%chk=000033688.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033688

0 1
 S   -4.051300     -4.9699999E-02 -5.8200002E-02
 O   -4.827900      -1.482000      2.3600001E-02
 O   -4.633000      0.8269000      0.9417000    
 O   -4.024800      0.3526000      -1.452300    
 N    4.073500     -0.2211000     -3.2900002E-02
 N   -1.477700      0.5810000      9.0899996E-02
 N   -2.444600     -0.4276000      0.4104000    
 C    2.678000     -2.0000000E-02 -3.5999999E-03
 C  -8.2500003E-02  0.3788000      5.6800000E-02
 C    2.151900       1.252600     -0.2263000    
 C    1.823700      -1.093400      0.2493000    
 C   0.7717000       1.452000     -0.1961000    
 C   0.4434000     -0.8939000      0.2795000    
 C    4.977100      0.8449000      0.3519000    
 C    4.622400      -1.501000     -0.4348000    
 H    2.788500       2.107100     -0.4376000    
 H    2.200900      -2.094300      0.4386000    
 H   0.3739000       2.448000     -0.3733000    
 H  -0.1972000      -1.748400      0.4798000    
 H   -1.820900       1.532700      2.7400000E-02
 H    5.099000       1.564000     -0.4648000    
 H    5.970800      0.4524000      0.5956000    
 H    4.619500       1.371500       1.244000    
 H    5.674400      -1.405400     -0.7266000    
 H    4.092100      -1.911000      -1.301700    
 H    4.573600      -2.220300      0.3894000    
 H   -2.335000     -0.8152000       1.356800    
 H   -4.442400      -2.202500     -0.5281000    


%chk=000033688-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000033688

0 1
S -3.727561 1.561390 -1.436361
O -3.574120 -0.020754 0.314036
O -2.144043 1.760952 -1.760101
O -4.316839 2.738530 -0.484256
N 3.818241 0.223546 -0.253407
N -1.490583 -1.444068 0.762432
N -1.720093 -2.595212 1.343617
C 2.521046 -0.198780 0.001380
C -0.147102 -1.070233 0.534547
C 1.389934 0.554759 -0.462002
C 2.268235 -1.411502 0.740242
C 0.083784 0.129949 -0.198201
C 0.965293 -1.836733 0.996172
C 4.055735 1.470685 -1.001132
C 4.968131 -0.571793 0.209388
H 1.529643 1.472596 -1.037760
H 3.102700 -2.012261 1.111735
H -0.756298 0.717197 -0.592754
H 0.773034 -2.757528 1.555627
H -2.638251 -0.559429 0.453384
H 3.637435 1.416945 -2.025139
H 5.138823 1.647656 -1.082724
H 3.603001 2.341468 -0.488943
H 5.901338 -0.082883 -0.108593
H 4.955210 -1.592947 -0.218810
H 4.987110 -0.658604 1.313492
H -2.762690 -2.687838 1.427030
H -3.824012 0.543594 1.086502


