%chk=000033321.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033321

0 1
 S   0.6956000      0.8700000      -1.873300    
 O    1.024400       3.426400      0.7107000    
 N   -4.170600     -0.3121000     -0.2603000    
 N    2.747800       2.210300     -0.2086000    
 C   0.5567000       1.216500     -7.5800002E-02
 C    1.275400     -0.8710000      -1.677800    
 C    1.036800     -2.2800000E-02  0.6342000    
 C    1.407200      -1.099700     -0.1890000    
 C  -0.8972000       1.550800      0.2559000    
 C   -1.835900      0.4300000     -0.1827000    
 C    2.621500      -1.006900      -2.396500    
 C   0.2241000      -1.797400      -2.297000    
 C    1.446000       2.394900      0.1934000    
 C    1.124000     -0.1420000       2.023900    
 C    1.859400      -2.290900      0.3854000    
 C   -3.282900      0.7567000      0.1824000    
 C    1.577900      -1.333200       2.589900    
 C    1.943800      -2.404300       1.773400    
 C   -5.563100      9.8999999E-03  5.6899998E-02
 C   -3.791200      -1.585200      0.3548000    
 H   -1.016500       1.725700       1.333700    
 H   -1.202500       2.486300     -0.2339000    
 H   -1.809500      0.2710000      -1.264300    
 H   -1.520300     -0.4921000      0.3112000    
 H    2.996000      -2.035900      -2.338800    
 H    2.537100     -0.7593000      -3.461400    
 H    3.395600     -0.3666000      -1.959100    
 H   0.5505000      -2.843500      -2.250600    
 H  -0.7379000      -1.750400      -1.776300    
 H   5.2299999E-02  -1.565100      -3.354700    
 H   0.8433000      0.6845000       2.670400    
 H    2.146100      -3.133600     -0.2369000    
 H   -3.367300      0.9206000       1.265000    
 H   -3.565800       1.695400     -0.3106000    
 H    1.646500      -1.428000       3.669900    
 H    2.295500      -3.329900       2.220400    
 H    3.439200       2.941900     -8.1299998E-02
 H    3.072000       1.354100     -0.6431000    
 H   -5.859900      0.9492000     -0.4232000    
 H   -5.729800      0.1057000       1.136000    
 H   -6.235700     -0.7638000     -0.3298000    
 H   -2.879100      -1.997900     -8.6999997E-02
 H   -4.559500      -2.344600      0.1630000    
 H   -3.668900      -1.508100       1.441400    


%chk=000033321-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000033321

0 1
S 0.853215 0.832000 -1.991617
O 1.256527 2.861969 1.543365
N -4.309293 -0.309866 -0.087436
N 2.487703 2.799559 -0.424850
C 0.613492 1.161081 -0.108346
C 1.490491 -0.985253 -1.776810
C 1.104633 -0.124514 0.568869
C 1.528193 -1.188589 -0.262155
C -0.880659 1.478726 0.196374
C -1.863906 0.332365 -0.106768
C 2.894895 -1.091182 -2.416307
C 0.487845 -1.936609 -2.471604
C 1.481008 2.360139 0.398763
C 1.129444 -0.266505 1.977762
C 1.968052 -2.401190 0.322082
C -3.305946 0.719191 0.282114
C 1.570763 -1.476710 2.553940
C 1.987663 -2.546737 1.726118
C -5.687024 0.219564 -0.022377
C -4.175239 -1.558919 0.689747
H -0.932700 1.761243 1.265756
H -1.166172 2.381830 -0.379184
H -1.846347 0.089501 -1.185622
H -1.546222 -0.573060 0.443608
H 3.271965 -2.129099 -2.338242
H 2.857826 -0.824492 -3.487672
H 3.613137 -0.423852 -1.910871
H 0.821366 -2.986548 -2.362103
H -0.517902 -1.841809 -2.030533
H 0.418773 -1.710562 -3.550582
H 0.828010 0.577452 2.607211
H 2.296644 -3.230484 -0.315219
H -3.343781 0.954664 1.380295
H -3.576740 1.651316 -0.252144
H 1.594521 -1.585114 3.643818
H 2.329654 -3.486432 2.173898
H 3.089333 3.556485 -0.101980
H 2.602503 2.380043 -1.351750
H -5.777807 1.103947 -0.678108
H -6.001739 0.521120 1.010327
H -6.397566 -0.546523 -0.382358
H -3.179250 -2.006174 0.534804
H -4.929289 -2.288764 0.344183
H -4.318970 -1.407607 1.791503


