%chk=000052681.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052681

0 1
 N   0.9115000     -0.1836000     -0.7211000    
 N    4.130600      0.2653000     -6.8000004E-02
 C    2.997900     -3.8999999E-03 -0.9167000    
 C    1.837700      0.9747000     -0.6864000    
 C    2.046300      -1.051800     -0.3222000    
 C  -8.0799997E-02 -9.1899998E-02  0.3573000    
 C   -1.037400      -1.278900      0.3294000    
 C  -0.7377000       1.276200      0.4176000    
 C   -2.208200      -1.379300     -0.4515000    
 C   -1.579500       1.743500     -0.6067000    
 C   -2.787400     -0.3135000      -1.359000    
 C   -1.917300      0.8650000      -1.779300    
 C    5.201600     -0.6901000     -0.3094000    
 C  -0.6700000      -2.385800       1.133000    
 C  -0.4737000       2.117400       1.514100    
 C   -2.976500      -2.564600     -0.3681000    
 C   -2.136000       3.030100     -0.5175000    
 C   -1.438700      -3.546900       1.189500    
 C   -1.032800       3.393000       1.592500    
 C    6.411500     -0.3893000      0.5588000    
 C   -2.598300      -3.635500      0.4383000    
 C   -1.862900       3.849900      0.5756000    
 H    3.224800     -0.1477000      -1.981500    
 H    1.918100       1.520200      0.2629000    
 H    1.685600       1.701600      -1.491200    
 H    2.065400      -2.023700     -0.8266000    
 H    2.181100      -1.226300      0.7537000    
 H   0.4418000     -0.1663000       1.323700    
 H    4.497600       1.211300     -0.1723000    
 H   -3.107900     -0.8086000      -2.286300    
 H   -3.697000      6.9300003E-02 -0.8756000    
 H   -2.469400       1.450500      -2.526200    
 H   -1.009700      0.5322000      -2.292800    
 H    4.859200      -1.708700     -9.2500001E-02
 H    5.510800     -0.6600000      -1.361100    
 H   0.2329000      -2.348600       1.739800    
 H   0.1770000       1.787500       2.320700    
 H   -3.894500      -2.656100     -0.9469000    
 H   -2.793900       3.400400      -1.300200    
 H   -1.130200      -4.374600       1.820700    
 H  -0.8173000       4.028500       2.446300    
 H    6.815700      0.6059000      0.3453000    
 H    6.155200     -0.4345000       1.622600    
 H    7.203300      -1.121700      0.3711000    
 H   -3.209100      -4.532200      0.4765000    
 H   -2.300000       4.842300      0.6337000    


%chk=000052681-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052681

0 1
N 0.912903 0.145229 -0.479008
N 4.291069 0.092513 -0.109494
C 3.028066 0.132232 -0.855844
C 1.992651 1.200661 -0.382690
C 1.960358 -0.947939 -0.466258
C -0.137841 0.133649 0.584023
C -0.978342 -1.150384 0.485961
C -0.936388 1.438541 0.546785
C -2.011659 -1.387805 -0.471729
C -1.672594 1.820605 -0.611840
C -2.543729 -0.395367 -1.513195
C -1.736038 0.891472 -1.809972
C 5.234071 -0.957911 -0.558600
C -0.664848 -2.174853 1.421105
C -0.920236 2.292187 1.674270
C -2.668224 -2.650079 -0.449814
C -2.365339 3.054959 -0.606077
C -1.328653 -3.417723 1.430776
C -1.622775 3.519020 1.674383
C 6.538509 -0.911621 0.254423
C -2.342801 -3.658914 0.477540
C -2.346388 3.904386 0.524606
H 3.168055 0.164309 -1.961781
H 2.206701 1.511941 0.664894
H 1.823502 2.089625 -1.013092
H 1.759776 -1.778812 -1.162382
H 2.177533 -1.340833 0.551118
H 0.366163 0.097107 1.584187
H 4.744370 1.018160 -0.084181
H -2.670092 -0.947819 -2.465842
H -3.566028 -0.098205 -1.197122
H -2.218652 1.411537 -2.659079
H -0.709553 0.607548 -2.105318
H 4.741435 -1.939574 -0.414097
H 5.469751 -0.880599 -1.650801
H 0.120803 -1.982092 2.162306
H -0.351861 1.991376 2.563367
H -3.462499 -2.835446 -1.184874
H -2.929171 3.350914 -1.499567
H -1.060023 -4.182488 2.167729
H -1.601417 4.165723 2.558667
H 7.062950 0.053296 0.112880
H 6.324703 -1.029683 1.331118
H 7.226650 -1.716647 -0.060293
H -2.874555 -4.616954 0.459276
H -2.890916 4.855459 0.507536


