%chk=000115606.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115606

0 1
 O    3.821000       1.630100       1.257600    
 N    2.952100     -0.2068000      0.1674000    
 N   0.1899000     -0.7771000     -0.2456000    
 C    2.181600     -0.7560000       1.268200    
 C    2.566800     -0.9824000      -1.002300    
 C    2.351500      -2.266800       1.056300    
 C    2.606100      -2.418500     -0.4578000    
 C   0.7180000     -0.3077000       1.052500    
 C    1.127600     -0.5490000      -1.365300    
 C   -1.124400     -0.2093000     -0.5248000    
 C    3.711600      0.9405000      0.2425000    
 C   -2.143400     -0.6423000      0.5298000    
 C    4.439300       1.323100      -1.019800    
 C   -3.512400     -8.0100000E-02  0.2403000    
 C    5.199000       2.610600     -0.8081000    
 C   -3.867000       1.153400      0.7657000    
 C   -4.394100     -0.8053000     -0.5470000    
 C   -5.133100       1.673700      0.4978000    
 C   -5.660200     -0.2848000     -0.8149000    
 C   -6.029600      0.9546000     -0.2925000    
 H    2.555200     -0.4173000       2.239400    
 H    3.240800     -0.8406000      -1.850300    
 H    1.489300      -2.848200       1.398000    
 H    3.231200      -2.627000       1.603100    
 H    3.602300      -2.851100     -0.6095000    
 H    1.881300      -3.080800     -0.9417000    
 H   0.1364000     -0.7265000       1.879900    
 H   0.6650000      0.7873000       1.114400    
 H    1.134200      0.5139000      -1.641500    
 H   0.7927000      -1.119900      -2.239400    
 H   -1.074000      0.8863000     -0.5828000    
 H   -1.470200     -0.5592000      -1.506500    
 H   -1.864400     -0.3094000       1.535800    
 H   -2.199400      -1.737900      0.5802000    
 H    5.132200      0.5201000      -1.292100    
 H    3.715100       1.457700      -1.829900    
 H    5.724100       2.894200      -1.725800    
 H    5.946400       2.510100     -1.3600000E-02
 H    4.527900       3.433500     -0.5392000    
 H   -3.175200       1.722600       1.380100    
 H   -4.114900      -1.770500     -0.9599000    
 H   -5.420600       2.639100      0.9038000    
 H   -6.358300     -0.8443000      -1.430800    
 H   -7.015300       1.360000     -0.5015000    


%chk=000115606-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000115606

0 1
O 4.189298 1.442599 1.348098
N 3.043541 -0.167747 0.140467
N 0.197509 -0.539448 -0.126524
C 2.250243 -0.693626 1.279076
C 2.492106 -0.872336 -1.043023
C 2.270467 -2.227100 1.010515
C 2.426057 -2.348810 -0.545001
C 0.819817 -0.109142 1.156169
C 1.073787 -0.294640 -1.301946
C -1.172545 -0.020117 -0.333459
C 3.937630 0.883107 0.232337
C -2.209577 -0.612512 0.659028
C 4.614746 1.317072 -1.080692
C -3.622873 -0.175796 0.303078
C 5.673586 2.410441 -0.852482
C -4.133718 1.069300 0.753777
C -4.444068 -0.980561 -0.528597
C -5.427735 1.499920 0.383561
C -5.739440 -0.555379 -0.901072
C -6.235586 0.688686 -0.446900
H 2.712332 -0.383941 2.228891
H 3.124872 -0.739207 -1.934612
H 1.340808 -2.703362 1.363261
H 3.125011 -2.691207 1.532627
H 3.355834 -2.881469 -0.811232
H 1.572937 -2.879543 -0.999193
H 0.200920 -0.476866 1.994058
H 0.884153 1.004579 1.239653
H 1.178030 0.796525 -1.536298
H 0.618156 -0.785883 -2.182989
H -1.209071 1.098098 -0.271421
H -1.483676 -0.291292 -1.360839
H -1.966826 -0.289081 1.688633
H -2.116758 -1.713935 0.627210
H 5.075829 0.432516 -1.564760
H 3.835386 1.680788 -1.781557
H 6.116828 2.727057 -1.814160
H 6.479327 2.045131 -0.193671
H 5.226616 3.288915 -0.358046
H -3.515956 1.700611 1.405189
H -4.066547 -1.949382 -0.879688
H -5.807161 2.462977 0.744058
H -6.361628 -1.193482 -1.539165
H -7.240563 1.019544 -0.732158


