%chk=000044292.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044292

0 1
 N    3.386300      -1.309300     -5.9099998E-02
 N   -7.072100      0.9636000      0.1257000    
 C    1.663300      0.3308000      0.2045000    
 C    3.017200     -1.0900000E-02  3.4100000E-02
 C   0.7180000     -0.6983000      0.2745000    
 C    3.969500       1.030200     -3.5999998E-02
 C    1.109900      -2.035400      0.1774000    
 C    3.563200       2.386200      6.3900001E-02
 C    2.475900      -2.299500      8.3999997E-03
 C    1.268700       1.670700      0.3022000    
 C    2.210900       2.689700      0.2325000    
 C  -0.7054000     -0.3765000      0.4514000    
 C    5.346100      0.7700000     -0.2058000    
 C   0.1819000      -3.089500      0.2447000    
 C    4.517300       3.414900     -6.6000000E-03
 C    2.879300      -3.628600     -8.9699998E-02
 C   -1.580800     -0.2022000     -0.5550000    
 C    6.283500       1.803000     -0.2741000    
 C   0.6093000      -4.410000      0.1443000    
 C    5.869100       3.124500     -0.1745000    
 C   -3.012000      0.1013000     -0.3779000    
 C    1.961500      -4.679900     -2.3399999E-02
 C   -5.702500      0.6719000     -4.3600000E-02
 C   -3.449200      0.6281000      0.8265000    
 C   -3.892200     -0.1460000      -1.418700    
 C   -4.803800      0.9153000      0.9950000    
 C   -5.246700      0.1414000      -1.250500    
 C   -7.883800       1.359100      -1.008100    
 C   -7.682300      0.8855000       1.438000    
 H   0.2326000       1.969100      0.4391000    
 H    1.876000       3.721600      0.3126000    
 H   -1.003100     -0.3192000       1.494600    
 H    5.713000     -0.2516000     -0.2882000    
 H  -0.8830000      -2.922600      0.3811000    
 H    4.213600       4.457300      6.9300003E-02
 H    3.933600      -3.865200     -0.2214000    
 H   -1.237700     -0.3002000      -1.582900    
 H    7.336400       1.571300     -0.4053000    
 H  -0.1082000      -5.223000      0.1979000    
 H    6.596100       3.929400     -0.2274000    
 H    2.306500      -5.706600     -0.1026000    
 H   -2.783000      0.8580000       1.651900    
 H   -3.552300     -0.5629000      -2.363100    
 H   -5.123800       1.343900       1.940500    
 H   -5.922100     -7.1099997E-02  -2.074400    
 H   -8.181700      0.4845000      -1.595800    
 H   -7.350700       2.063200      -1.657000    
 H   -8.800000       1.863800     -0.6815000    
 H   -7.460300       1.784000       2.023400    
 H   -7.337500      3.3000000E-03   1.989400    
 H   -8.772400      0.8025000       1.362200    


%chk=000044292-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044292

0 1
N 3.521504 -1.364907 0.053995
N -7.225172 1.072297 0.009142
C 1.606262 0.204548 0.179083
C 3.018960 -0.103188 -0.013975
C 0.682583 -0.876385 0.374616
C 3.968438 0.985728 -0.285728
C 1.220810 -2.214761 0.461749
C 3.508496 2.346255 -0.291142
C 2.654412 -2.401044 0.311789
C 1.211975 1.600153 0.222142
C 2.116620 2.619532 0.001235
C -0.770085 -0.677784 0.513052
C 5.343206 0.715448 -0.540194
C 0.406043 -3.383446 0.651327
C 4.437792 3.397492 -0.554020
C 3.212035 -3.720850 0.407514
C -1.547575 0.163279 -0.248432
C 6.241391 1.762072 -0.801622
C 0.974831 -4.654970 0.739297
C 5.787284 3.112208 -0.808864
C -2.993294 0.371578 -0.142015
C 2.393155 -4.827062 0.625339
C -5.848231 0.848454 -0.041303
C -3.806762 -0.184009 0.890372
C -3.654347 1.179902 -1.112713
C -5.188351 0.041378 0.945864
C -5.036565 1.417188 -1.075791
C -7.872057 1.900444 -1.017374
C -8.032442 0.476267 1.082044
H 0.176528 1.841556 0.475234
H 1.790897 3.665102 0.060266
H -1.267475 -1.311289 1.260047
H 5.667513 -0.328802 -0.524719
H -0.682057 -3.279407 0.708234
H 4.081088 4.434552 -0.553669
H 4.296847 -3.813025 0.296238
H -1.057342 0.716279 -1.062610
H 7.296042 1.541793 -1.000619
H 0.333415 -5.531153 0.886260
H 6.493236 3.925312 -1.012122
H 2.826259 -5.830891 0.697510
H -3.347978 -0.798168 1.673880
H -3.061660 1.628018 -1.920617
H -5.762864 -0.405633 1.762022
H -5.486771 2.044727 -1.849792
H -7.732553 1.478055 -2.033234
H -7.474730 2.935750 -1.020972
H -8.953796 1.953092 -0.818559
H -7.711160 0.828139 2.083434
H -7.974725 -0.631060 1.073906
H -9.087529 0.760836 0.946992


