%chk=000168601.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168601

0 1
 O    2.517800     -0.1818000       1.496200    
 N    2.368000      0.5818000     -0.6921000    
 C   -2.671900      0.2998000      0.7710000    
 C   -2.773100     -0.4179000     -0.5789000    
 C   -2.683700       1.831900      0.6601000    
 C   -2.687500      -1.947700     -0.4754000    
 C   -1.567500       2.449800     -0.1934000    
 C   -1.405500      -2.505700      0.1582000    
 C  -0.1570000       2.086600      0.2790000    
 C  -0.1222000      -2.042000     -0.5356000    
 C   0.9121000       2.577400     -0.7032000    
 C    1.130800      -2.535700      0.1963000    
 C    2.299300       2.006900     -0.4001000    
 C    2.395200      -1.808900     -0.2692000    
 C    2.445200     -0.3947000      0.2871000    
 H   -3.519400     -6.6999998E-03   1.396900    
 H   -1.772400     -1.1200000E-02   1.310400    
 H   -1.998300     -6.5700002E-02  -1.266200    
 H   -3.731400     -0.1569000      -1.045300    
 H   -3.649700       2.149600      0.2486000    
 H   -2.626300       2.250900       1.672500    
 H   -2.791300      -2.365900      -1.484400    
 H   -3.546500      -2.313800      0.1003000    
 H   -1.701600       2.149800      -1.238900    
 H   -1.678400       3.541200     -0.1750000    
 H   -1.451800      -3.601500      0.1294000    
 H   -1.375700      -2.230500       1.218800    
 H   2.4900001E-02   2.519200       1.270100    
 H  -7.2400004E-02   1.005500      0.3893000    
 H  -0.1034000     -0.9526000     -0.5822000    
 H  -0.1086000      -2.401400      -1.571500    
 H   0.6291000       2.304700      -1.727600    
 H   0.9571000       3.672200     -0.6616000    
 H    1.245900      -3.611200      1.6400000E-02
 H    1.008400      -2.403700       1.278200    
 H    3.041900       2.490400      -1.043300    
 H    2.577700       2.192700      0.6423000    
 H    2.462700      -1.813000      -1.362300    
 H    3.281200      -2.331300      0.1103000    
 H    2.337200      0.3066000      -1.669200    


%chk=000168601-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168601

0 1
O 2.482493 -0.209588 1.467510
N 2.407633 0.614071 -0.710473
C -2.714458 0.333447 0.763137
C -2.817291 -0.463849 -0.558934
C -2.737127 1.874585 0.581944
C -2.733815 -2.003957 -0.386657
C -1.580390 2.457357 -0.274212
C -1.412741 -2.525689 0.239852
C -0.168229 2.111089 0.250076
C -0.138486 -2.075762 -0.510301
C 0.969174 2.680428 -0.628183
C 1.168047 -2.608830 0.122753
C 2.348446 2.037988 -0.329599
C 2.429577 -1.842474 -0.362892
C 2.450759 -0.420131 0.214747
H -3.557506 0.040075 1.422367
H -1.793115 0.046388 1.305475
H -2.022461 -0.134308 -1.256274
H -3.777996 -0.211788 -1.054368
H -3.702729 2.171104 0.121924
H -2.710539 2.347772 1.585274
H -2.869882 -2.477861 -1.381191
H -3.583370 -2.344999 0.240424
H -1.673365 2.098262 -1.320006
H -1.695538 3.560255 -0.320580
H -1.447584 -3.634147 0.273917
H -1.338266 -2.189966 1.293469
H -0.052126 2.477331 1.290221
H -0.052467 1.012946 0.302857
H -0.100937 -0.969579 -0.517602
H -0.199257 -2.390975 -1.573573
H 0.722176 2.529247 -1.700829
H 1.054451 3.776281 -0.481946
H 1.284823 -3.687767 -0.098503
H 1.118826 -2.507433 1.224061
H 3.148657 2.589500 -0.860695
H 2.564526 2.075068 0.752735
H 2.472152 -1.835351 -1.470415
H 3.336041 -2.359635 0.003784
H 2.360793 0.378091 -1.703291


