%chk=000016177.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016177

0 1
 S   -3.593300      -1.388000      7.8699999E-02
 S    4.258800     -0.7666000     -7.9499997E-02
 O   -3.501800       1.600600      5.5900000E-02
 O   -4.281000      -1.204100      -1.392200    
 O    4.677300     -0.9408000       1.491300    
 O   -3.157100      -2.772200      0.1756000    
 O   -4.488200     -0.8182000       1.072400    
 O    5.175700      0.1844000     -0.6883000    
 O    4.105200      -2.105700     -0.6290000    
 N   -1.266100       3.209400      5.0000002E-04
 C   0.2604000     -0.2055000     -4.3000001E-03
 C   0.1537000       1.205800     -1.2500000E-02
 C   -1.119400       1.798300      8.0000004E-03
 C   -2.165800     -0.3769000      4.4000000E-02
 C  -0.9092000     -0.9824000      2.4100000E-02
 C    1.533500     -0.7981000     -2.4900001E-02
 C   -2.270800       1.010900      3.5999998E-02
 C    2.684800     -1.0700000E-02 -5.3300001E-02
 C    1.323200       1.982800     -4.1099999E-02
 C    2.579900       1.377000     -6.1400000E-02
 H  -0.8159000      -2.066000      2.7600000E-02
 H    1.615400      -1.883100     -1.0900000E-02
 H    1.310400       3.068000     -4.9300000E-02
 H    3.462900       2.009900     -7.5900003E-02
 H   -2.162500       3.631600     -0.1952000    
 H  -0.4671000       3.823800      3.9099999E-02
 H   -3.423500       2.508400      0.3887000    
 H   -3.729700      -1.495100      -2.156200    
 H    4.081900      -1.517200       2.026000    


%chk=000016177-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016177

0 1
S -3.711574 -1.230673 -0.017043
S 4.323822 -0.900809 -0.108260
O -3.450807 1.917209 0.124603
O -3.823443 -1.436421 -1.846752
O 4.597143 -0.904479 1.730649
O -3.555348 -2.680954 0.662789
O -4.939270 -0.245888 0.455747
O 5.440637 0.056386 -0.783474
O 4.127986 -2.425691 -0.611402
N -1.228441 3.340006 0.117085
C 0.255950 -0.149557 -0.015268
C 0.205050 1.304213 0.015999
C -1.072513 1.968755 0.065187
C -2.154429 -0.223741 0.014520
C -0.943693 -0.915542 -0.024229
C 1.530551 -0.805320 -0.041563
C -2.268531 1.193779 0.062125
C 2.675011 -0.027491 -0.045824
C 1.438892 2.038972 0.005279
C 2.673990 1.393925 -0.023620
H -0.915725 -2.008562 -0.047316
H 1.593393 -1.898483 -0.071876
H 1.433467 3.133728 0.015300
H 3.616410 1.947979 -0.048504
H -2.178106 3.708085 0.151471
H -0.442156 3.979359 0.148869
H -4.248960 1.296856 0.251038
H -4.603893 -2.034071 -2.043944
H 5.496287 -1.311269 1.902313


