%chk=000055779.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055779

0 1
 S   2.3600001E-02  -2.242500      -1.850600    
 N   -2.696700       2.325300      -1.341400    
 N  -0.3368000       2.276000       1.625200    
 C   0.1564000      0.3194000      0.2039000    
 C  -0.5874000       1.218900     -0.8226000    
 C    1.623500      0.1303000     -0.2882000    
 C  -0.7920000     -0.8871000      0.4720000    
 C   0.2666000       1.139700       1.492400    
 C   -2.026700       1.437300     -0.4221000    
 C    2.236600      -1.051700     -0.7557000    
 C   -1.009600      -1.948000     -0.4328000    
 C    1.056700      0.5757000       2.648900    
 C    1.551200      -2.377700     -0.9047000    
 C    2.437400       1.302100     -0.2905000    
 C   -1.640500     -0.8649000       1.609600    
 C    3.604800      -1.035100      -1.128000    
 C   -2.013800      -2.911000     -0.2046000    
 C    3.778500       1.303800     -0.6772000    
 C   -2.625100      -1.831600       1.839800    
 C    2.230800       1.474800       2.987000    
 C    4.368300      0.1258000      -1.089100    
 C   -2.816900      -2.853200      0.9270000    
 C   -4.068600       2.609900     -0.8991000    
 C   -2.720600       1.764000      -2.699000    
 H  -9.0000004E-02   2.190700     -0.9487000    
 H  -0.5241000      0.7316000      -1.802600    
 H   -2.587300      0.4963000     -0.4472000    
 H   -2.171500       1.835800      0.5801000    
 H   0.3889000      0.5219000       3.516600    
 H    1.401800     -0.4414000       2.441300    
 H    2.182000      -3.081000      -1.460400    
 H    1.395100      -2.831400      8.1299998E-02
 H    2.025200       2.263300      1.3000000E-02
 H   -1.601000     -6.8999998E-02   2.347000    
 H    4.088100      -1.949000      -1.470300    
 H   -2.167200      -3.732200     -0.9027000    
 H    4.351300       2.225700     -0.6519000    
 H   -3.251500      -1.766300       2.724800    
 H    2.621100       1.211000       3.975900    
 H    1.965000       2.535700       3.007900    
 H    3.056000       1.347300       2.283700    
 H  -0.1825000       2.667500       2.559300    
 H    5.411200      0.1067000      -1.388800    
 H   -3.583200      -3.603300       1.094300    
 H   -4.065800       3.072100      9.4400004E-02
 H   -4.685300       1.704600     -0.8591000    
 H   -4.549100       3.327300      -1.573800    
 H   -3.125800      0.7457000      -2.724900    
 H   -1.728400       1.769800      -3.160200    
 H   -3.340800       2.386000      -3.356000    


%chk=000055779-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000055779

0 1
S -0.014456 -2.371259 -1.795221
N -2.671558 2.238133 -1.671437
N 0.046012 2.339913 1.633536
C 0.242198 0.321869 0.205113
C -0.578679 1.155310 -0.864666
C 1.679426 0.157165 -0.425147
C -0.663218 -0.898547 0.579371
C 0.522369 1.128603 1.514984
C -2.048786 1.501515 -0.538664
C 2.319776 -1.022631 -0.910531
C -0.971455 -2.001816 -0.269565
C 1.410073 0.425583 2.555258
C 1.672620 -2.384014 -0.915556
C 2.404680 1.379815 -0.542093
C -1.448525 -0.795851 1.766230
C 3.625854 -0.938396 -1.467613
C -2.008453 -2.914692 0.041546
C 3.698667 1.453278 -1.091523
C -2.474405 -1.705704 2.091800
C 1.426845 1.081670 3.949504
C 4.326726 0.278861 -1.558213
C -2.774629 -2.770322 1.215782
C -3.805807 3.076840 -1.237077
C -3.049283 1.357575 -2.795318
H -0.058228 2.111336 -1.036527
H -0.524856 0.574343 -1.804293
H -2.635495 0.584317 -0.289002
H -2.054036 2.159677 0.346442
H 1.091672 -0.630470 2.635567
H 2.439117 0.395416 2.146074
H 2.292551 -3.114755 -1.459496
H 1.466184 -2.779385 0.092413
H 1.938583 2.304145 -0.186035
H -1.287694 0.053938 2.436582
H 4.091379 -1.857997 -1.843485
H -2.188695 -3.752447 -0.639988
H 4.206092 2.421894 -1.158126
H -3.046237 -1.568251 3.016024
H 2.059880 0.495064 4.638209
H 0.412591 1.135923 4.387735
H 1.842550 2.106674 3.920620
H 0.322005 2.788735 2.533944
H 5.331775 0.310650 -1.992487
H -3.574490 -3.482412 1.445147
H -3.469428 3.778510 -0.453552
H -4.668690 2.488151 -0.828867
H -4.178307 3.670653 -2.092382
H -3.843216 0.615116 -2.519807
H -2.171585 0.795398 -3.156831
H -3.427514 1.968485 -3.635179


