S -6.057154 -0.270524 0.155783
O -2.563701 -0.107987 -0.120127
N 0.347999 -0.909251 -0.175809
C 1.455561 -1.883867 -0.366691
C 2.524651 -1.684609 0.750928
C -0.506044 -0.669098 -1.367561
C 0.977999 -3.362607 -0.402842
C 3.413435 -0.460984 0.569371
C -1.602718 0.305684 -1.073101
C 4.801931 -0.618292 0.319503
C 2.885191 0.856629 0.637301
C -1.932612 1.570776 -1.529873
C -3.505394 0.943368 0.006377
C -3.144591 1.974507 -0.849253
C 5.643567 0.504143 0.139951
C 3.723477 1.979582 0.457228
C -4.624889 0.736166 0.955120
C 5.106258 1.809786 0.209435
C -7.128987 -0.439285 1.694677
H 1.927047 -1.640615 -1.339796
H 3.159104 -2.590934 0.786834
H 1.988653 -1.636276 1.721362
H -0.227769 -1.151038 0.645302
H -0.958982 -1.606262 -1.777007
H 0.124861 -0.239702 -2.167172
H 1.801453 -4.042932 -0.689862
H 0.156555 -3.502332 -1.129476
H 0.609709 -3.676440 0.593291
H 5.228079 -1.628644 0.268118
H 1.810506 0.981636 0.803867
H -1.371621 2.148574 -2.261485
H -3.684654 2.910594 -0.977210
H 6.713705 0.359826 -0.049517
H 3.298357 2.988753 0.512911
H -4.295857 0.167384 1.841472
H -5.043682 1.705751 1.269098
H 5.755947 2.682263 0.074507
H -6.591428 -0.994498 2.480818
H -8.023613 -1.006361 1.393148
H -7.434148 0.552216 2.067680


