%chk=000113673.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113673

0 1
 S   -1.872600      0.8789000      0.7760000    
 N  -0.3080000       1.856100      -1.119100    
 N   -4.092100      -2.508700      0.9001000    
 N   -2.691900       2.144400      -1.378800    
 C    1.159400      1.7600000E-02 -0.4325000    
 C    2.175200     -0.4573000      0.4310000    
 C   0.6954000       1.335100     -0.2877000    
 C    2.697100      0.3995000       1.413800    
 C   0.6375000     -0.8392000      -1.415300    
 C    2.639200      -1.774900      0.2862000    
 C    1.225200       2.172500      0.6943000    
 C    2.224200       1.705700       1.543500    
 C    1.110300      -2.145400      -1.544900    
 C    2.109200      -2.612300     -0.6958000    
 C   -2.894000     -0.4976000      0.2047000    
 C   -1.546300       1.726200     -0.7489000    
 C   -3.267900      -1.400700       1.373500    
 H    3.478500      5.5799998E-02   2.088400    
 H  -0.1388000     -0.5124000      -2.103000    
 H    3.419300      -2.161000      0.9389000    
 H   0.8683000       3.193500      0.8041000    
 H    2.636800       2.358300       2.307400    
 H   0.6991000      -2.797600      -2.309900    
 H    2.477000      -3.629200     -0.7973000    
 H   -3.802400     -0.1077000     -0.2663000    
 H   -2.338900      -1.061400     -0.5525000    
 H   -2.372400      -1.811400       1.853300    
 H   -3.829700     -0.8467000       2.133800    
 H   -3.586700      -3.030000      0.1845000    
 H   -4.927100      -2.143700      0.4430000    
 H   -2.651700       2.635300      -2.265400    
 H   -3.606800       2.010900     -0.9629000    


%chk=000113673-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000113673

0 1
S -3.250569 1.538087 0.074114
N -0.675289 1.543727 -1.229403
N -2.386708 -2.161911 1.924156
N -2.381162 2.888519 -2.093343
C 0.860199 -0.257020 -0.579071
C 1.700328 -0.878480 0.424220
C 0.086751 0.917747 -0.225553
C 1.773841 -0.308975 1.739205
C 0.804013 -0.825948 -1.892085
C 2.441578 -2.055497 0.069463
C 0.193245 1.450425 1.074207
C 1.038175 0.838521 2.046952
C 1.538218 -1.973313 -2.207132
C 2.362153 -2.595984 -1.216361
C -2.942147 -0.342242 0.280285
C -1.896702 1.977076 -1.176771
C -2.701061 -0.735302 1.758634
H 2.416349 -0.780577 2.491589
H 0.181338 -0.329259 -2.643280
H 3.077992 -2.524738 0.829625
H -0.373836 2.351066 1.330417
H 1.102430 1.280560 3.047636
H 1.491670 -2.396499 -3.216785
H 2.935022 -3.494242 -1.472987
H -3.832329 -0.847010 -0.134388
H -2.066289 -0.591852 -0.340281
H -1.863672 -0.138676 2.158234
H -3.593438 -0.490224 2.364211
H -1.470034 -2.446340 1.568781
H -3.134842 -2.815070 1.678429
H -1.728081 3.316429 -2.748810
H -3.382740 3.039601 -2.187709


