%chk=000012913.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012913

0 1
 O   -2.437100       2.657400       1.055000    
 O    2.016700       1.760600      -1.104600    
 O   -5.474700      -2.057200      0.4968000    
 N  -7.8299999E-02   1.311000      0.5900000    
 N    1.077400      0.5835000      0.6556000    
 N    5.631300      -1.419100      0.1202000    
 N   -4.759600      -2.019200     -0.5034000    
 C   -1.285100      0.7014000      0.3702000    
 C    3.322400      7.9200000E-02 -0.1172000    
 C   -1.404900     -0.6226000      0.1861000    
 C   -2.449800       1.635000      0.3713000    
 C    2.080000      0.8856000     -0.2446000    
 C   -2.593300      -1.431200      5.9799999E-02
 C   -3.567300       1.410400     -0.5734000    
 C   -3.798200      -1.087300     -0.4311000    
 C   -4.107600      0.2405000     -0.9290000    
 C    4.514700      0.6246000     -0.5292000    
 C    3.242200      -1.187800      0.4093000    
 C    5.643400     -0.1668000     -0.3892000    
 C    4.427800      -1.898100      0.5073000    
 H  -2.9899999E-02   2.307100      0.7673000    
 H  -0.5113000      -1.246000      0.1971000    
 H    1.146500     -6.6399999E-02   1.430800    
 H   -2.435400      -2.460100      0.3886000    
 H   -4.001500       2.321300     -0.9803000    
 H   -4.937200      0.2885000      -1.635400    
 H    4.596200       1.623400     -0.9417000    
 H    2.318700      -1.661200      0.7192000    
 H    6.619100      0.1988000     -0.6920000    
 H    4.439800      -2.906900      0.9068000    


%chk=000012913-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000012913

0 1
O -2.017621 3.032361 0.735631
O 1.484201 0.981621 -1.371254
O -4.404868 -3.044244 -1.316946
N -0.150756 1.352606 0.869228
N 1.078655 0.701497 0.911267
N 5.754431 -1.352300 0.238592
N -4.812496 -1.833713 -1.149432
C -1.309703 0.786294 0.396809
C 3.195909 -0.117681 -0.028709
C -1.377603 -0.580209 0.049483
C -2.384123 1.851420 0.356887
C 1.870028 0.562353 -0.248498
C -2.478915 -1.317460 -0.415775
C -3.740891 1.594460 -0.072375
C -3.800994 -0.888954 -0.664763
C -4.348214 0.422884 -0.507249
C 4.217511 0.110555 -0.983266
C 3.473106 -0.991532 1.053975
C 5.468849 -0.517907 -0.807561
C 4.756344 -1.578640 1.142506
H -0.221272 2.381221 1.011253
H -0.437225 -1.134752 0.161082
H 1.459521 0.505539 1.839883
H -2.315195 -2.386882 -0.624310
H -4.361572 2.498406 -0.032861
H -5.411590 0.481923 -0.780010
H 4.020562 0.760790 -1.840568
H 2.716037 -1.259186 1.799670
H 6.281627 -0.358234 -1.523831
H 5.001259 -2.263836 1.961441


