%chk=000053461.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053461

0 1
 O  -5.9599999E-02  -3.001700      0.3859000    
 N    4.080900     -0.4446000     -0.9437000    
 N    3.421100       1.075900      0.5991000    
 N    5.092800      0.1787000     -0.3237000    
 N    4.748400       1.088500      0.5984000    
 C  -0.6466000     -0.6752000      0.3188000    
 C   0.7828000     -0.3349000      0.6184000    
 C   -1.613200      0.3284000      0.1434000    
 C    1.655600     -0.1639000     -0.6367000    
 C   -2.950400     -3.9999999E-02 -0.1384000    
 C  -0.9933000      -2.022800      0.2177000    
 C   -1.282100       1.689600      0.2415000    
 C   -3.281400      -1.401300     -0.2364000    
 C   -2.308200      -2.385100     -5.9300002E-02
 C   -3.917000      0.9637000     -0.3137000    
 C    3.095900      0.1599000     -0.3229000    
 C   -2.255300       2.673500      6.4300001E-02
 C   -3.570300       2.311300     -0.2128000    
 H   0.8563000      0.5414000       1.272500    
 H    1.224800      -1.124200       1.243400    
 H    1.257000      0.6441000      -1.262700    
 H    1.611600      -1.078400      -1.242300    
 H  -0.2731000       2.038500      0.4373000    
 H   -4.303000      -1.707400     -0.4522000    
 H   -2.592300      -3.430900     -0.1409000    
 H   -4.950900      0.7036000     -0.5311000    
 H   -1.986000       3.723100      0.1385000    
 H   -4.327200       3.077800     -0.3517000    
 H  -0.4852000      -3.869700      0.2787000    
 H    6.062600     -2.5500000E-02 -0.5400000    


%chk=000053461-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053461

0 1
O -0.130303 -3.140300 0.394395
N 4.168900 -0.448738 -0.753047
N 3.333944 1.400012 0.329097
N 5.149359 0.365593 -0.246162
N 4.683892 1.493413 0.416404
C -0.628548 -0.787403 0.350229
C 0.835744 -0.514416 0.639800
C -1.580778 0.281337 0.160629
C 1.639922 -0.224032 -0.669086
C -2.969372 -0.027599 -0.131999
C -1.082847 -2.110581 0.230860
C -1.204501 1.666827 0.248047
C -3.374034 -1.398115 -0.228426
C -2.449834 -2.424618 -0.052024
C -3.910153 1.037641 -0.318248
C 3.036876 0.226513 -0.378422
C -2.144277 2.683507 0.059982
C -3.510657 2.371898 -0.226307
H 0.947905 0.346525 1.322327
H 1.282746 -1.391518 1.136373
H 1.118685 0.561746 -1.246645
H 1.676041 -1.132560 -1.293113
H -0.166412 1.934974 0.469783
H -4.422478 -1.631116 -0.446627
H -2.762991 -3.474268 -0.130350
H -4.955070 0.784709 -0.535663
H -1.833208 3.731572 0.133073
H -4.235550 3.180208 -0.370864
H -0.561005 -4.027908 0.330270
H 6.142707 0.159097 -0.344886


