%chk=000135845.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135845

0 1
 S   0.3562000      0.7038000      0.6022000    
 O    4.248200      -1.175800     -0.3130000    
 O   -2.162300      -1.429300       1.741500    
 N   -5.336700       1.424000      3.5999999E-03
 N   -2.576900      -1.025000     -0.5039000    
 C   0.6775000     -0.9928000      0.2045000    
 C    1.940300      -1.497400     -0.1161000    
 C  -0.4188000      -1.871600      0.2371000    
 C   -3.962000      0.9595000     -0.1299000    
 C   -3.931000     -0.5472000     -0.3408000    
 C    3.075400      0.8334000     -7.6099999E-02
 C    3.150200     -0.6435000     -0.1727000    
 C    1.895100       1.507400      0.2473000    
 C   -1.776600      -1.438100      0.5632000    
 C    2.091600      -2.866600     -0.3987000    
 C  -0.2623000      -3.228200     -4.6300001E-02
 C   0.9944000      -3.726000     -0.3642000    
 C    4.250200       1.565900     -0.3223000    
 C    1.910300       2.911100      0.3191000    
 C   -6.117100       1.075700      -1.185400    
 C   -5.373600       2.870500      0.2281000    
 C    4.249700       2.958200     -0.2491000    
 C    3.078500       3.631800      7.1599998E-02
 H   -3.399100       1.200600      0.7810000    
 H   -3.447100       1.462700     -0.9597000    
 H   -4.438400     -0.8555000      -1.258800    
 H   -4.395400      -1.070300      0.5029000    
 H   -2.189700      -1.044000      -1.443300    
 H    3.061400      -3.286800     -0.6537000    
 H   -1.111800      -3.906200     -2.1100000E-02
 H    1.123100      -4.781200     -0.5857000    
 H    5.182600       1.068700     -0.5786000    
 H    1.007900       3.465300      0.5715000    
 H   -6.343200      5.9000002E-03  -1.227300    
 H   -5.624600       1.381500      -2.115700    
 H   -7.097800       1.566500      -1.154200    
 H   -4.812900       3.133800       1.132100    
 H   -6.402800       3.209900      0.3896000    
 H   -4.952600       3.430600     -0.6148000    
 H    5.162600       3.513400     -0.4428000    
 H    3.071500       4.716100      0.1312000    


%chk=000135845-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000135845

0 1
S 0.259726 0.730424 -0.243649
O 4.367716 -1.246389 -0.052901
O -2.741583 -2.079673 1.012253
N -5.501907 1.287139 -0.127105
N -2.352097 -0.733437 -0.838081
C 0.643454 -1.041643 0.017559
C 1.986052 -1.519907 0.087557
C -0.455001 -1.936350 0.208229
C -4.098524 0.849906 0.023350
C -3.760637 -0.310972 -0.948264
C 3.121991 0.778633 -0.331647
C 3.219991 -0.690362 -0.098324
C 1.900655 1.495922 -0.408626
C -1.929100 -1.571572 0.176487
C 2.204805 -2.901119 0.357597
C -0.187075 -3.291168 0.512040
C 1.135994 -3.779521 0.579256
C 4.339482 1.505964 -0.479506
C 1.891128 2.898002 -0.623101
C -5.720619 2.162290 -1.295083
C -6.069288 1.861521 1.109745
C 4.339870 2.891877 -0.693044
C 3.106459 3.591868 -0.764334
H -3.952356 0.472384 1.050582
H -3.371242 1.688236 -0.130763
H -3.948919 -0.019080 -1.996385
H -4.410628 -1.166896 -0.701132
H -1.674840 -0.378129 -1.515995
H 3.246749 -3.234219 0.396132
H -1.044344 -3.943646 0.706045
H 1.322211 -4.833720 0.805636
H 5.268662 0.930714 -0.415995
H 0.939016 3.437464 -0.676327
H -5.376492 1.668254 -2.220614
H -5.190079 3.146115 -1.211825
H -6.800384 2.365411 -1.409269
H -5.964000 1.138937 1.937457
H -7.147034 2.059049 0.965062
H -5.583561 2.821323 1.420354
H 5.285362 3.432478 -0.802560
H 3.094387 4.674689 -0.928512


