%chk=000058186.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058186

0 1
 O   -2.536400       1.430700      0.4813000    
 O    5.267700      0.2199000      0.9770000    
 N    3.964000      0.7570000     -0.8705000    
 N   -6.654300      -2.209500     -0.3655000    
 N    6.398200      -3.073700      0.7001000    
 C    1.126200       1.645000     -0.4230000    
 C    2.346000       2.166300      0.3432000    
 C  -0.1514000       1.781800      0.4114000    
 C    3.627000       2.099200     -0.4825000    
 C   -1.385900       1.300300     -0.3411000    
 C   -3.551700      0.5332000      0.2727000    
 C    4.765200     -8.3400004E-02 -0.1021000    
 C   -3.750100      2.6000000E-03 -0.9965000    
 C   -4.371300      0.1640000       1.332500    
 C    4.947000      -1.438400     -0.7564000    
 C   -4.783200     -0.9104000      -1.208900    
 C   -5.404300     -0.7490000       1.120300    
 C   -5.610200      -1.286100     -0.1504000    
 C    5.757600      -2.349500      5.8499999E-02
 H    1.269700      0.5916000     -0.6905000    
 H    1.013500       2.205900      -1.358500    
 H    2.470400       1.584800       1.265100    
 H    2.173700       3.207700      0.6401000    
 H  -5.2900001E-02   1.215200       1.346000    
 H  -0.2983000       2.827300      0.7100000    
 H    3.521400       2.687600      -1.400100    
 H    4.456700       2.522900      9.3699999E-02
 H   -1.208600      0.2544000     -0.6244000    
 H   -1.525700       1.900500      -1.247900    
 H    3.590500      0.4116000      -1.750000    
 H   -3.148100      0.2906000      -1.852800    
 H   -4.214000      0.5800000       2.323500    
 H    5.421900      -1.288800      -1.732600    
 H    3.956900      -1.875600     -0.9287000    
 H   -4.937800      -1.317300      -2.205100    
 H   -6.041900      -1.034000       1.953300    
 H   -6.804200      -2.598600      -1.286800    
 H   -7.254900      -2.482000      0.4012000    


%chk=000058186-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058186

0 1
O -2.360870 0.791470 0.805582
O 5.984337 1.079854 0.695285
N 4.250256 0.839126 -0.851867
N -7.326524 -1.706312 -0.300455
N 4.354244 -2.357987 -2.259820
C 1.207975 1.389004 -0.385819
C 2.394040 2.146792 0.252378
C -0.057983 1.431902 0.500046
C 3.667607 2.176426 -0.623754
C -1.229711 0.666995 -0.121830
C -3.564843 0.138942 0.452286
C 5.355158 0.396988 -0.163585
C -3.762421 -0.613373 -0.729873
C -4.628112 0.272032 1.377428
C 5.849998 -1.042355 -0.495033
C -5.011921 -1.225368 -0.977936
C -5.870460 -0.336864 1.129378
C -6.086489 -1.099902 -0.056593
C 5.041961 -1.790091 -1.465303
H 1.491399 0.330553 -0.564494
H 0.981492 1.830893 -1.379412
H 2.644148 1.699847 1.233890
H 2.093913 3.196144 0.447742
H 0.161256 0.998975 1.494770
H -0.367085 2.481453 0.668156
H 3.441260 2.631780 -1.607428
H 4.449252 2.781507 -0.133349
H -0.971564 -0.404902 -0.263364
H -1.501837 1.094916 -1.111200
H 3.796169 0.212694 -1.520935
H -2.960796 -0.734844 -1.464690
H -4.461089 0.857060 2.287460
H 5.898380 -1.593896 0.461468
H 6.889701 -0.951207 -0.859600
H -5.150664 -1.806990 -1.897719
H -6.682733 -0.223447 1.857925
H -7.481596 -2.255846 -1.139487
H -8.087450 -1.618168 0.365349


