%chk=000054425.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054425

0 1
 S   -4.467100       1.580300      0.2706000    
 O    1.096300      -2.003800     -0.2929000    
 N   0.2167000      0.1199000     -1.7500000E-02
 N   -1.058400     -0.3330000     -7.2200000E-02
 N    5.205900      0.8138000      0.1160000    
 C    2.620500     -0.2360000     -4.9100000E-02
 C   -3.393700      0.2923000      5.5799998E-02
 C    1.276100     -0.7824000     -0.1362000    
 C    3.669800      -1.031800      0.3972000    
 C    2.862400       1.084100     -0.4128000    
 C   -3.977100     -0.9106000     -0.1243000    
 C   -1.951000      0.5901000      8.3300002E-02
 C   -5.396100     -0.7880000     -8.6999997E-02
 C   -5.797800      0.5131000      0.1212000    
 C    4.932400     -0.4646000      0.4607000    
 C    4.161100       1.556600     -0.3129000    
 H    3.523900      -2.064900      0.6943000    
 H    2.093300       1.746800     -0.7929000    
 H   -3.451500      -1.844400     -0.2767000    
 H   -1.662800       1.646900      0.2441000    
 H   -6.087300      -1.612200     -0.2068000    
 H   0.3504000       1.110400      0.1582000    
 H   -6.809100      0.8879000      0.1927000    
 H    5.784500      -1.042500      0.8032000    
 H    4.404000       2.577000     -0.5906000    


%chk=000054425-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054425

0 1
S -4.666695 1.638956 0.318769
O 1.069714 -2.044947 -0.154095
N 0.223748 0.139719 0.050371
N -1.098070 -0.259490 -0.025341
N 5.331676 0.773607 0.049499
C 2.646223 -0.202664 -0.025894
C -3.420542 0.339908 0.082476
C 1.260853 -0.804172 -0.059698
C 3.713276 -1.030583 0.403051
C 2.955762 1.119549 -0.438025
C -4.031538 -0.894680 -0.152413
C -2.013799 0.676852 0.153821
C -5.465072 -0.836514 -0.149608
C -5.971788 0.436352 0.086108
C 5.021997 -0.504160 0.430203
C 4.299420 1.555931 -0.383248
H 3.506242 -2.063795 0.696613
H 2.193952 1.797924 -0.839097
H -3.444470 -1.800492 -0.317910
H -1.753247 1.734770 0.360492
H -6.105335 -1.705912 -0.315707
H 0.464041 1.122545 0.251310
H -7.007645 0.765446 0.142441
H 5.865690 -1.117059 0.765301
H 4.571009 2.567907 -0.704019


