%chk=000118044.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118044

0 1
 O   -2.486900       2.146600     -0.2098000    
 O   0.8209000      -2.215300      9.3300000E-02
 N   -1.710600     -0.4911000      -1.292700    
 N  -0.9767000     -0.1890000      0.9602000    
 C   -3.081200      0.8963000      0.1351000    
 C   -3.061500     -2.0199999E-02  -1.081900    
 C  -0.7874000     -0.5370000     -0.2713000    
 C   0.5899000      -1.031800     -0.6442000    
 C   -2.332900      0.2674000       1.311100    
 C    1.631700      4.9000001E-03 -0.3380000    
 C    1.974500      0.9419000      -1.305800    
 C    2.243100      1.7899999E-02  0.9103000    
 C  -0.1581000      -3.211600     -0.1839000    
 C   -2.527300       3.055400      0.8795000    
 C    2.942300       1.905300      -1.021500    
 C    3.210800      0.9814000       1.194700    
 C    3.560300       1.925200      0.2286000    
 C   0.1491000      -4.446400      0.6363000    
 H   -4.127300       1.080200      0.4108000    
 H   -3.713900     -0.8842000     -0.9172000    
 H   -3.403700      0.5086000      -1.977400    
 H   0.6392000      -1.280100      -1.712300    
 H   -2.256500      0.9332000       2.174200    
 H   -2.892900     -0.6089000       1.662000    
 H   -1.467800     -0.8101000      -2.226100    
 H    1.497600      0.9374000      -2.282000    
 H    1.983100     -0.6997000       1.683200    
 H   -1.166300      -2.885200      8.8100001E-02
 H  -0.1385000      -3.464300      -1.250100    
 H   -3.479300       3.017900       1.418900    
 H   -2.413500       4.064600      0.4719000    
 H   -1.684200       2.890100       1.556100    
 H    3.213800       2.640700      -1.773200    
 H    3.690700      0.9986000       2.168900    
 H    4.313200       2.675900      0.4504000    
 H  -0.5805000      -5.237600      0.4420000    
 H    1.150100      -4.824500      0.4032000    
 H   0.1390000      -4.211100       1.705700    


%chk=000118044-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000118044

0 1
O -3.393227 0.016140 1.375788
O 1.083375 -1.112337 1.062120
N -0.687295 0.964798 0.666921
N -1.657733 -0.328570 -1.129773
C -3.129867 1.080296 0.387781
C -1.872965 1.800167 0.910454
C -0.692218 -0.046588 -0.279604
C 0.589554 -0.896224 -0.306233
C -2.862142 0.538783 -1.040120
C 1.699311 -0.235319 -1.127179
C 1.455644 0.064785 -2.491642
C 2.960012 0.067042 -0.561132
C 0.208566 -2.018221 1.842007
C -4.553641 -0.818630 1.066338
C 2.462871 0.663263 -3.279060
C 3.966375 0.669633 -1.352000
C 3.722909 0.969365 -2.711535
C 0.819398 -2.150034 3.235861
H -3.990478 1.786032 0.371552
H -1.776668 2.783640 0.408116
H -1.990907 1.977914 1.994057
H 0.303831 -1.861838 -0.772807
H -3.728756 -0.037723 -1.410735
H -2.756489 1.410209 -1.721510
H 0.082684 0.952663 1.339502
H 0.473368 -0.164809 -2.921444
H 3.142278 -0.181512 0.487966
H -0.818815 -1.599320 1.886373
H 0.162808 -3.002027 1.328397
H -5.457958 -0.202895 0.870094
H -4.723605 -1.436769 1.962425
H -4.367647 -1.480984 0.198316
H 2.266796 0.889568 -4.333505
H 4.941105 0.900532 -0.906566
H 4.505007 1.433564 -3.323314
H 0.211428 -2.833857 3.855836
H 1.846083 -2.550716 3.174899
H 0.859305 -1.168622 3.740457


