%chk=000149242.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149242

0 1
 S   -3.782100     -0.8952000      -1.717400    
 O   -4.164100     -0.9230000      -3.117100    
 O   -2.697600      -1.726000      -1.233100    
 N   0.3714000      0.7334000       1.637900    
 N    3.333200     -0.7995000     -0.9011000    
 N   -3.557600      0.7463000      -1.247100    
 C    1.375300      0.2134000      0.7766000    
 C    2.135300       1.086500     -8.2999999E-03
 C    1.595300      -1.166700      0.7217000    
 C    3.117400      0.5290000     -0.8444000    
 C    2.598400      -1.636000     -0.1430000    
 C  -0.9910000      0.9978000       1.446400    
 C    1.935900       2.477700      2.6900001E-02
 C   0.8465000      -2.067100       1.499300    
 C   -1.593700      0.7434000      0.2089000    
 C    3.877400       1.393200      -1.628100    
 C    2.822100      -3.009000     -0.2020000    
 C   -2.949900       1.008400      1.8100001E-02
 C   -1.763100       1.520400       2.490400    
 C    2.709100       3.319900     -0.7665000    
 C    1.089900      -3.435200       1.422000    
 C    3.681700       2.776000      -1.595700    
 C    2.079900      -3.906700      0.5695000    
 C   -3.712500       1.529100       1.063600    
 C   -3.119100       1.785200       2.299600    
 C   -5.238100      -1.295200     -0.7770000    
 H   0.7232000      0.9449000       2.567100    
 H    1.187200       2.936500      0.6673000    
 H   6.7900002E-02  -1.732000       2.179600    
 H   -1.007100      0.3508000     -0.6184000    
 H    4.645900      0.9915000      -2.286100    
 H    3.592400      -3.403300     -0.8624000    
 H   -1.314700       1.725400       3.459500    
 H    2.553900       4.393900     -0.7368000    
 H   0.5109000      -4.128500       2.024300    
 H    4.290900       3.424300      -2.218700    
 H    2.278200      -4.972300      0.5016000    
 H   -4.770400       1.738000      0.9268000    
 H   -4.339800       1.375600      -1.472200    
 H   -3.713100       2.190400       3.113500    
 H   -5.536900      -2.312900      -1.038600    
 H   -5.006000      -1.244200      0.2879000    
 H   -6.035400     -0.5980000      -1.041100    


%chk=000149242-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000149242

0 1
S -4.128629 -0.029057 -1.883232
O -5.715712 0.047646 -2.259134
O -3.118879 1.212884 -2.177843
N 0.288480 1.300529 1.497628
N 3.123494 -1.092086 -0.696772
N -4.006101 -0.608218 0.049653
C 1.177938 0.484499 0.757422
C 2.124873 1.115163 -0.115308
C 1.217614 -0.939983 0.912344
C 3.103405 0.274538 -0.797237
C 2.198802 -1.683721 0.124756
C -1.119167 1.189333 1.607467
C 2.141565 2.531691 -0.368533
C 0.391545 -1.667488 1.839370
C -1.877100 0.342863 0.763122
C 4.090372 0.897772 -1.639287
C 2.240064 -3.118916 0.238605
C -3.288757 0.293788 0.886109
C -1.789094 1.984527 2.581847
C 3.106444 3.099141 -1.198157
C 0.476699 -3.053885 1.937887
C 4.101402 2.276182 -1.827561
C 1.396384 -3.791395 1.116050
C -3.956726 1.109602 1.844537
C -3.193989 1.936357 2.693302
C -3.403065 -1.584629 -2.698793
H 0.679741 2.182983 1.833143
H 1.361449 3.171481 0.059533
H -0.306707 -1.122647 2.480058
H -1.384131 -0.276970 0.010280
H 4.817381 0.238190 -2.122741
H 2.974450 -3.642466 -0.381064
H -1.206716 2.630953 3.249310
H 3.097243 4.177576 -1.389724
H -0.157333 -3.588505 2.653488
H 4.855986 2.739328 -2.472589
H 1.441597 -4.882834 1.199132
H -5.050275 1.089307 1.917021
H -5.022190 -0.618160 0.278473
H -3.695822 2.556588 3.443484
H -3.455183 -1.404595 -3.781656
H -2.371606 -1.673256 -2.334358
H -4.032644 -2.423910 -2.376636


