%chk=000047343.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047343

0 1
 N   0.6856000     -2.4599999E-02 -0.5615000    
 N    2.883700      7.5099997E-02   1.292900    
 C    2.852800      -1.272100     -0.8311000    
 C    2.855600       1.181700     -0.9657000    
 C    3.440900     -8.3899997E-02  -1.591600    
 C    1.317800      -1.273100      -1.012000    
 C    1.320300       1.166200      -1.145400    
 C    3.286900      -1.184100      0.6499000    
 C    3.290000       1.255200      0.5159000    
 C  -0.7514000     -3.7099998E-02 -0.8211000    
 C    3.380100      0.1497000       2.664200    
 C   -1.434500       1.243800     -0.3651000    
 C   -1.431700      -1.274600     -0.2547000    
 C   -2.558100       1.677200      -1.039000    
 C   -1.536600      -2.399900      -1.046700    
 C  -0.9104000       1.933700      0.7093000    
 C   -1.923400      -1.235000       1.034400    
 C   -3.184600       2.851300     -0.6209000    
 C   -2.160100      -3.534600     -0.5275000    
 C   -1.537000       3.107700       1.127400    
 C   -2.546700      -2.369800       1.553500    
 C   -2.674000       3.566500      0.4622000    
 C   -2.665100      -3.519500      0.7726000    
 H    3.253000      -2.201900      -1.254300    
 H    3.258400       2.057300      -1.490000    
 H    4.535300     -8.1200004E-02  -1.520100    
 H    3.188400     -0.1423000      -2.657200    
 H    1.098200      -1.458700      -2.071900    
 H   0.9617000      -2.129700     -0.4310000    
 H   0.9700000       2.117200     -0.7412000    
 H    1.108900       1.201800      -2.224000    
 H    2.846400      -2.028200       1.194800    
 H    4.377800      -1.302200      0.7025000    
 H    4.381100       1.376200      0.5555000    
 H    2.850800       2.154900      0.9646000    
 H  -0.8880000     -6.8599999E-02  -1.914500    
 H    3.012300     -0.6976000       3.253400    
 H    3.014000       1.057200       3.157000    
 H    4.475100      0.1510000       2.707900    
 H   -2.964000       1.126300      -1.882100    
 H   -1.161200      -2.422600      -2.065100    
 H  -5.5199999E-02   1.585400       1.280500    
 H   -1.832100     -0.3737000       1.684900    
 H   -4.070500       3.207900      -1.137900    
 H   -2.254800      -4.428900      -1.136400    
 H   -1.145800       3.659200       1.977300    
 H   -2.935200      -2.360600       2.567700    
 H   -3.163300       4.479200      0.7896000    
 H   -3.149800      -4.403100       1.177200    


%chk=000047343-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047343

0 1
N 0.732728 -0.095141 -0.752621
N 2.825611 0.380002 1.318677
C 2.901300 -1.341783 -0.548639
C 2.952600 1.064835 -1.110199
C 3.600508 -0.296732 -1.446355
C 1.398537 -1.403038 -0.921114
C 1.441407 1.005768 -1.445883
C 3.191659 -1.004013 0.936679
C 3.272517 1.417240 0.362864
C -0.731183 -0.070086 -1.011389
C 3.212887 0.692759 2.702991
C -1.360667 1.201105 -0.409252
C -1.444118 -1.309430 -0.444521
C -2.520036 1.766343 -0.991966
C -2.143281 -2.186106 -1.307607
C -0.827770 1.781919 0.769919
C -1.436521 -1.582707 0.947881
C -3.146557 2.889548 -0.405555
C -2.824688 -3.315706 -0.796234
C -1.451129 2.905557 1.355055
C -2.108580 -2.711841 1.460900
C -2.614664 3.462493 0.772944
C -2.808609 -3.582889 0.590877
H 3.322129 -2.349411 -0.739491
H 3.393179 1.863457 -1.740120
H 4.690326 -0.271736 -1.248431
H 3.458528 -0.545714 -2.516217
H 1.330307 -1.773512 -1.981414
H 0.887117 -2.148104 -0.289061
H 0.959924 1.961378 -1.172586
H 1.345142 0.901298 -2.562399
H 2.637674 -1.698850 1.598855
H 4.287908 -1.193083 1.109685
H 4.383538 1.586888 0.432047
H 2.784434 2.372810 0.640843
H -0.938403 -0.058879 -2.116609
H 2.766572 -0.045928 3.393894
H 2.836084 1.694246 2.981335
H 4.323550 0.687522 2.866648
H -2.940010 1.321889 -1.903663
H -2.152589 -1.985750 -2.386362
H 0.088177 1.347105 1.192431
H -0.898006 -0.907647 1.621682
H -4.044583 3.317010 -0.866544
H -3.362980 -3.984070 -1.478081
H -1.030326 3.349115 2.265306
H -2.094017 -2.911592 2.538629
H -3.098431 4.334227 1.228535
H -3.335593 -4.456666 0.990835


