%chk=000108015.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108015

0 1
 S  -0.2986000       1.810500     -0.9632000    
 O   0.1137000       1.494500      -2.326600    
 O  -0.7149000       3.174800     -0.6605000    
 O    1.287600       3.382900       1.212600    
 N   0.9567000       1.327600      0.1312000    
 N   0.7527000     -0.9047000      0.8664000    
 N    2.413800     -0.2946000     -0.7694000    
 N   -4.794500      -1.783300      0.5300000    
 C   -1.618800      0.7555000     -0.5247000    
 C    1.402600     -4.4000000E-02  7.2300002E-02
 C   -2.157100     -0.1179000      -1.469900    
 C   -2.135400      0.7858000      0.7707000    
 C    1.590500       2.196100       1.098700    
 C   -3.212000     -0.9606000      -1.119800    
 C   -3.190300     -5.7000000E-02   1.120700    
 C    1.194800      -2.177000      0.7863000    
 C    2.804800      -1.585600     -0.7994000    
 C   -3.728600     -0.9303000      0.1754000    
 C    2.226800      -2.579700     -3.6699999E-02
 C    2.669800       1.612900       1.976900    
 C   0.5078000      -3.181400       1.649100    
 C    3.928600      -1.924800      -1.720100    
 H   -1.775300     -0.1619000      -2.485500    
 H   -1.727200       1.461200       1.517800    
 H   -3.622800      -1.636900      -1.865200    
 H   -3.583800     -2.4400000E-02   2.133400    
 H    2.561400      -3.609000     -8.0899999E-02
 H    2.268200      0.7987000       2.585100    
 H    3.042300       2.388000       2.653900    
 H    3.507800       1.262200       1.369400    
 H  -0.2899000      -2.714500       2.236500    
 H   5.7300001E-02  -3.967000       1.034300    
 H    1.219300      -3.635300       2.346100    
 H    3.603400      -2.659400      -2.463600    
 H    4.280500      -1.036400      -2.255000    
 H    4.772200      -2.335400      -1.156200    
 H   -5.186100      -2.415700     -0.1551000    
 H   -5.170100      -1.760600       1.468800    


%chk=000108015-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000108015

0 1
S -0.600748 0.626837 -1.259854
O -0.380548 -0.690741 -2.181478
O -0.466807 2.089499 -1.935615
O 0.028584 2.402191 1.077344
N 0.824213 0.438194 0.132093
N 1.193133 -1.882173 0.001551
N 3.033282 -0.314924 -0.347674
N -5.864144 0.055873 1.638905
C -2.195853 0.458362 -0.329357
C 1.729578 -0.629150 -0.068768
C -2.751914 -0.829159 -0.211658
C -2.801480 1.615207 0.194727
C 0.908734 1.494582 1.044680
C -3.984309 -0.960335 0.448939
C -4.035612 1.473954 0.848288
C 2.031455 -2.927289 -0.294429
C 3.880836 -1.362025 -0.587942
C -4.644472 0.187616 0.987802
C 3.394701 -2.696674 -0.597081
C 2.079693 1.445249 2.021935
C 1.417204 -4.304669 -0.276117
C 5.330803 -1.031133 -0.851652
H -2.235997 -1.694826 -0.638346
H -2.308684 2.586086 0.098867
H -4.443552 -1.950385 0.549507
H -4.531267 2.358865 1.263081
H 4.063355 -3.530539 -0.829126
H 2.102909 0.485288 2.568061
H 1.959989 2.274426 2.734644
H 3.031633 1.544244 1.474041
H 0.879985 -4.470001 0.674208
H 0.668937 -4.387455 -1.085560
H 2.173160 -5.095736 -0.408766
H 5.726159 -1.611557 -1.703922
H 5.435676 0.043656 -1.065409
H 5.954366 -1.271748 0.030412
H -6.305660 -0.853228 1.743688
H -6.340137 0.866917 2.023781


