%chk=000064951.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064951

0 1
 S   -1.710500       2.785200     -4.6300001E-02
 S   -3.435700      -2.267400     -6.8400003E-02
 S    4.353000      -1.008600     -4.9600001E-02
 O   -1.317600       3.346600       1.433000    
 O   -3.787700      -2.558300       1.500800    
 O  -0.8659000       3.466700      -1.009500    
 O   -3.155700       2.795500     -0.1675000    
 O    4.771600      -1.175900       1.521300    
 O   -4.572300      -1.556900     -0.6359000    
 O   -2.965600      -3.511500     -0.6577000    
 O    4.308800      -2.345300     -0.6240000    
 O    5.199300      2.3100000E-02 -0.6288000    
 N    1.095200       2.894500     -4.0800001E-02
 C   9.5500000E-02  0.6097000     -5.0099999E-02
 C   0.3211000     -0.7874000     -5.4900002E-02
 C   -1.223400       1.092400     -5.0999999E-02
 C    1.195300       1.483100     -4.4900000E-02
 C   -2.082500      -1.163700     -6.1000001E-02
 C  -0.7788000      -1.660700     -6.0500000E-02
 C    1.640000      -1.269900     -5.4400001E-02
 C   -2.304300      0.2102000     -5.6499999E-02
 C    2.720900     -0.3878000     -4.8900001E-02
 C    2.499100      0.9862000     -4.4300001E-02
 H  -0.6038000      -2.734700     -5.5900000E-02
 H    1.812200      -2.344300     -5.0299998E-02
 H   -3.332600      0.5541000     -3.9299998E-02
 H    3.340400       1.675400     -3.0600000E-02
 H    1.929700       3.418300     -0.2810000    
 H   0.5354000       3.308400      0.6935000    
 H   -1.569400       4.283300       1.609200    
 H   -4.543000      -3.172900       1.655400    
 H    5.680300      -1.524300       1.679600    


%chk=000064951-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000064951

0 1
S -1.861184 2.863792 -0.398144
S -3.471497 -2.376665 -0.052219
S 4.471473 -1.067631 -0.309592
O -1.383543 3.615927 1.277735
O -3.647577 -2.413483 1.793052
O -1.010172 3.611019 -1.541881
O -3.474126 2.857802 -0.469158
O 4.735483 -1.347734 1.507368
O -4.775543 -1.669563 -0.691902
O -2.956918 -3.818608 -0.568743
O 4.444584 -2.498837 -1.058748
O 5.460563 0.113029 -0.801341
N 1.198347 2.875683 0.558185
C 0.134029 0.678545 0.047287
C 0.359098 -0.767119 -0.053724
C -1.243964 1.077464 -0.041887
C 1.296927 1.546880 0.222976
C -2.037360 -1.170865 -0.038049
C -0.751432 -1.673439 -0.068324
C 1.677039 -1.307148 -0.138700
C -2.332673 0.211580 -0.062740
C 2.727645 -0.401073 -0.119345
C 2.590205 0.979003 0.066418
H -0.575380 -2.753420 -0.120623
H 1.841961 -2.383121 -0.239481
H -3.363169 0.576679 -0.150134
H 3.481529 1.612501 0.126134
H 2.041617 3.446270 0.549649
H 0.337068 3.305567 0.925314
H -1.883857 4.474271 1.384914
H -4.430558 -2.996141 2.019481
H 5.650385 -1.738064 1.626924


