%chk=000138817.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138817

0 1
 O    5.406800     -0.9840000     -0.1347000    
 O    3.758500      -2.429400      4.4399999E-02
 N    4.192900      -1.252900      3.0099999E-02
 N  -0.5284000      0.5628000      -2.673600    
 C    1.032800      0.6006000      0.5679000    
 C   -2.733300     -6.5499999E-02  1.5799999E-02
 C  -0.3967000      0.3187000      0.7636000    
 C   -1.327700      0.2223000     -0.2229000    
 C    1.918800     -0.4525000      0.3946000    
 C    1.472800       1.916100      0.5595000    
 C    3.275000     -0.1843000      0.2084000    
 C    2.829000       2.184400      0.3736000    
 C    3.730200       1.134200      0.1980000    
 C   -3.180400      -1.386600      3.9700001E-02
 C   -3.634300      0.9796000      0.2205000    
 C   -4.528600      -1.662400      0.2685000    
 C   -4.982200      0.7036000      0.4495000    
 C   -5.429400     -0.6174000      0.4736000    
 C  -0.8758000      0.4125000      -1.576500    
 H  -0.6925000      0.1792000       1.801600    
 H    1.540500      -1.472400      0.4073000    
 H   0.7812000       2.743500      0.6956000    
 H    3.182900       3.211100      0.3656000    
 H    4.779000       1.381600      5.5799998E-02
 H   -2.491300      -2.212800     -0.1181000    
 H   -3.302000       2.014900      0.2049000    
 H   -4.876900      -2.691000      0.2872000    
 H   -5.683700       1.517200      0.6092000    
 H   -6.479000     -0.8322000      0.6519000    


%chk=000138817-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000138817

0 1
O 5.637444 -1.090640 0.799349
O 3.894097 -2.453692 1.348994
N 4.376570 -1.348610 0.887875
N -1.459610 3.215825 -0.990708
C 1.097933 0.406588 0.089795
C -2.841954 0.159169 0.108102
C -0.319249 0.045553 0.221411
C -1.477629 0.739316 -0.079766
C 2.041711 -0.569593 0.521736
C 1.603866 1.638756 -0.431566
C 3.419210 -0.306418 0.428588
C 2.990901 1.876383 -0.512973
C 3.923320 0.907876 -0.084130
C -3.048060 -1.247289 0.194163
C -3.975689 1.014282 0.201713
C -4.338576 -1.774809 0.395822
C -5.266990 0.483944 0.402227
C -5.455755 -0.912699 0.505897
C -1.443462 2.091971 -0.578256
H -0.473255 -0.954753 0.646673
H 1.715913 -1.531694 0.929609
H 0.917933 2.415747 -0.774360
H 3.348816 2.828720 -0.916340
H 5.002843 1.069466 -0.137621
H -2.208336 -1.939682 0.070481
H -3.844683 2.099594 0.126601
H -4.476665 -2.859969 0.452256
H -6.124038 1.161652 0.476993
H -6.458407 -1.326095 0.658436


