%chk=000054859.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054859

0 1
 S   0.9763000     -0.8071000      -2.131700    
 O   0.6547000     -8.9599997E-02   1.088500    
 N   -5.023700      -1.015400      0.5014000    
 C  -0.5750000     -6.3400000E-02  -1.501700    
 C   -1.465500      -1.109500     -0.8276000    
 C   -2.833000     -0.5281000     -0.4840000    
 C  -0.3290000       1.181700     -0.6900000    
 C   -3.726900      -1.587300      0.1585000    
 C   0.2986000       1.124400      0.5577000    
 C    2.081800     -0.9480000     -0.7257000    
 C  -0.7088000       2.439200      -1.181300    
 C    1.839700     -0.5996000      0.6115000    
 C   0.5149000       2.274300       1.320300    
 C  -0.4807000       3.596700     -0.4328000    
 C   0.1282000       3.513600      0.8181000    
 C    3.344100      -1.491900      -1.037000    
 C    2.811600     -0.8245000       1.600000    
 C    4.317700      -1.694800     -5.5300001E-02
 C   -5.874500      -2.006400       1.145000    
 C    4.049400      -1.364200       1.266100    
 H   -1.098900      0.2359000      -2.419300    
 H   -1.612300      -1.955400      -1.513000    
 H   -1.010800      -1.528000      7.5999998E-02
 H   -2.729200      0.3136000      0.2111000    
 H   -3.310700     -0.1417000      -1.393300    
 H   -3.855500      -2.427700     -0.5345000    
 H   -3.237400      -1.969000       1.062800    
 H   -1.190000       2.529200      -2.152300    
 H   0.9834000       2.209500       2.298100    
 H   -5.481000     -0.6726000     -0.3430000    
 H  -0.7827000       4.563300     -0.8257000    
 H   0.2982000       4.414100       1.400700    
 H    3.591600      -1.775100      -2.059300    
 H    2.605100     -0.5713000       2.637300    
 H    5.280700      -2.117500     -0.3262000    
 H   -6.068200      -2.859000      0.4859000    
 H   -6.837200      -1.551100       1.397300    
 H   -5.428000      -2.367700       2.077100    
 H    4.799200      -1.527600       2.034100    


%chk=000054859-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054859

0 1
S 1.179230 -0.315258 -2.227472
O 0.869693 0.361913 1.106585
N -4.892640 -1.303884 0.460899
C -0.519204 0.259644 -1.535525
C -1.273774 -0.888678 -0.828149
C -2.739532 -0.514038 -0.504170
C -0.333535 1.530301 -0.738017
C -3.488743 -1.671290 0.186146
C 0.386878 1.546752 0.484739
C 2.081651 -0.901065 -0.740324
C -0.864438 2.759220 -1.202323
C 1.888863 -0.492602 0.607113
C 0.544623 2.731572 1.231947
C -0.706729 3.957527 -0.471189
C -0.002396 3.942423 0.753815
C 3.115063 -1.838492 -1.013488
C 2.696938 -1.033476 1.636287
C 3.933665 -2.358505 0.007983
C -5.668280 -2.331417 1.179559
C 3.717642 -1.958755 1.347709
H -1.044087 0.501686 -2.478857
H -1.251661 -1.773016 -1.494096
H -0.750553 -1.168445 0.103006
H -2.780834 0.373435 0.153721
H -3.269018 -0.243494 -1.443719
H -3.395313 -2.599025 -0.438172
H -2.999722 -1.895007 1.155489
H -1.413694 2.769479 -2.151580
H 1.093920 2.685337 2.177202
H -5.370442 -0.986482 -0.393405
H -1.131686 4.891877 -0.852685
H 0.124534 4.863516 1.332545
H 3.260719 -2.165698 -2.049289
H 2.500061 -0.697889 2.659060
H 4.720908 -3.077771 -0.240228
H -5.701280 -3.327495 0.671359
H -6.706963 -1.983362 1.321339
H -5.230091 -2.487628 2.183018
H 4.336426 -2.359911 2.156968


