%chk=000149375.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149375

0 1
 S   -4.723300      -1.800100      0.2882000    
 O   -5.891100      -2.583300     -7.0000000E-02
 O   -4.483400      -1.423500       1.667200    
 N   -3.332900      -2.552300     -0.3953000    
 N    1.741500     -0.7535000       1.244300    
 N    4.732300       1.427700     -0.7218000    
 C   -5.956800      0.5676000     -0.2720000    
 C   -4.783500     -0.3104000     -0.6820000    
 C   -6.071000       1.850500      -1.098500    
 C   -7.202500       2.769600     -0.6368000    
 C    2.755800     -1.3900000E-02  0.5776000    
 C    3.745000     -0.6890000     -0.1445000    
 C    2.755700       1.382800      0.6493000    
 C   -2.045800      -2.095500      2.0400001E-02
 C   0.4782000      -1.201100      0.8361000    
 C    4.727800      8.2300000E-02 -0.7877000    
 C    3.777000       2.073100     -2.5200000E-02
 C   -7.231400       4.060300      -1.441200    
 C   -1.590900      -2.372100       1.309600    
 C   -1.243000      -1.373100     -0.8623000    
 C  -0.3331000      -1.926500       1.716100    
 C   1.4700000E-02 -0.9275000     -0.4558000    
 C    3.769300      -2.091900     -0.2335000    
 C    1.773800       2.087200       1.367500    
 C    5.715300     -0.5841000      -1.508200    
 C    3.782400       3.463800      4.2399999E-02
 C    4.767600      -2.733800     -0.9602000    
 C    1.801600       3.477600       1.419400    
 C    5.742500      -1.978100      -1.598700    
 C    2.808200       4.167000      0.7554000    
 H   -6.892300      1.7000000E-03 -0.3624000    
 H   -5.859700      0.8318000      0.7884000    
 H   -4.868100     -0.6031000      -1.733200    
 H   -3.843700      0.2283000     -0.5301000    
 H   -6.221500       1.588000      -2.152900    
 H   -5.120100       2.395000      -1.040800    
 H   -7.075300       3.011300      0.4247000    
 H   -8.164200       2.254100     -0.7400000    
 H   -3.397800      -2.756400      -1.401700    
 H    1.996300     -0.9977000       2.196800    
 H   -7.384100       3.855500      -2.505600    
 H   -6.294000       4.614500      -1.328400    
 H   -8.048700       4.702200      -1.097900    
 H   -2.199000      -2.944900       2.004800    
 H   -1.587900      -1.150600      -1.868800    
 H   8.9999996E-03  -2.152200       2.723200    
 H   0.6181000     -0.3665000      -1.164800    
 H    3.025300      -2.713500      0.2576000    
 H   0.9753000       1.579400       1.902100    
 H    6.490400     -1.4200000E-02  -2.017500    
 H    4.560800       4.026900     -0.4694000    
 H    4.784900      -3.817300      -1.026400    
 H    1.042800       4.019400       1.975700    
 H    6.526200      -2.469000      -2.168100    
 H    2.839300       5.252100      0.7897000    


%chk=000149375-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000149375

0 1
S -4.845944 -2.356756 -0.083189
O -5.942377 -3.306739 -0.820891
O -4.931057 -2.047746 1.512475
N -3.036020 -3.248287 -0.371185
N 1.396589 -0.136614 1.341306
N 4.822411 1.469260 -0.722281
C -5.927724 0.281361 -0.404494
C -4.842865 -0.615707 -0.997744
C -5.929444 1.675665 -1.084610
C -7.021998 2.601862 -0.499647
C 2.507362 0.368598 0.618598
C 3.355938 -0.476496 -0.167645
C 2.833331 1.758230 0.749104
C -1.937479 -2.436324 -0.002244
C 0.314659 -0.905734 0.862881
C 4.491420 0.144536 -0.847611
C 4.028683 2.252838 0.073606
C -7.041807 3.992571 -1.169064
C -1.696888 -2.222005 1.388939
C -1.045863 -1.842909 -0.946436
C -0.595147 -1.465320 1.809510
C 0.074795 -1.108129 -0.527071
C 3.189793 -1.901938 -0.274093
C 2.029582 2.691217 1.493788
C 5.346318 -0.675345 -1.666610
C 4.392846 3.636939 0.226456
C 4.052203 -2.664708 -1.057072
C 2.410317 4.026198 1.614683
C 5.130598 -2.044679 -1.776887
C 3.611362 4.501709 0.986172
H -6.919473 -0.193000 -0.533894
H -5.758276 0.394512 0.682702
H -5.012479 -0.900673 -2.049245
H -3.820034 -0.234170 -0.837918
H -6.092737 1.561942 -2.175929
H -4.936692 2.155305 -0.959766
H -6.858629 2.714058 0.590948
H -8.011732 2.117191 -0.619052
H -3.071746 -3.467340 -1.386988
H 1.284881 0.229549 2.289544
H -7.235200 3.908532 -2.255044
H -6.073285 4.511392 -1.039250
H -7.829342 4.635157 -0.735140
H -2.384243 -2.668422 2.112853
H -1.228975 -1.975933 -2.020824
H -0.416343 -1.320156 2.882075
H 0.750081 -0.672240 -1.268534
H 2.381869 -2.392491 0.275202
H 1.086911 2.360448 1.944555
H 6.173750 -0.172294 -2.176038
H 5.302247 3.969391 -0.283144
H 3.914378 -3.749564 -1.119598
H 1.783770 4.724753 2.179863
H 5.791348 -2.659988 -2.397165
H 3.898357 5.553091 1.095842


