%chk=000051529.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051529

0 1
 N    1.065100      -2.218000     -0.1220000    
 N   1.8300001E-02 -0.1952000     -0.6982000    
 N    2.311000     -0.2313000     -0.5616000    
 N   -3.978500     -0.9008000      0.3718000    
 C    2.313600      -2.947200      4.8999999E-02
 C    3.093400      -2.306200       1.196600    
 C    1.967200      -4.398700      0.3789000    
 C    3.102900      -2.865900      -1.257300    
 C    1.123700     -0.9465000     -0.4075000    
 C   -1.334800     -0.4051000     -0.3401000    
 C   -2.252800      0.6517000     -0.2756000    
 C   -3.582700      0.3549000      8.9599997E-02
 C   -1.739800      -1.700000     -4.9899999E-02
 C   -3.061400      -1.892400      0.2978000    
 C   -1.874200       1.974000     -0.5636000    
 C    2.640600       1.075400     -0.1322000    
 C   -4.494200       1.405200      0.1535000    
 C   -2.806600       3.005000     -0.4918000    
 C   -4.118100       2.719800     -0.1327000    
 C   -3.542100      -3.268400      0.6182000    
 C    3.698100       1.756300     -0.7308000    
 C    1.906300       1.675800      0.8880000    
 C    4.023400       3.044700     -0.3066000    
 C    2.231600       2.964300       1.311900    
 C    3.290100       3.648600      0.7146000    
 H    2.434700      -2.047300       2.034200    
 H    3.833700      -3.017600       1.584900    
 H    3.675000      -1.419800      0.9382000    
 H    1.373200      -4.854000     -0.4222000    
 H    1.371600      -4.461100       1.297200    
 H    2.868000      -5.005900      0.5201000    
 H    2.511500      -2.517200      -2.111700    
 H    4.021900      -2.274800      -1.179600    
 H    3.461300      -3.864100      -1.543300    
 H   0.2012000      0.6921000      -1.151000    
 H   -1.114700      -2.576500     -0.1210000    
 H    3.064200     -0.6359000      -1.098700    
 H  -0.8628000       2.254000     -0.8392000    
 H   -5.527800       1.208100      0.4325000    
 H   -2.510500       4.026100     -0.7126000    
 H   -4.852000       3.518300     -7.3600002E-02
 H   -4.604700      -3.262400      0.8827000    
 H   -3.413600      -3.927700     -0.2462000    
 H   -2.985900      -3.678300       1.467300    
 H    4.277000       1.297300      -1.528100    
 H    1.091800       1.159700       1.388200    
 H    4.847600       3.577700     -0.7715000    
 H    1.663900       3.432900       2.110500    
 H    3.544000       4.651400       1.045600    


%chk=000051529-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051529

0 1
N 1.171816 -2.160082 -0.241033
N 0.078420 -0.066763 -0.479410
N 2.424890 -0.086293 -0.562494
N -4.038989 -0.953814 0.320668
C 2.343303 -3.062744 -0.009971
C 3.167943 -2.636996 1.238923
C 1.724128 -4.460751 0.251587
C 3.253922 -3.168181 -1.270774
C 1.238382 -0.865851 -0.393338
C -1.262441 -0.386593 -0.200469
C -2.233901 0.697842 -0.206008
C -3.614522 0.343445 0.049710
C -1.711798 -1.686853 0.072993
C -3.099737 -1.925762 0.336399
C -1.911687 2.074276 -0.438566
C 2.683268 1.250727 -0.155958
C -4.612053 1.370191 0.036282
C -2.907283 3.057417 -0.442771
C -4.270525 2.702534 -0.208561
C -3.568624 -3.335547 0.635295
C 3.730097 1.964474 -0.804691
C 1.970539 1.882148 0.902911
C 4.055102 3.276692 -0.405300
C 2.294397 3.203804 1.279358
C 3.334280 3.911536 0.633511
H 2.515202 -2.612334 2.129816
H 3.976339 -3.367852 1.424323
H 3.623719 -1.638544 1.122083
H 1.148535 -4.794051 -0.630119
H 1.031284 -4.410690 1.109797
H 2.508326 -5.208638 0.471198
H 2.636954 -3.304183 -2.176970
H 3.906011 -2.284827 -1.418677
H 3.926816 -4.039860 -1.177152
H 0.251048 0.887619 -0.798001
H -0.989737 -2.504248 0.063520
H 3.194261 -0.575603 -1.018801
H -0.875425 2.397980 -0.601577
H -5.644115 1.061369 0.229157
H -2.638791 4.104327 -0.621499
H -5.043918 3.478403 -0.215587
H -4.655817 -3.335830 0.807907
H -3.338267 -4.017236 -0.205136
H -3.061897 -3.741930 1.530877
H 4.280308 1.489476 -1.626577
H 1.192585 1.336830 1.446103
H 4.866817 3.808013 -0.914723
H 1.737241 3.674312 2.097338
H 3.582293 4.933641 0.937107


