%chk=000025800.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025800

0 1
 S    3.298500      -1.543000      0.2909000    
 O   0.2324000       1.173900      -1.614100    
 N    1.032700     -0.1456000      0.1179000    
 N    3.415900       2.083000       1.114500    
 C   -1.356800      0.1772000     -0.2071000    
 C   3.7200000E-02  0.4585000     -0.6350000    
 C    2.450400      5.5999998E-03 -0.1768000    
 C   -2.338900       1.106300     -0.4824000    
 C   -1.626100      -1.004700      0.4518000    
 C   -3.648200      0.8420000     -8.0700003E-02
 C   -2.935600      -1.269000      0.8533000    
 C   -3.946600     -0.3455000      0.5870000    
 C    2.397500      -2.704600     -0.7662000    
 C    2.987400       1.165900      0.5468000    
 H    2.578500      0.1599000      -1.253700    
 H   0.8052000     -0.6582000      0.9630000    
 H   -2.121800       2.037600     -0.9969000    
 H  -0.8760000      -1.763700      0.6479000    
 H   -4.435400       1.561200     -0.2873000    
 H   -3.170000      -2.197200       1.366400    
 H   -4.966400     -0.5521000      0.8984000    
 H    2.422300      -2.374100      -1.807800    
 H    1.361800      -2.812100     -0.4350000    
 H    2.877400      -3.685200     -0.7045000    


%chk=000025800-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025800

0 1
S 3.328673 -1.714584 0.062915
O 0.398328 0.564361 -1.699988
N 1.056084 -0.058939 0.439451
N 3.843750 1.510842 1.821526
C -1.351312 0.011979 -0.099117
C 0.076728 0.191513 -0.528974
C 2.467820 0.011573 0.103529
C -2.349301 0.642932 -0.886163
C -1.738948 -0.767033 1.023631
C -3.710915 0.516756 -0.544517
C -3.103523 -0.897180 1.360412
C -4.091601 -0.250819 0.581851
C 2.406372 -2.408045 -1.426705
C 3.229972 0.842033 1.047279
H 2.531784 0.425742 -0.919670
H 0.797621 -0.303689 1.396196
H -2.031164 1.221839 -1.759121
H -0.996452 -1.308916 1.622446
H -4.474298 1.012936 -1.153083
H -3.396007 -1.506690 2.222029
H -5.149757 -0.351245 0.846886
H 2.552715 -1.758231 -2.302336
H 1.334441 -2.510712 -1.200660
H 2.844388 -3.400322 -1.617416


