%chk=000036176.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036176

0 1
 N   -2.187300      -1.224300     -0.6807000    
 N  -0.1384000     -0.5783000      0.1913000    
 N    2.648900     -0.3227000     -0.4545000    
 C   -4.467300      3.1399999E-02   1.256000    
 C   -4.045500       1.433600     -0.7780000    
 C   -4.993300       1.186800      0.3994000    
 C   -2.087900      0.8130000      0.7444000    
 C   -3.089200      0.3892000       1.821800    
 C   -2.658200       1.821400     -0.2561000    
 C   -3.628500      -1.089200     -0.8867000    
 C   -4.408800      -1.252200      0.4195000    
 C   -3.977000      0.1830000      -1.662200    
 C   -1.493000     -0.4006000      3.1399999E-02
 C   0.5888000      -1.644300     -0.4336000    
 C    2.058600      -1.586800     -2.8200001E-02
 C    3.959600      1.9600000E-02 -0.2052000    
 C    4.822800     -0.8533000      0.4920000    
 C    4.486500       1.255800     -0.6376000    
 C    6.149900     -0.5063000      0.7450000    
 C    5.813700       1.602700     -0.3847000    
 C    6.645400      0.7216000      0.3066000    
 H   -5.154400     -0.1332000       2.095100    
 H   -4.433200       2.263600      -1.381300    
 H   -5.999900      0.9541000      3.0300001E-02
 H   -5.082600       2.095600       1.007500    
 H   -1.258800       1.314800       1.262200    
 H   -2.692800     -0.4534000       2.402100    
 H   -3.212000       1.221500       2.527500    
 H   -2.737800       2.796700      0.2421000    
 H   -1.967000       1.958400      -1.097100    
 H   -3.902900      -1.936900      -1.528000    
 H   -3.993100      -2.074300       1.015200    
 H   -5.438800      -1.540300      0.1701000    
 H   -4.962600      4.2800002E-02  -2.126200    
 H   -3.267300      0.3382000      -2.484300    
 H   0.3919000      7.9599999E-02  0.7561000    
 H   0.5026000      -1.566000      -1.524000    
 H   0.1745000      -2.612800     -0.1307000    
 H    2.586000      -2.425600     -0.4973000    
 H    2.135900      -1.689300       1.061300    
 H    2.070200      0.3373000     -0.9622000    
 H    4.481900      -1.820700      0.8516000    
 H    3.852800       1.955900      -1.178100    
 H    6.798000      -1.192000       1.283000    
 H    6.199700       2.558800     -0.7259000    
 H    7.678700      0.9918000      0.5034000    


%chk=000036176-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000036176

0 1
N -2.184968 -1.248966 -0.767733
N -0.107026 -0.525159 -0.020746
N 2.712608 -0.379099 -0.641140
C -4.374541 0.029462 1.371222
C -4.141500 1.422850 -0.723290
C -5.006255 1.176905 0.540642
C -2.016394 0.867181 0.666623
C -2.958072 0.459557 1.838839
C -2.719945 1.873152 -0.292097
C -3.665316 -1.136939 -0.852178
C -4.374397 -1.273871 0.527941
C -4.140077 0.143933 -1.601148
C -1.488958 -0.363618 -0.090542
C 0.580079 -1.619602 -0.709286
C 2.062569 -1.654175 -0.305340
C 4.007250 -0.027962 -0.222401
C 4.747134 -0.819292 0.704308
C 4.599765 1.172960 -0.717485
C 6.029086 -0.404323 1.127239
C 5.881597 1.569247 -0.292275
C 6.609620 0.787620 0.638520
H -4.988784 -0.147661 2.277596
H -4.588952 2.246314 -1.316679
H -6.040655 0.907786 0.246472
H -5.068825 2.101938 1.149336
H -1.141589 1.385235 1.111279
H -2.483841 -0.348350 2.429334
H -3.066004 1.334299 2.512884
H -2.809384 2.845057 0.235617
H -2.084920 2.045271 -1.183276
H -3.976939 -2.005011 -1.464486
H -3.897037 -2.101353 1.088396
H -5.429145 -1.568636 0.348270
H -5.174775 -0.027727 -1.963891
H -3.501732 0.284878 -2.495100
H 0.471682 0.200871 0.402913
H 0.473525 -1.514868 -1.811880
H 0.089019 -2.576461 -0.454039
H 2.554424 -2.519782 -0.802690
H 2.136818 -1.817615 0.787334
H 2.366353 0.086476 -1.483122
H 4.332675 -1.756975 1.087287
H 4.043064 1.793366 -1.432075
H 6.580623 -1.027038 1.841550
H 6.315140 2.495552 -0.687170
H 7.605800 1.099274 0.968768


