%chk=000013439.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013439

0 1
 S   0.4415000       1.554600      0.2067000    
 N   0.4485000      -1.002100     -0.1328000    
 C    1.974200      0.7718000      0.1017000    
 C    1.775200     -0.6002000     -8.0399998E-02
 C  -0.3334000      4.3000001E-02  6.6999998E-03
 C   -1.776500      6.0000003E-04  1.5000000E-03
 C    3.259900       1.331200      0.1752000    
 C    2.904800      -1.439600     -0.1927000    
 C   -2.438200      -1.199300      0.2596000    
 C   -2.506900       1.158800     -0.2622000    
 C    4.360700      0.4784000      6.1099999E-02
 C    4.187700     -0.8893000     -0.1205000    
 C   -3.832400      -1.241200      0.2538000    
 C   -3.901200       1.116700     -0.2679000    
 C   -4.563800     -8.3400004E-02 -9.8999999E-03
 H    3.402600       2.398100      0.3168000    
 H    2.781100      -2.509500     -0.3348000    
 H   -1.890200      -2.114400      0.4709000    
 H   -2.054300       2.117300     -0.4971000    
 H    5.364700      0.8911000      0.1153000    
 H    5.055800      -1.537100     -0.2071000    
 H   -4.348600      -2.175400      0.4551000    
 H   -4.471800       2.016400     -0.4792000    
 H   -5.649300     -0.1164000     -1.5699999E-02


%chk=000013439-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013439

0 1
S 0.525385 1.779462 -0.072332
N 0.460284 -0.918360 0.026925
C 2.076218 0.854009 -0.033862
C 1.816745 -0.557747 0.017445
C -0.353244 0.120867 -0.013978
C -1.819356 0.055249 -0.015862
C 3.390875 1.358760 -0.049027
C 2.900321 -1.468673 0.053784
C -2.449621 -1.221333 0.037279
C -2.627352 1.223380 -0.069222
C 4.459269 0.434247 -0.012179
C 4.215213 -0.965653 0.038730
C -3.854221 -1.319659 0.036813
C -4.033420 1.119125 -0.069305
C -4.653035 -0.151553 -0.016370
H 3.588142 2.434231 -0.088231
H 2.693483 -2.542084 0.092644
H -1.817428 -2.113524 0.078030
H -2.158981 2.214005 -0.111317
H 5.489696 0.805446 -0.023059
H 5.061750 -1.659828 0.066433
H -4.329349 -2.305901 0.078084
H -4.645567 2.026485 -0.110743
H -5.745706 -0.230851 -0.016580


