%chk=000032311.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032311

0 1
 O  -0.9614000      -3.392000      0.1347000    
 N   -5.932000       1.718000     -0.1404000    
 N   -3.803100     -0.2445000     -0.1690000    
 N   -2.699700     -0.9387000     -0.5171000    
 C   -6.177200      0.3434000     -0.5903000    
 C   -4.873300       1.737400      0.8751000    
 C   -4.896200     -0.2873000      -1.142800    
 C   -3.583400       1.114800      0.3336000    
 C   -7.158700       2.320400      0.3782000    
 C   -2.064600      -1.392600      0.5058000    
 C  -0.8239000      -2.184900      0.2666000    
 C   0.4871000      -1.504900      0.1898000    
 C    2.938000     -0.2331000      4.3900002E-02
 C   0.5427000     -0.1318000      0.3423000    
 C    1.624200      -2.259100     -3.3900000E-02
 C    4.220500      0.4325000     -3.2200001E-02
 C    1.779100      0.5098000      0.2687000    
 C    2.860600      -1.617500     -0.1074000    
 C    4.695900      0.8908000      -1.260900    
 C    4.981500      0.6153000       1.122300    
 C    5.932400       1.532000      -1.334900    
 C    6.218000       1.256700       1.048200    
 C    6.693400       1.715100     -0.1804000    
 H   -6.932400      0.3419000      -1.385600    
 H   -6.566900     -0.2737000      0.2309000    
 H   -5.188900       1.200900       1.780300    
 H   -4.659100       2.772500       1.167900    
 H   -5.110900      -1.329700      -1.408200    
 H   -4.595800      0.2235000      -2.067300    
 H   -3.172300       1.745100     -0.4664000    
 H   -2.845400       1.112900       1.144600    
 H   -7.553300       1.778200       1.245300    
 H   -7.933200       2.342200     -0.3964000    
 H   -6.980900       3.360300      0.6738000    
 H   -2.346300      -1.261700       1.565400    
 H  -0.3373000      0.4769000      0.5212000    
 H    1.583000      -3.337600     -0.1542000    
 H    1.822000       1.589800      0.3895000    
 H    3.754400      -2.211500     -0.2833000    
 H    4.115400      0.7563000      -2.170600    
 H    4.625800      0.2641000       2.088100    
 H    6.302700       1.889000      -2.291500    
 H    6.810700       1.399300       1.947100    
 H    7.656100       2.214500     -0.2382000    


%chk=000032311-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000032311

0 1
O -0.648068 -2.645503 2.535031
N -6.226833 1.453609 -0.044302
N -3.643099 0.383209 0.572686
N -2.367894 -0.040231 0.774632
C -5.056895 1.813014 -0.879712
C -6.099633 0.059371 0.433663
C -3.769529 1.718985 -0.045648
C -4.835036 -0.120536 1.296390
C -7.512344 1.699368 -0.728217
C -2.087273 -1.077239 1.557907
C -0.728250 -1.624809 1.761027
C 0.525922 -1.072289 1.136680
C 3.031794 -0.165539 0.060957
C 0.587669 0.086135 0.314255
C 1.737218 -1.768202 1.409352
C 4.331241 0.308045 -0.493923
C 1.818951 0.526998 -0.208054
C 2.961607 -1.326883 0.882480
C 4.396257 0.956169 -1.759334
C 5.544812 0.125488 0.226906
C 5.626537 1.405316 -2.283935
C 6.775849 0.574214 -0.296273
C 6.824133 1.217151 -1.555210
H -5.176344 2.851959 -1.237021
H -4.969901 1.146841 -1.776306
H -6.060762 -0.666194 -0.419763
H -6.982786 -0.191687 1.049267
H -2.875884 1.879003 -0.670107
H -3.795600 2.497593 0.745607
H -4.948696 0.422977 2.258168
H -4.705800 -1.194315 1.515058
H -7.649477 1.079528 -1.649529
H -7.580115 2.763088 -1.017014
H -8.347378 1.479476 -0.039617
H -2.842035 -1.639675 2.131665
H -0.332155 0.633823 0.100849
H 1.680090 -2.662514 2.038558
H 1.845343 1.443168 -0.809019
H 3.872189 -1.902759 1.082148
H 3.481484 1.080591 -2.349858
H 5.519426 -0.342850 1.217346
H 5.652887 1.893019 -3.264975
H 7.695777 0.430602 0.281630
H 7.779899 1.565484 -1.962147


