%chk=000095607.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095607

0 1
 S    1.578900     -0.1264000       1.339800    
 N   -1.170800       1.611300      0.6830000    
 N  -0.1130000      -1.870900      0.1533000    
 N   -3.054900      0.9237000     -0.2894000    
 N   -2.365800      -1.380600     -0.6442000    
 C    2.768600     -0.4809000     -2.6000000E-03
 C    2.464700      0.3346000      -1.268000    
 C    4.178900     -0.1894000      0.5050000    
 C   4.0100001E-02 -0.6063000      0.5684000    
 C  -0.9786000      0.2901000      0.3953000    
 C    2.541100       1.842800      -1.063500    
 C   -2.162000     -0.1143000     -0.2078000    
 C   -2.428400       1.945100      0.2544000    
 C   -1.298900      -2.178700     -0.4238000    
 H    2.702600      -1.547500     -0.2465000    
 H    3.186000      5.7399999E-02  -2.047700    
 H    1.480500      7.3700003E-02  -1.673200    
 H    4.914800     -0.3389000     -0.2929000    
 H    4.445900     -0.8738000       1.319000    
 H    4.295900      0.8317000      0.8829000    
 H    3.544000       2.166500     -0.7710000    
 H    2.306900       2.347700      -2.007400    
 H    1.825500       2.205800     -0.3216000    
 H  -0.5081000       2.231600       1.129300    
 H   -2.823200       2.944600      0.3683000    
 H   -1.405100      -3.206500     -0.7539000    


%chk=000095607-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095607

0 1
S 1.385179 0.855692 0.772050
N -1.898649 1.529562 1.227932
N 0.008898 -1.174449 -0.532011
N -3.716680 0.343550 0.488057
N -2.429565 -1.442625 -0.672906
C 2.789000 -0.217158 -0.011728
C 2.989218 0.145408 -1.498299
C 4.031092 -0.046493 0.876967
C -0.092911 -0.036008 0.200805
C -1.384742 0.440666 0.522748
C 3.499271 1.574533 -1.774222
C -2.533210 -0.294263 0.065145
C -3.293835 1.418130 1.172958
C -1.148414 -1.812856 -0.926259
H 2.382161 -1.241132 0.055467
H 3.712356 -0.590713 -1.909856
H 2.035274 -0.029548 -2.028386
H 4.864020 -0.636980 0.450120
H 3.842970 -0.407869 1.902394
H 4.362570 1.005292 0.935577
H 4.502267 1.747102 -1.343166
H 3.569665 1.753538 -2.862195
H 2.808613 2.326944 -1.351209
H -1.361567 2.262234 1.690954
H -3.950581 2.144809 1.647066
H -1.006801 -2.724967 -1.512804


