%chk=000001798.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001798

1 1
 S   -2.913100      0.5331000     -9.1399997E-02
 S   3.3300001E-02  0.9344000     -4.9199998E-02
 O   -2.785700       1.847500     -0.7224000    
 O   -3.770700     -0.4855000     -0.6957000    
 O    2.739100       1.947700     -1.8900000E-02
 N   0.3390000      -1.570100      8.2999999E-03
 N   -1.036400      -1.443800     -1.9400001E-02
 N    2.384100     -0.3748000      2.0900000E-02
 N   -3.459700      0.7935000       1.522500    
 C    1.043700     -0.4421000     -2.2000000E-03
 C   -1.316800     -0.1565000     -5.1600002E-02
 C   0.8834000      -2.912700      4.3900002E-02
 C    3.195200      0.8139000      1.1100000E-02
 C    4.664700      0.5156000      4.4199999E-02
 H    1.508900      -3.070000     -0.8386000    
 H    1.477700      -3.035100      0.9529000    
 H   7.1900003E-02  -3.645300      4.4000000E-02
 H    2.832000      -1.286400      4.7600001E-02
 H   -3.647300     -4.7699999E-02   2.083100    
 H   -2.971400       1.522300       2.058600    
 H    4.906800     -3.1700000E-02  0.9586000    
 H    5.230700       1.451000      2.9600000E-02
 H    4.937900     -7.7799998E-02 -0.8319000    


%chk=000001798-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000001798

1 1
S -3.036779 0.673534 -0.047268
S 0.187570 1.073311 -0.051216
O -2.681435 2.232948 -0.311074
O -3.893986 -0.290174 -1.011474
O 2.744323 1.847717 -0.126275
N 0.405796 -1.559115 0.106609
N -0.994019 -1.354137 0.110927
N 2.542251 -0.461034 0.007439
N -3.557752 0.481671 1.649638
C 1.177594 -0.435498 0.030742
C -1.245256 -0.072743 0.038105
C 0.895060 -2.954991 0.169869
C 3.343809 0.752042 -0.079045
C 4.831261 0.529436 -0.104391
H 1.470544 -3.205313 -0.738021
H 1.500782 -3.113391 1.078664
H 0.008672 -3.601997 0.216086
H 3.032218 -1.361706 0.048348
H -4.300817 -0.225106 1.749727
H -3.725979 1.391774 2.103445
H 5.174128 -0.002736 0.802196
H 5.338625 1.502846 -0.153316
H 5.130690 -0.067837 -0.985714


