%chk=000052790.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052790

0 1
 O   -1.216800       1.320700      -1.785100    
 O    6.578800     -0.5838000       1.232800    
 O    1.535300     -0.9269000       1.403000    
 N  -0.4212000      0.6548000      0.2853000    
 N   0.8892000      0.6837000     -0.1306000    
 C   -3.599000     -0.1990000     -0.1497000    
 C   -4.914700     -0.1573000      0.3698000    
 C   -2.801100      0.9554000     -9.2799999E-02
 C   -3.119400      -1.394100     -0.7101000    
 C   -5.393900       1.037800      0.9306000    
 C   -3.293500       2.134300      0.4677000    
 C   -5.712500      -1.311800      0.3129000    
 C   -4.587500       2.175300      0.9784000    
 C   -1.435600      0.9903000     -0.6088000    
 C   -3.925800      -2.531600     -0.7584000    
 C   -5.219800      -2.490400     -0.2481000    
 C    3.200900     -4.8200000E-02  2.4999999E-03
 C    1.801000     -0.1477000      0.4912000    
 C    4.230800     -0.3670000      0.8629000    
 C    3.425400      0.3593000      -1.296100    
 C    5.544800     -0.2739000      0.4040000    
 C    4.739200      0.4524000      -1.754900    
 C    5.798900      0.1356000     -0.9050000    
 C    7.896700     -0.4680000      0.6982000    
 H   -2.115400      -1.469400      -1.120900    
 H   -6.402100       1.092900       1.335900    
 H   -2.677600       3.029200      0.5118000    
 H   -6.727000      -1.302600      0.7060000    
 H   -4.970600       3.093300       1.414600    
 H   -3.543300      -3.449600      -1.194900    
 H   -5.847100      -3.376200     -0.2860000    
 H  -0.5953000      0.4009000       1.252800    
 H    1.120100       1.381100     -0.8298000    
 H    4.043600     -0.6824000       1.885500    
 H    2.627800      0.5839000      -1.996500    
 H    4.936300      0.7644000      -2.776500    
 H    6.793900      0.2280000      -1.326600    
 H    8.594000     -0.7526000       1.493100    
 H    8.130100      0.5663000      0.4235000    
 H    8.056900      -1.164400     -0.1319000    


%chk=000052790-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052790

0 1
O -1.174353 -0.193441 -1.732675
O 6.826766 0.144380 1.375539
O 1.847895 0.765860 1.822642
N -0.307567 0.437417 0.295074
N 0.971444 0.295981 -0.246043
C -3.874890 -0.414964 -0.261380
C -5.142850 -0.159094 0.399328
C -2.734647 0.402317 0.101492
C -3.811603 -1.475963 -1.227461
C -5.243609 0.893434 1.366907
C -2.884410 1.432541 1.047674
C -6.283356 -0.966382 0.075041
C -4.135779 1.680266 1.682611
C -1.393535 0.186671 -0.528725
C -4.941463 -2.244948 -1.518072
C -6.188405 -1.992597 -0.865032
C 3.415997 0.322473 -0.010305
C 2.055425 0.481161 0.592999
C 4.506569 0.303183 0.884611
C 3.645063 0.201658 -1.410400
C 5.825464 0.152694 0.396174
C 4.961696 0.053212 -1.885627
C 6.061287 0.023386 -0.996095
C 8.214534 -0.005764 0.929285
H -2.869943 -1.654068 -1.751858
H -6.210688 1.076169 1.850231
H -2.037820 2.088969 1.278940
H -7.233789 -0.761507 0.582117
H -4.219922 2.495188 2.408749
H -4.873857 -3.048139 -2.260068
H -7.063982 -2.604898 -1.106830
H -0.304761 0.631129 1.302596
H 0.958000 -0.003799 -1.226432
H 4.325618 0.407554 1.958245
H 2.823880 0.246598 -2.133749
H 5.142938 -0.035525 -2.962224
H 7.074200 -0.092813 -1.392262
H 8.814142 0.014710 1.850717
H 8.517555 0.829400 0.268110
H 8.367253 -0.969750 0.405958


