%chk=000091596.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091596

0 1
 S   -3.039500      0.3317000     -0.2191000    
 S  -0.2718000       1.405100     -0.3452000    
 O   -3.505100       1.390900      0.6780000    
 O   -3.271700      0.4467000      -1.660700    
 O    4.550800      0.4033000     -0.1349000    
 N    2.266500      0.9080000      0.1358000    
 N  -0.7540000     -0.9470000      0.5502000    
 N   0.6179000     -0.7872000      0.6383000    
 N    3.020300      -1.308000     -0.1778000    
 C   -3.782500      -1.202400      0.3181000    
 C   -1.338500      0.1224000      5.3700000E-02
 C   -5.284600      -1.182000      0.1436000    
 C   0.9424000      0.3708000      0.2071000    
 C    2.477000       2.359900      0.2656000    
 C    3.374600      3.7799999E-02 -6.0100000E-02
 C    3.998200      -2.350200     -0.3926000    
 H   -3.341800      -2.009100     -0.2753000    
 H   -3.523500      -1.344700       1.371500    
 H   -5.719800      -2.128200      0.4795000    
 H   -5.739400     -0.3729000      0.7240000    
 H   -5.559500      -1.034400     -0.9057000    
 H    2.207100       2.853400     -0.6727000    
 H    3.533000       2.568100      0.4620000    
 H    1.892100       2.752200       1.103200    
 H    2.050900      -1.594700     -0.2166000    
 H    4.879600      -2.171300      0.2287000    
 H    4.286600      -2.343800      -1.446700    
 H    3.546900      -3.311100     -0.1356000    


%chk=000091596-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000091596

0 1
S -3.314727 0.418925 0.549137
S -0.387669 1.702383 -0.034611
O -3.684285 0.185999 2.118310
O -3.697812 1.818790 -0.202787
O 4.616403 0.409306 -0.242543
N 2.297713 0.855076 -0.127401
N -0.803367 -0.903044 0.449754
N 0.580475 -0.796955 0.296359
N 3.161186 -1.368869 0.183618
C -3.978512 -1.112753 -0.473975
C -1.428274 0.246935 0.309452
C -5.434614 -1.346883 -0.094285
C 0.993605 0.475218 0.051771
C 2.602608 2.279458 -0.394290
C 3.458037 -0.062536 -0.065548
C 4.242927 -2.357685 0.274917
H -3.811011 -0.794516 -1.514855
H -3.292389 -1.923477 -0.181358
H -5.798697 -2.248979 -0.620383
H -5.539099 -1.517230 0.990863
H -6.076643 -0.498007 -0.384109
H 2.115503 2.612137 -1.328560
H 3.694567 2.359508 -0.500737
H 2.267215 2.912346 0.447134
H 2.162946 -1.630620 0.314056
H 4.841363 -2.375211 -0.652980
H 3.797746 -3.351666 0.438882
H 4.927005 -2.124352 1.110469


