%chk=000026416.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026416

0 1
 N   -4.111200     -0.5776000     -0.2297000    
 N  -0.4527000     -0.9767000      0.4612000    
 C   -4.954600     -0.5628000      -1.424500    
 C   -4.389700      0.6887000      0.4473000    
 C   -6.272600     -8.8000000E-03 -0.9040000    
 C   -5.901000      0.8165000      0.3241000    
 C   -2.700200     -0.7393000     -0.5475000    
 C   -1.874600     -0.7894000      0.7348000    
 C   0.4461000      2.9999999E-02  0.2692000    
 C   0.1561000      -2.201000      0.3630000    
 C    1.673600     -0.5474000      3.9600000E-02
 C    1.505400      -1.959300      9.5799997E-02
 C   7.3899999E-02   1.430300      0.3192000    
 C  -0.3698000      -3.491700      0.4869000    
 C    2.870700      0.2099000     -0.2061000    
 C    2.374200      -3.058200     -5.5199999E-02
 C   0.5109000      -4.566200      0.3330000    
 C    1.862100      -4.355100      6.5899998E-02
 C  -0.3341000       2.078800     -0.8422000    
 C   0.1289000       2.115600       1.528700    
 C    3.219600      0.5567000      -1.510600    
 C    3.681000      0.5965000      0.8605000    
 C  -0.6911000       3.426500     -0.7936000    
 C  -0.2281000       3.463200       1.577400    
 C    4.380900       1.291700      -1.749100    
 C    4.842200       1.331500      0.6221000    
 C  -0.6381000       4.118600      0.4163000    
 C    5.192200       1.679000     -0.6827000    
 H   -5.079100      -1.561400      -1.855000    
 H   -4.552600      0.1041000      -2.198100    
 H   -3.903600       1.536400     -5.2600000E-02
 H   -4.097600      0.6859000       1.501800    
 H   -6.948900     -0.8214000     -0.6136000    
 H   -6.780800      0.5967000      -1.661200    
 H   -6.207500       1.862000      0.2173000    
 H   -6.401300      0.4081000       1.210000    
 H   -2.347400      6.0800001E-02  -1.208300    
 H   -2.560100      -1.678900      -1.097000    
 H   -2.201600      -1.610900       1.383200    
 H   -1.969800      0.1202000       1.334800    
 H   -1.420300      -3.669900      0.6895000    
 H    3.430200      -2.911100     -0.2636000    
 H   0.1343000      -5.582100      0.4219000    
 H    2.527500      -5.206600     -5.0099999E-02
 H  -0.3761000       1.554400      -1.793600    
 H   0.4464000       1.618300       2.441900    
 H    2.597800      0.2626000      -2.353000    
 H    3.422500      0.3338000       1.883600    
 H   -1.009400       3.936900      -1.697800    
 H  -0.1868000       4.002300       2.519400    
 H    4.653300       1.562400      -2.765000    
 H    5.473900       1.633300       1.452400    
 H  -0.9159000       5.167800      0.4542000    
 H    6.096400       2.251400     -0.8682000    


%chk=000026416-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000026416

0 1
N -4.176913 -0.586269 -0.132043
N -0.473647 -0.872982 0.660351
C -5.059125 -0.941421 -1.274588
C -4.631345 0.758076 0.327981
C -6.453454 -0.511491 -0.774098
C -6.169052 0.775063 0.067267
C -2.735836 -0.699554 -0.407874
C -1.912713 -0.683060 0.904551
C 0.482368 0.140069 0.399103
C 0.097481 -2.117560 0.354247
C 1.676498 -0.454267 -0.058157
C 1.447152 -1.891638 -0.085878
C 0.166695 1.576843 0.582138
C -0.462770 -3.412096 0.443838
C 2.946650 0.232227 -0.382679
C 2.263672 -3.012373 -0.395664
C 0.362731 -4.503690 0.108350
C 1.715367 -4.305695 -0.299224
C 0.344137 2.486953 -0.495345
C -0.295792 2.082328 1.829399
C 3.714960 -0.165023 -1.514478
C 3.449421 1.289986 0.427219
C 0.065589 3.860731 -0.331886
C -0.580489 3.456039 1.990711
C 4.934734 0.473472 -1.826635
C 4.665698 1.931442 0.112531
C -0.402840 4.351129 0.909823
C 5.417857 1.526530 -1.015356
H -4.988397 -2.021105 -1.497496
H -4.789049 -0.378203 -2.205031
H -4.128173 1.570517 -0.254687
H -4.383105 0.911789 1.393446
H -6.875599 -1.302965 -0.131051
H -7.157599 -0.330167 -1.604572
H -6.454690 1.687366 -0.485252
H -6.742754 0.766686 1.009418
H -2.365437 0.122724 -1.074023
H -2.552528 -1.655928 -0.931987
H -2.277729 -1.486825 1.568361
H -2.062500 0.273768 1.427906
H -1.495825 -3.572507 0.770521
H 3.307791 -2.874092 -0.694458
H -0.038046 -5.521727 0.170056
H 2.335194 -5.177205 -0.537776
H 0.705568 2.107424 -1.456889
H -0.396509 1.401325 2.683118
H 3.334894 -0.958639 -2.167577
H 2.886447 1.598104 1.314522
H 0.212024 4.547462 -1.173035
H -0.928510 3.828388 2.960822
H 5.504619 0.153159 -2.706616
H 5.031918 2.742120 0.753004
H -0.620380 5.417676 1.035337
H 6.364844 2.022185 -1.256964


