%chk=000059012.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059012

0 1
 S    1.714100     -0.9201000       1.069600    
 N   -3.877400      -1.990300     -0.4948000    
 N   -3.771300       3.839500      0.3296000    
 C   -3.516100      2.9300001E-02  0.3521000    
 C   -3.736800       1.408700      0.8328000    
 C   -2.279700     -0.6749000      0.3384000    
 C   -3.565700       2.508800     -0.2498000    
 C   -2.534200      -1.939200     -0.1976000    
 C   -4.479300     -0.8053000     -0.1661000    
 C  -0.9645000     -0.3573000      0.7315000    
 C   -1.535200      -2.905500     -0.3606000    
 C   -4.546500       2.332000      -1.409000    
 C   4.5000002E-02  -1.313900      0.5743000    
 C  -0.2382000      -2.567800      3.6499999E-02
 C    2.393300     -0.2161000     -0.4587000    
 C    3.827900      0.2064000     -0.3002000    
 C    4.843300     -0.7007000     -0.5735000    
 C    4.119600       1.498500      0.1170000    
 C    6.174000     -0.3089000     -0.4268000    
 C    5.450300       1.890200      0.2636000    
 C    6.477400      0.9864000     -8.2000000E-03
 H   -4.745200       1.481600       1.264000    
 H   -3.048900       1.616300       1.663500    
 H   -2.544700       2.462100     -0.6485000    
 H   -5.538600     -0.6648000     -0.3309000    
 H   -4.350100      -2.787600     -0.8974000    
 H  -0.7452000      0.6221000       1.149200    
 H   -1.754800      -3.881800     -0.7794000    
 H   -4.466100       3.162300      -2.120600    
 H   -5.583300       2.291900      -1.057000    
 H   -4.338500       1.417400      -1.972700    
 H   0.5485000      -3.309700     -8.5299999E-02
 H   -3.588700       4.553100     -0.3750000    
 H   -3.095400       3.994000       1.076600    
 H    1.783500      0.6429000     -0.7628000    
 H    2.309400     -0.9546000      -1.264900    
 H    4.618600      -1.712500     -0.8993000    
 H    3.327600       2.210400      0.3324000    
 H    6.973800      -1.012600     -0.6381000    
 H    5.686700       2.898800      0.5898000    
 H    7.513400       1.291500      0.1062000    


%chk=000059012-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059012

0 1
S 1.659302 -0.695672 1.134858
N -3.943458 -2.153744 -0.518313
N -3.763512 3.780335 0.562975
C -3.707960 -0.043613 0.348526
C -4.016596 1.350197 0.832276
C -2.404886 -0.693018 0.323883
C -3.504416 2.484976 -0.105790
C -2.584530 -2.014311 -0.223340
C -4.613866 -0.968286 -0.170902
C -1.103696 -0.286531 0.723058
C -1.512664 -2.922679 -0.373027
C -4.223179 2.471936 -1.467580
C -0.031887 -1.188955 0.577411
C -0.234454 -2.495957 0.036764
C 2.408438 -0.193056 -0.577197
C 3.847270 0.220589 -0.404043
C 4.889218 -0.741688 -0.464751
C 4.185876 1.577243 -0.160110
C 6.237447 -0.356804 -0.294806
C 5.533376 1.965563 0.010173
C 6.564037 0.999088 -0.057559
H -5.106067 1.493366 0.957389
H -3.561982 1.503507 1.834127
H -2.416417 2.303446 -0.291187
H -5.688589 -0.869137 -0.314150
H -4.381418 -2.986182 -0.905671
H -0.925007 0.707207 1.146646
H -1.660230 -3.928775 -0.780962
H -3.833369 3.268291 -2.130549
H -5.305401 2.644562 -1.321782
H -4.078763 1.503378 -1.976746
H 0.620920 -3.175462 -0.040014
H -3.588032 4.598281 -0.030019
H -3.320061 3.872948 1.483455
H 1.778713 0.625972 -0.960015
H 2.301190 -1.075308 -1.228646
H 4.638047 -1.794342 -0.642808
H 3.387833 2.327379 -0.102484
H 7.031313 -1.110485 -0.347231
H 5.779552 3.017406 0.194635
H 7.609908 1.298932 0.073406


