%chk=000070568.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070568

0 1
 N  -0.6733000     -0.2784000      0.7893000    
 N    3.140300     -0.7764000     -0.9551000    
 N    2.893300       2.428000      0.1785000    
 C    2.072200     -3.8899999E-02 -0.2742000    
 C   0.8215000     -3.3199999E-02  -1.171500    
 C    1.745000     -0.7488000       1.051800    
 C  -0.4220000      0.4877000     -0.4384000    
 C   0.4699000     -0.2032000       1.708400    
 C   -1.891300      0.1936000       1.447300    
 C    4.335800     -0.8233000     -0.1302000    
 C    2.532300       1.343500     -2.0500001E-02
 C   -3.100000      4.8200000E-02  0.5613000    
 C    4.821100      0.5903000      0.1788000    
 C    5.415400      -1.628900     -0.8459000    
 C   -3.457500       1.090100     -0.2831000    
 C   -3.839300      -1.125800      0.6009000    
 C   -4.577000      0.9555000      -1.104200    
 C   -4.958700      -1.260300     -0.2204000    
 C   -5.327600     -0.2196000      -1.072900    
 H   0.6118000      -1.054600      -1.521000    
 H   0.9882000      0.5750000      -2.070900    
 H    2.540000     -0.6361000       1.798800    
 H    1.610600      -1.826600      0.8811000    
 H  -0.3161000       1.559700     -0.2284000    
 H   -1.228600      0.3642000      -1.165600    
 H   0.2653000     -0.8085000       2.600300    
 H   0.6321000      0.8272000       2.050700    
 H    3.345500     -0.3450000      -1.856500    
 H   -1.793600       1.240500       1.767700    
 H   -2.065900     -0.3812000       2.367000    
 H    4.171900      -1.367500      0.8054000    
 H    5.898900      0.5121000      0.3997000    
 H    4.832800       1.267800     -0.6828000    
 H    4.465300      0.9795000       1.137800    
 H    5.063800      -2.641800      -1.072900    
 H    6.311200      -1.724500     -0.2225000    
 H    5.712100      -1.155400      -1.788900    
 H   -2.892900       2.018000     -0.3076000    
 H   -3.559900      -1.943400       1.259400    
 H   -4.866300       1.767100      -1.765300    
 H   -5.543100      -2.175600     -0.1965000    
 H   -6.199600     -0.3242000      -1.711800    


%chk=000070568-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000070568

0 1
N -0.691532 0.102361 0.719829
N 3.239210 -0.644488 -0.809847
N 2.826647 2.743618 0.062023
C 2.143127 0.143005 -0.205266
C 0.917826 0.081727 -1.173275
C 1.701422 -0.454707 1.162473
C -0.338869 0.736070 -0.575261
C 0.419333 0.213168 1.695349
C -1.970944 0.612372 1.269432
C 4.459721 -1.027781 -0.046652
C 2.508655 1.594133 -0.020853
C -3.188562 0.189765 0.452042
C 5.375515 0.149442 0.384468
C 5.240841 -2.041073 -0.911486
C -4.284160 1.072228 0.287831
C -3.264380 -1.108812 -0.112510
C -5.439994 0.665146 -0.418081
C -4.414852 -1.516600 -0.822664
C -5.509250 -0.632016 -0.975768
H 0.728206 -0.989140 -1.366224
H 1.172410 0.569412 -2.133947
H 2.503439 -0.345183 1.915125
H 1.520293 -1.532387 0.995187
H -0.177943 1.838347 -0.456617
H -1.185340 0.602697 -1.271519
H 0.115830 -0.292749 2.630901
H 0.637759 1.281807 1.952949
H 3.465138 -0.312659 -1.758093
H -1.966447 1.727694 1.372149
H -2.067249 0.203736 2.296153
H 4.116681 -1.554671 0.864313
H 6.252366 -0.234321 0.939207
H 5.745065 0.703456 -0.499256
H 4.850124 0.869237 1.035557
H 4.600692 -2.899572 -1.177837
H 6.129981 -2.411718 -0.371167
H 5.593319 -1.567409 -1.849132
H -4.232447 2.083476 0.711332
H -2.405240 -1.778843 0.005507
H -6.279666 1.359407 -0.537382
H -4.460702 -2.522692 -1.255644
H -6.402424 -0.948682 -1.526249


