%chk=000050861.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050861

0 1
 S   0.5059000     -0.8037000      0.9956000    
 N   -4.805200     -0.5718000     -0.3398000    
 N   -6.187600     -0.6856000     -3.5999999E-03
 C   -2.023200      7.3600002E-02  0.3496000    
 C   -2.922000      0.9898000     -0.4864000    
 C  -0.5527000      0.2847000     -9.9999997E-05
 C   -4.392900      0.8087000     -0.1156000    
 C    2.133000     -0.3599000      0.3974000    
 C    2.581600      0.9510000      0.5237000    
 C    2.940200      -1.329000     -0.1901000    
 C    3.850200       1.296600      5.7599999E-02
 C    4.208800     -0.9836000     -0.6561000    
 C    4.663700      0.3292000     -0.5323000    
 H   -2.286100     -0.9766000      0.1743000    
 H   -2.188300      0.2806000       1.414700    
 H   -2.640000       2.036600     -0.3205000    
 H   -2.775300      0.7837000      -1.554100    
 H  -0.3818000      7.0000000E-02  -1.060600    
 H  -0.2794000       1.328700      0.1836000    
 H   -4.992700       1.497100     -0.7247000    
 H   -4.535800       1.085300      0.9368000    
 H   -4.675300     -0.8186000      -1.320300    
 H    1.969300       1.719000      0.9887000    
 H    2.601700      -2.356600     -0.2951000    
 H    4.205500       2.318200      0.1561000    
 H    4.842500      -1.736700      -1.115400    
 H   -6.746600     -0.1731000     -0.6854000    
 H   -6.467400      -1.661600     -9.1499999E-02
 H    5.651600      0.5980000     -0.8946000    


%chk=000050861-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050861

0 1
S 0.491707 -1.078546 0.564195
N -4.897544 -0.264320 -0.788025
N -6.200880 -0.795014 -0.585015
C -2.075887 0.015048 0.368364
C -3.036163 1.175613 0.015388
C -0.609774 0.386759 0.091688
C -4.523358 0.792583 0.180671
C 2.172794 -0.485394 0.129625
C 2.452867 0.808656 -0.373473
C 3.236567 -1.405502 0.325396
C 3.785226 1.174166 -0.676785
C 4.562113 -1.031100 0.021093
C 4.845725 0.261457 -0.482490
H -2.366822 -0.877005 -0.215467
H -2.199897 -0.246288 1.437862
H -2.825623 2.051907 0.660706
H -2.854762 1.508160 -1.029860
H -0.451444 0.603115 -0.980085
H -0.299875 1.261184 0.691768
H -5.153621 1.710677 0.078278
H -4.709762 0.384954 1.189908
H -4.708919 0.029471 -1.762196
H 1.651758 1.536796 -0.531366
H 3.026301 -2.409214 0.712474
H 3.989139 2.178645 -1.065364
H 5.372921 -1.751713 0.176973
H -7.000981 -0.280663 -0.973517
H -6.245662 -1.810385 -0.670085
H 5.875558 0.549951 -0.718763