%chk=000111891.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111891

0 1
 S   0.6130000       1.397800       1.455700    
 O   0.7948000      0.7436000       2.747900    
 O   0.2896000       2.821000       1.442500    
 N  -0.5962000      0.5269000      0.5599000    
 N   0.3397000      -4.981900     -0.1114000    
 C   -1.226600       1.229200     -0.5889000    
 C  -0.3536000     -0.8920000      0.3876000    
 C    2.072500       1.167800      0.5256000    
 C   -2.720100       1.039400     -0.6112000    
 C    2.408200       2.072900     -0.4812000    
 C    2.903100      7.8699999E-02  0.7896000    
 C   0.4709000      -1.317000     -0.6395000    
 C  -0.9532000      -1.789300       1.254000    
 C   -3.262200     -3.5900000E-02  -1.301000    
 C   -3.533800       1.942800      5.8100000E-02
 C    4.405100      0.8001000     -0.9599000    
 C    3.574500       1.889100      -1.224100    
 C    4.069500     -0.1051000      4.6900000E-02
 C   0.7029000      -2.682300     -0.8058000    
 C  -0.7211000      -3.154700       1.087900    
 C   0.1069000      -3.601100      5.7999998E-02
 C   -4.645900     -0.2115000      -1.322000    
 C   -4.917400       1.767300      3.7300002E-02
 C    5.652800      0.6041000      -1.753100    
 C   -5.473400      0.6901000     -0.6529000    
 H  -0.7933000      0.9083000      -1.543700    
 H   -1.023300       2.305300     -0.5480000    
 H    1.772500       2.924100     -0.7082000    
 H    2.664400     -0.6385000       1.570000    
 H   0.9264000     -0.6256000      -1.341300    
 H   -1.599900      -1.447200       2.056900    
 H   -2.628600     -0.7431000      -1.828700    
 H   -3.110700       2.783600      0.6007000    
 H    3.825400       2.601200      -2.005800    
 H    4.709400     -0.9564000      0.2632000    
 H    1.345800      -3.017900      -1.615500    
 H   -1.191900      -3.860700       1.767100    
 H   -5.078800      -1.049900      -1.859800    
 H   -5.561800       2.468900      0.5588000    
 H    5.897800     -0.4594000      -1.847400    
 H    5.541300      0.9981000      -2.769000    
 H    6.490200       1.115500      -1.268400    
 H   -6.550700      0.5534000     -0.6691000    
 H  -8.9500003E-02  -5.648300      0.5167000    
 H   0.9426000      -5.305900     -0.8558000    


%chk=000111891-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000111891

0 1
S 0.861747 1.301071 1.715036
O 1.269970 0.401039 3.022693
O 0.466801 2.889899 1.841548
N -0.895390 0.310314 0.853091
N 0.036904 -5.260874 0.582705
C -1.181696 1.142031 -0.350014
C -0.635069 -1.059965 0.701471
C 2.341440 1.208063 0.532093
C -2.651751 1.006126 -0.743916
C 2.538613 2.263898 -0.374662
C 3.181548 0.082840 0.590560
C -0.463243 -1.744634 -0.545956
C -0.552597 -1.832003 1.908438
C -3.018658 0.764927 -2.089881
C -3.668469 1.155790 0.233532
C 4.513135 1.063971 -1.241845
C 3.634963 2.180504 -1.261319
C 4.270506 0.022309 -0.307097
C -0.260772 -3.129210 -0.586803
C -0.316233 -3.208881 1.872083
C -0.173119 -3.888246 0.621909
C -4.381487 0.685744 -2.460462
C -5.028430 1.071160 -0.134227
C 5.709391 1.003683 -2.174887
C -5.390508 0.837764 -1.482628
H -0.532978 0.920478 -1.225835
H -0.982491 2.187964 -0.042125
H 1.873820 3.134223 -0.359271
H 2.999683 -0.702171 1.331654
H -0.524261 -1.193154 -1.489168
H -0.675183 -1.309513 2.860929
H -2.239236 0.648039 -2.853925
H -3.380236 1.328414 1.275900
H 3.814420 2.996418 -1.971422
H 4.943064 -0.843112 -0.276631
H -0.168232 -3.640791 -1.552878
H -0.252829 -3.776458 2.808158
H -4.653200 0.504129 -3.506662
H -5.806783 1.189337 0.628242
H 5.984551 -0.037819 -2.416300
H 5.514316 1.536326 -3.121901
H 6.594919 1.477447 -1.708423
H -6.447032 0.774566 -1.766875
H 0.093191 -5.803582 1.440367
H 0.124198 -5.752558 -0.302593


