%chk=000070142.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070142

0 1
 S    2.507300     -9.9299997E-02 -9.6299998E-02
 O    2.850400      -1.365200     -0.7285000    
 O    3.072500       1.141200     -0.6092000    
 N   -3.420100      0.3663000     -3.0500000E-02
 N   -4.228900     -0.7193000      0.2117000    
 C   0.7667000      3.7700001E-02 -7.6700002E-02
 C   0.1665000       1.295500     -2.0099999E-02
 C  -2.3499999E-02  -1.110900     -0.1178000    
 C   -2.014200      0.2561000     -4.5800000E-02
 C   -1.224000       1.404700     -4.4999998E-03
 C   -1.414000      -1.001800     -0.1024000    
 C    2.961300     -0.2049000       1.620100    
 H   0.7629000       2.202700      1.9099999E-02
 H   0.4227000      -2.100700     -0.1566000    
 H   -1.679600       2.390600      4.1200001E-02
 H   -1.996900      -1.918000     -0.1413000    
 H    2.488800      -1.085800       2.058700    
 H    4.048000     -0.2979000       1.678000    
 H    2.637700      0.7044000       2.130000    
 H   -3.820600       1.292200      6.8899997E-02
 H   -5.143700     -0.5409000     -0.2004000    
 H   -4.382900     -0.7930000       1.216600    


%chk=000070142-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000070142

0 1
S 2.552205 -0.115598 -0.144474
O 2.886579 -1.568046 -0.826905
O 3.131618 1.294062 -0.749696
N -3.487951 0.441991 0.151079
N -4.352383 -0.650967 0.144607
C 0.687023 0.044880 -0.012417
C 0.125538 1.335119 0.006633
C -0.094826 -1.124725 -0.010395
C -2.097544 0.287909 0.092759
C -1.273830 1.455002 0.063447
C -1.495337 -1.003211 0.047918
C 3.176915 -0.218907 1.665242
H 0.772796 2.216689 -0.054959
H 0.386319 -2.106235 -0.084836
H -1.734461 2.450516 0.074864
H -2.145195 -1.881771 0.049565
H 2.717122 -1.110222 2.113499
H 4.268651 -0.312331 1.580256
H 2.876886 0.713287 2.163029
H -3.869358 1.392850 0.152235
H -4.854257 -0.834633 -0.725852
H -4.840111 -0.851960 1.018603


