%chk=000053432.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053432

0 1
 N  -0.1640000       2.099900     -0.1903000    
 N   -2.248600      0.9359000      0.4461000    
 C   0.5183000       1.111200      -1.048700    
 C  -0.4650000      0.2187000      -1.819300    
 C    1.603500      0.3267000     -0.3195000    
 C   -1.123800     -0.7960000     -0.9283000    
 C   -1.473100       1.965600      0.3012000    
 C   -1.915000     -0.3917000      0.1547000    
 C   0.5960000       3.342000      1.0400000E-02
 C  -0.9105000      -2.165600      -1.165000    
 C    1.389900     -9.5500000E-02  0.9894000    
 C    2.801100      3.8199998E-02 -0.9670000    
 C   -2.150400       3.251400      0.7827000    
 C   -2.483400      -1.378900      0.9769000    
 C   -1.475000      -3.129700     -0.3333000    
 C    2.382900     -0.8128000       1.656700    
 C    3.794000     -0.6791000     -0.2998000    
 C   -2.261900      -2.735700      0.7409000    
 C    3.584900      -1.104600       1.012100    
 H    1.024500       1.698900      -1.829400    
 H   7.6499999E-02 -0.2954000      -2.624600    
 H   -1.238100      0.8209000      -2.314100    
 H   0.2182000       4.128000     -0.6509000    
 H    1.661900       3.209100     -0.2054000    
 H   0.5276000       3.677400       1.050000    
 H  -0.2913000      -2.489500      -1.998200    
 H   0.4766000      0.1299000       1.528700    
 H    2.975400      0.3618000      -1.989400    
 H   -2.055600       4.035200      2.6500000E-02
 H   -1.690400       3.579700       1.718800    
 H   -3.217000       3.084000      0.9649000    
 H   -3.113300      -1.089600       1.816000    
 H   -1.299500      -4.184000     -0.5241000    
 H    2.222000      -1.140500       2.679600    
 H    4.729800     -0.9068000     -0.8017000    
 H   -2.708700      -3.480800       1.392400    
 H    4.358300      -1.662300       1.531900    


%chk=000053432-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000053432

0 1
N -0.188189 2.149678 -0.201214
N -2.177459 0.882833 0.519199
C 0.522928 1.152513 -1.043603
C -0.453869 0.202392 -1.805504
C 1.616739 0.387565 -0.288876
C -1.095113 -0.859110 -0.942103
C -1.466815 1.983909 0.352466
C -1.899575 -0.453388 0.167020
C 0.564151 3.415154 -0.072002
C -0.928047 -2.235683 -1.216959
C 1.476724 0.045213 1.078238
C 2.785320 -0.017174 -0.981037
C -2.126644 3.254806 0.885841
C -2.542262 -1.456066 0.949938
C -1.547735 -3.223338 -0.419101
C 2.483977 -0.694934 1.736780
C 3.792229 -0.761122 -0.326418
C -2.360421 -2.823904 0.669947
C 3.643385 -1.103023 1.037831
H 1.030024 1.753319 -1.830884
H 0.122327 -0.276197 -2.617948
H -1.225969 0.841576 -2.280687
H 0.493715 4.029811 -0.993722
H 1.629570 3.185132 0.111992
H 0.204473 4.013895 0.775997
H -0.300267 -2.535385 -2.065968
H 0.581551 0.359052 1.625288
H 2.910296 0.253815 -2.038069
H -2.062868 4.097533 0.174161
H -1.676824 3.581409 1.843449
H -3.181571 3.014124 1.076037
H -3.181042 -1.122995 1.774373
H -1.405345 -4.285756 -0.645153
H 2.361449 -0.957368 2.793702
H 4.690876 -1.066695 -0.874412
H -2.856186 -3.578027 1.292110
H 4.423267 -1.677561 1.550192


