%chk=000114330.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114330

0 1
 S    3.333100      0.7203000      0.8933000    
 N   -3.693400     -0.6053000     -0.1472000    
 N   0.4955000     -0.1502000     -3.1300001E-02
 C  -0.9076000     -0.5840000     -4.2800002E-02
 C   -1.630600     -6.1700001E-02   1.194900    
 C   -1.596700     -9.5500000E-02  -1.324800    
 C   -3.109300     -0.4763000       1.196900    
 C   -3.063900      0.2987000      -1.107600    
 C   -5.142300     -0.4332000     -0.1086000    
 C   0.7477000       1.245000     -5.1199999E-02
 C    1.491100      -1.159200     -6.8899997E-02
 C    2.004100       1.761100      0.3234000    
 C    2.821100     -0.8811000      0.3037000    
 C   -5.771500      -1.498400      0.7687000    
 C  -0.2258000       2.174900     -0.4773000    
 C    1.210500      -2.470400     -0.5117000    
 C    2.251300       3.145200      0.2948000    
 C    3.806300      -1.883600      0.2570000    
 C   2.6799999E-02   3.549100     -0.5086000    
 C    2.194500      -3.461600     -0.5608000    
 C    1.265700       4.035000     -0.1191000    
 C    3.493100      -3.168700     -0.1729000    
 H   -1.032400      -1.667900      2.6600000E-02
 H   -1.591700       1.026200       1.299200    
 H   -1.149000     -0.4547000       2.100200    
 H   -1.639200      -1.001600      -1.955200    
 H   -1.055900      0.5622000      -2.011600    
 H   -3.188400      -1.446200       1.703100    
 H   -3.653800      0.2544000       1.809700    
 H   -3.176700       1.338200     -0.7804000    
 H   -3.568500      0.2261000      -2.079700    
 H   -5.425600      0.5656000      0.2456000    
 H   -5.552800     -0.5477000      -1.119200    
 H   -5.452500      -2.504000      0.4729000    
 H   -5.543000      -1.358100       1.829900    
 H   -6.861900      -1.459100      0.6702000    
 H   -1.251300       1.978700     -0.7078000    
 H   0.2382000      -2.764700     -0.8942000    
 H    3.217200       3.545600      0.5965000    
 H    4.831300      -1.672500      0.5551000    
 H  -0.7540000       4.239300     -0.8158000    
 H    1.944200      -4.457000     -0.9164000    
 H    1.464500       5.102200     -0.1342000    
 H    4.261600      -3.934700     -0.2104000    


%chk=000114330-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114330

0 1
S 3.132246 0.564660 1.484731
N -3.782857 -0.695131 -0.046940
N 0.461347 -0.040707 0.088518
C -0.973094 -0.462750 0.091782
C -1.798742 0.298437 1.158118
C -1.685361 -0.426659 -1.308922
C -3.220783 -0.303245 1.278804
C -3.156114 0.026190 -1.177396
C -5.262010 -0.704973 -0.071876
C 0.835266 1.338820 0.037745
C 1.453444 -1.056503 -0.089194
C 2.082172 1.767269 0.579294
C 2.763160 -0.901405 0.445579
C -5.865910 -1.747169 0.888889
C 0.008489 2.334183 -0.558254
C 1.169939 -2.257275 -0.798211
C 2.495846 3.112113 0.508907
C 3.752091 -1.888587 0.268418
C 0.402287 3.689018 -0.589411
C 2.146332 -3.267143 -0.938898
C 1.649789 4.088868 -0.063440
C 3.444359 -3.088825 -0.412772
H -0.951716 -1.515330 0.427859
H -1.863593 1.371618 0.914750
H -1.285897 0.225620 2.134077
H -1.679867 -1.442636 -1.743930
H -1.138580 0.225800 -2.012796
H -3.197701 -1.196884 1.932823
H -3.877163 0.450154 1.782528
H -3.222549 1.141487 -1.073609
H -3.703885 -0.231665 -2.102532
H -5.683372 0.306277 0.174415
H -5.579719 -0.942735 -1.105206
H -5.472810 -2.753104 0.657977
H -5.629885 -1.518066 1.943418
H -6.966719 -1.766594 0.789478
H -0.946806 2.055793 -1.007814
H 0.187012 -2.401746 -1.254602
H 3.471571 3.393160 0.919510
H 4.753049 -1.724673 0.681859
H -0.266523 4.428602 -1.043498
H 1.891974 -4.186269 -1.478077
H 1.963567 5.136994 -0.097891
H 4.207714 -3.864586 -0.530215


