%chk=000034448.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034448

0 1
 S    2.000200      -2.559000      0.9310000    
 S   0.6004000      -1.173400       1.537700    
 S    1.334300      -2.672100      -2.011500    
 S   -1.358900      -3.449600       1.846700    
 N    2.682500       1.514700      1.1600000E-02
 N   -4.019900      0.6067000      0.1008000    
 N    3.236600      -1.182400     -0.9012000    
 N   -1.672800      -1.327300      0.2694000    
 C    4.073000       1.367000      0.4527000    
 C   -4.677200     -0.5728000     -0.4893000    
 C    2.434900       1.129700      -1.385300    
 C   -2.707900      0.8640000     -0.5151000    
 C    4.321900     -3.8300000E-02   1.019100    
 C   -4.025900      -1.915600     -0.1461000    
 C    2.191700       2.874100      0.2456000    
 C   -4.888300       1.776500     -8.0799997E-02
 C    3.136400     -0.1309000      -1.900400    
 C   -1.571500      0.1231000      0.1904000    
 C    4.395100      -1.152200     -2.0900000E-02
 C   -2.580900      -2.050200     -0.6110000    
 C    1.757000       3.013400       1.701100    
 C    3.271700       3.894000     -0.1040000    
 C   -4.762000       2.313400      -1.503700    
 C   -4.520600       2.845800      0.9430000    
 C    2.245900      -2.096000     -0.7403000    
 C  -0.8957000      -2.002600       1.160300    
 H    4.301300       2.019400       1.303100    
 H    4.797000       1.609300     -0.3353000    
 H   -4.752700     -0.4934000      -1.580800    
 H   -5.707200     -0.6377000     -0.1139000    
 H    2.690800       1.941700      -2.077800    
 H    1.354500      0.9706000      -1.490300    
 H   -2.411000       1.915800     -0.4322000    
 H   -2.701300      0.6286000      -1.587600    
 H    3.570700     -0.2568000       1.784700    
 H    5.282100     -2.4400000E-02   1.551700    
 H   -4.616800      -2.701500     -0.6333000    
 H   -4.106400      -2.090300      0.9336000    
 H    1.301700       3.068800     -0.3676000    
 H   -5.935400       1.509300      0.1122000    
 H    4.155200      0.1230000      -2.220000    
 H    2.627600     -0.4649000      -2.808800    
 H   -1.479000      0.5328000       1.205000    
 H  -0.6522000      0.3613000     -0.3577000    
 H    4.563100      -2.119500      0.4648000    
 H    5.279200     -0.9976000     -0.6529000    
 H   -2.453900      -1.666800      -1.630400    
 H   -2.313000      -3.109900     -0.6717000    
 H    2.581100       2.878300       2.409100    
 H   0.9787000       2.282500       1.947600    
 H    1.336400       4.009900       1.877100    
 H    4.080700       3.965900      0.6296000    
 H    3.707700       3.728500      -1.094900    
 H    2.816500       4.892100     -0.1359000    
 H   -5.542100       3.069400      -1.661800    
 H   -4.928000       1.551600      -2.271200    
 H   -3.818000       2.826000      -1.714300    
 H   -3.518500       3.261400      0.8000000    
 H   -4.577200       2.446700       1.962300    
 H   -5.226100       3.682400      0.8821000    


%chk=000034448-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000034448

0 1
S 1.204991 -2.394230 -2.429095
S 0.747528 -3.544002 -0.217745
S 1.925886 -0.087767 -4.010150
S -0.571192 -4.032704 2.279289
N 2.083602 1.862631 0.128950
N -2.714984 0.723848 -0.279751
N 2.975012 -0.388847 -1.485838
N -1.625198 -2.169752 0.514442
C 2.809326 1.085275 1.160582
C -3.435224 0.584372 1.003251
C 2.795206 2.118278 -1.138703
C -2.746052 -0.512104 -1.093641
C 2.582395 -0.441923 1.014641
C -2.777188 -0.428567 1.963556
C 1.286172 3.033780 0.600096
C -3.017283 1.994186 -1.017565
C 3.653039 0.927378 -1.622308
C -1.579416 -1.470778 -0.805946
C 3.260019 -1.094993 -0.208875
C -2.744048 -1.889202 1.457711
C 0.101226 2.592155 1.487264
C 2.136565 4.135947 1.297374
C -4.438566 2.043982 -1.646582
C -1.927423 2.300631 -2.068750
C 2.161304 -0.840158 -2.470030
C -0.671491 -3.077216 0.842493
H 2.428042 1.384400 2.153084
H 3.902578 1.313695 1.177239
H -4.503885 0.277715 0.852150
H -3.450847 1.575337 1.495412
H 3.496861 2.992260 -1.087727
H 2.039772 2.354685 -1.912657
H -2.629687 -0.241759 -2.157608
H -3.725052 -1.042974 -1.013712
H 1.493722 -0.623997 0.969279
H 2.966892 -0.962486 1.915394
H -3.357615 -0.422894 2.907665
H -1.748885 -0.104070 2.207061
H 0.855785 3.478431 -0.321466
H -2.959998 2.789365 -0.246237
H 4.588262 0.862538 -1.039085
H 3.915110 1.085013 -2.683215
H -0.644014 -0.887889 -0.866583
H -1.539231 -2.242312 -1.598222
H 2.936651 -2.143656 -0.296618
H 4.361020 -1.089183 -0.081182
H -3.700275 -2.151567 0.963730
H -2.611981 -2.579677 2.307053
H 0.446919 2.140548 2.436574
H -0.524352 1.854648 0.952953
H -0.522113 3.467871 1.750083
H 2.548179 3.772705 2.257829
H 2.981046 4.458635 0.660614
H 1.518466 5.026762 1.514579
H -4.626401 3.035389 -2.098511
H -5.224008 1.862827 -0.889982
H -4.548114 1.287804 -2.446567
H -1.960055 1.603483 -2.926406
H -0.924565 2.230338 -1.612868
H -2.066933 3.320293 -2.472426


