%chk=000134461.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134461

0 1
 S   -1.455800       1.289100      0.8030000    
 O   -1.896500       2.543200      0.2087000    
 O   -1.396800       1.153900       2.251000    
 N    3.289300     -0.9447000      0.9086000    
 N    3.975300     -0.1006000      -1.029700    
 N    5.446700      -1.531400      0.2400000    
 C   0.1453000      0.9099000      0.2106000    
 C    2.241700     -0.1898000      0.4469000    
 C   0.9755000      7.7600002E-02  0.9686000    
 C    2.694600      0.3266000     -0.7640000    
 C   -2.583000      6.7400001E-02  0.1897000    
 C   0.5716000       1.443200      -1.008000    
 C    1.847300       1.161200      -1.512300    
 C    4.300500     -0.8601000     -7.6000001E-03
 C   -2.808500      -1.073600      0.9364000    
 C   -3.211900      0.2822000      -1.022400    
 C   -3.695500      -2.035600      0.4533000    
 C   -4.099000     -0.6799000      -1.505300    
 C   -4.340700      -1.838800     -0.7674000    
 H   0.6642000     -0.3544000       1.913000    
 H  -8.1299998E-02   2.084200      -1.595200    
 H    2.168700       1.579100      -2.460900    
 H    3.310500      -1.470200       1.772300    
 H   -2.310100      -1.247300       1.885000    
 H   -3.030700       1.172100      -1.616800    
 H   -3.882400      -2.938900       1.026800    
 H   -4.599700     -0.5281000      -2.457100    
 H   -5.030600      -2.588300      -1.144000    
 H    6.228400      -1.502900     -0.4067000    
 H    5.584000      -2.093200       1.074600    


%chk=000134461-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000134461

0 1
S -1.471769 1.298885 0.871791
O -1.893745 2.738490 0.213857
O -1.413219 1.028684 2.490510
N 3.431585 -0.910618 1.030047
N 4.066730 -0.181283 -1.052132
N 5.665952 -1.456066 0.218846
C 0.227959 0.838973 0.197654
C 2.325011 -0.203588 0.517850
C 1.057775 0.082290 1.045223
C 2.749638 0.243953 -0.785999
C -2.682532 0.015666 0.160836
C 0.596160 1.325282 -1.075396
C 1.877642 1.019698 -1.583359
C 4.437266 -0.861954 0.051197
C -2.930409 -1.144838 0.909886
C -3.324397 0.319003 -1.049765
C -3.859227 -2.075981 0.388666
C -4.249936 -0.623715 -1.555634
C -4.509645 -1.817737 -0.841600
H 0.713072 -0.208744 2.042776
H -0.099520 1.957046 -1.636758
H 2.200891 1.380221 -2.563531
H 3.483976 -1.357982 1.942791
H -2.435863 -1.294489 1.875453
H -3.127367 1.270114 -1.555643
H -4.079743 -2.992753 0.945677
H -4.770883 -0.421233 -2.497328
H -5.230016 -2.541893 -1.237726
H 6.333936 -1.363826 -0.541480
H 5.931778 -1.949706 1.064389


