%chk=000058177.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058177

0 1
 S   0.8891000     -0.2445000      -2.043000    
 N    3.966300     -0.4234000      0.5837000    
 C  -0.8196000     -0.1950000      -1.375000    
 C   -1.144500      -1.541400     -0.6984000    
 C   -2.601400      -1.621200     -0.2214000    
 C   -1.006500       1.023500     -0.4925000    
 C   -2.889700      -2.961100      0.4567000    
 C    1.764300     -0.3146000     -0.4663000    
 C    3.269300     -0.3665000     -0.6978000    
 C  -0.8191000      0.9013000      0.8720000    
 C   -1.359500       2.227600      -1.073600    
 C   -4.342800      -3.063200      0.8920000    
 C  -0.9909000       2.022400       1.683900    
 C   -1.531200       3.348800     -0.2618000    
 C    5.415300     -0.4376000      0.3800000    
 C    3.547700      -1.601300       1.344400    
 C   -1.346800       3.246200       1.117000    
 H   -1.485100     -9.9699996E-02  -2.242800    
 H  -0.9841000      -2.351000      -1.424100    
 H  -0.5010000      -1.773100      0.1539000    
 H   -3.268500      -1.497400      -1.083600    
 H   -2.840700     -0.8175000      0.4815000    
 H   -2.242100      -3.082100       1.332900    
 H   -2.663100      -3.783900     -0.2314000    
 H    1.431800      -1.207800      5.6800000E-02
 H    1.563100      0.5765000      0.1299000    
 H    3.532300      -1.230900      -1.323100    
 H    3.582200      0.5367000      -1.238100    
 H  -0.5347000     -2.5500000E-02   1.356800    
 H   -1.505000       2.318000      -2.146000    
 H   -5.016700      -2.978200      3.3500001E-02
 H   -4.527000      -4.028400       1.374100    
 H   -4.594900      -2.273100       1.606500    
 H  -0.8454000       1.943600       2.757400    
 H   -1.808100       4.301700     -0.7032000    
 H    5.736300      0.4559000     -0.1670000    
 H    5.940300     -0.4191000       1.341600    
 H    5.746200      -1.321400     -0.1776000    
 H    2.545800      -1.480800       1.768300    
 H    3.586900      -2.522600      0.7517000    
 H    4.199800      -1.743200       2.215400    
 H   -1.479900       4.119300       1.749100    


%chk=000058177-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058177

0 1
S 0.841449 -0.886545 -1.908905
N 4.133907 -0.507636 0.617145
C -0.929887 -0.517953 -1.209438
C -1.508030 -1.763516 -0.507648
C -3.011817 -1.637216 -0.161087
C -0.933608 0.778912 -0.416676
C -3.577182 -2.919991 0.490933
C 1.874679 -1.014023 -0.321759
C 3.245320 -0.353641 -0.561503
C -0.875297 0.805176 1.001868
C -0.975516 2.018847 -1.109428
C -5.077989 -2.807072 0.834867
C -0.852603 2.032115 1.704419
C -0.958365 3.244583 -0.412758
C 5.154446 0.557191 0.703374
C 4.737189 -1.852233 0.717993
C -0.893697 3.256627 1.001726
H -1.473252 -0.358589 -2.160719
H -1.359950 -2.629102 -1.181387
H -0.931982 -1.991128 0.411846
H -3.583227 -1.415118 -1.086708
H -3.173901 -0.776967 0.517742
H -3.001930 -3.143892 1.412960
H -3.415545 -3.779336 -0.191473
H 1.966678 -2.078772 -0.052944
H 1.344687 -0.478343 0.482252
H 3.712277 -0.766446 -1.492565
H 3.077896 0.723912 -0.738939
H -0.861441 -0.133443 1.567499
H -1.011762 2.015005 -2.205850
H -5.680464 -2.620245 -0.074073
H -5.456157 -3.732869 1.306239
H -5.262044 -1.970797 1.535446
H -0.804803 2.029612 2.799359
H -0.995250 4.188784 -0.968026
H 4.662394 1.545547 0.716230
H 5.723991 0.447692 1.644287
H 5.887080 0.543555 -0.143750
H 3.951943 -2.627435 0.723198
H 5.441126 -2.080122 -0.123528
H 5.298159 -1.936654 1.666107
H -0.879123 4.207527 1.546074


