%chk=000113786.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113786

1 1
 N    2.097900     -0.1626000     -0.1342000    
 N   -1.021100      -2.367600      6.1700001E-02
 N   -2.390600       1.556100     -0.1330000    
 C   0.7031000     -0.6850000      0.3431000    
 C   0.5014000       1.847500      0.1929000    
 C  -0.2676000      0.5298000      0.4437000    
 C    1.969600      0.6242000      -1.446800    
 C    2.652600      0.7857000      0.9531000    
 C    1.094500       1.854000      -1.220100    
 C    1.662800       1.923000       1.189900    
 C   0.2072000      -1.866700     -0.4925000    
 C    3.104700      -1.294500     -0.3194000    
 C   -1.525600      0.4464000     -0.4275000    
 C  -0.8370000      -2.822800       1.448700    
 C   -1.564500      -3.469400     -0.7479000    
 C   -2.801900       1.554900       1.279600    
 C   -3.585600       1.547000     -0.9915000    
 H   0.9311000      -1.030600       1.358600    
 H  -0.1351000       2.727100      0.3351000    
 H  -0.5710000      0.5136000       1.497700    
 H    1.545400     -4.3299999E-02  -2.202900    
 H    2.979000      0.9120000      -1.763300    
 H    3.616500       1.167500      0.5968000    
 H    2.817500      0.1968000       1.862400    
 H    1.700200       2.758500      -1.361600    
 H   0.3142000       1.906300      -1.986700    
 H    1.285500       1.879100       2.218900    
 H    2.183100       2.884500       1.099200    
 H   0.9496000      -2.672400     -0.5135000    
 H   5.5500001E-02  -1.556300      -1.532300    
 H    3.094200      -1.918100      0.5789000    
 H    2.834400      -1.870300      -1.208200    
 H    4.096100     -0.8542000     -0.4648000    
 H   -2.109700     -0.4523000     -0.2400000    
 H   -1.257400      0.4349000      -1.489600    
 H   -1.732900      -3.352300       1.796200    
 H   1.3500000E-02  -3.506000       1.554700    
 H  -0.7235000      -1.987000       2.145300    
 H   -2.535200      -3.792800     -0.3559000    
 H   -1.738000      -3.137000      -1.777500    
 H  -0.8912000      -4.333800     -0.7708000    
 H   -1.998600       1.883900       1.945600    
 H   -3.175100      0.5780000       1.607800    
 H   -3.605300       2.284700       1.441000    
 H   -3.297000       1.575600      -2.048200    
 H   -4.196600       2.438200     -0.8101000    
 H   -4.205800      0.6589000     -0.8250000    


%chk=000113786-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113786

1 1
N 2.049191 -0.111096 -0.224157
N -0.839171 -2.602869 0.523330
N -2.351339 1.648260 -0.346425
C 0.722742 -0.697654 0.403480
C 0.454113 1.825371 0.479986
C -0.316169 0.475234 0.544685
C 1.715168 0.780818 -1.439888
C 2.708270 0.783104 0.857256
C 0.981200 2.058421 -0.958387
C 1.661163 1.760549 1.446608
C 0.207145 -1.973241 -0.314210
C 3.047862 -1.179892 -0.627613
C -1.506859 0.434326 -0.453013
C -0.288836 -3.392333 1.650658
C -1.806718 -3.393416 -0.277200
C -3.115491 1.711248 0.922591
C -3.246091 1.795784 -1.519561
H 1.057848 -0.999255 1.414112
H -0.232121 2.642236 0.749218
H -0.739813 0.369495 1.560214
H 1.103470 0.164174 -2.118867
H 2.671678 1.003463 -1.942866
H 3.534352 1.310704 0.349701
H 3.138858 0.105768 1.614024
H 1.662246 2.927720 -0.973943
H 0.142015 2.291744 -1.632272
H 1.335731 1.431927 2.449745
H 2.121504 2.756765 1.563799
H 1.043045 -2.686257 -0.512005
H -0.236222 -1.716682 -1.292372
H 3.160558 -1.907742 0.190545
H 2.708177 -1.689963 -1.540151
H 4.017158 -0.693171 -0.822047
H -2.089502 -0.497629 -0.262256
H -1.144041 0.386399 -1.498476
H -1.120730 -3.776739 2.263742
H 0.323721 -4.263308 1.311841
H 0.336771 -2.765071 2.309974
H -2.600604 -3.774979 0.386611
H -2.283024 -2.750442 -1.038352
H -1.342031 -4.265822 -0.794977
H -2.435923 1.742406 1.792163
H -3.808230 0.844772 1.055532
H -3.715397 2.636840 0.939990
H -2.648582 1.838862 -2.448035
H -3.809086 2.740969 -1.436074
H -3.984710 0.963401 -1.619058


