%chk=000016758.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016758

0 1
 O    4.168200      0.5276000       1.457000    
 O   -4.168200      0.5308000      -1.458300    
 N    4.282100       1.234700     -0.7624000    
 N   -4.285100       1.226900      0.7643000    
 N    3.544900     -0.8854000     -0.2778000    
 N   -3.532200     -0.8853000      0.2693000    
 C    5.299300       2.236700     -0.6366000    
 C    3.869800       2.605100     -0.6801000    
 C   -3.883300       2.600800      0.6879000    
 C   -5.310000       2.221800      0.6442000    
 C   0.7168000      -1.980000     -0.2140000    
 C  -0.7450000      -2.024600      0.2377000    
 C    1.715500      -2.007700      0.9488000    
 C   -1.696000      -1.987200     -0.9635000    
 C    4.013900      0.3140000      0.2549000    
 C   -4.011000      0.3130000     -0.2574000    
 C    3.183900      -2.023900      0.5340000    
 C   -3.163600      -2.017300     -0.5481000    
 H    5.820900       2.257700      0.3092000    
 H    5.898800       2.350100      -1.527800    
 H    3.367700       2.882500      0.2355000    
 H    3.450800       2.980400      -1.602000    
 H   -3.466100       2.975100       1.611100    
 H   -3.384400       2.886200     -0.2270000    
 H   -5.832800       2.243100     -0.3009000    
 H   -5.909300       2.326700       1.536500    
 H   0.8767000      -1.073000     -0.8098000    
 H   0.9163000      -2.832800     -0.8748000    
 H  -0.9376000      -1.173100      0.9006000    
 H  -0.9228000      -2.936500      0.8201000    
 H    1.533000      -1.133600       1.586800    
 H    1.520900      -2.893200       1.566300    
 H   -1.494700      -2.845400      -1.615700    
 H   -1.501500      -1.082200      -1.552400    
 H    3.820100      -2.044200       1.425400    
 H    3.400100      -2.921000     -5.5599999E-02
 H   -3.378100      -2.920500      3.2900002E-02
 H   -3.798100      -2.032800      -1.440800    
 H    3.445800     -0.9569000      -1.285900    
 H   -3.434700     -0.9616000       1.277300    


%chk=000016758-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000016758

0 1
O 4.602348 0.390049 1.415649
O -4.598563 0.386775 -1.412817
N 4.531389 1.301314 -0.843425
N -4.536109 1.282102 0.852889
N 3.638861 -0.791904 -0.363167
N -3.638877 -0.806329 0.360510
C 5.936457 1.910327 -0.770349
C 4.747820 2.704193 -0.290004
C -4.755642 2.688079 0.308724
C -5.942920 1.887415 0.781076
C 0.732928 -1.921076 -0.255502
C -0.729034 -1.926197 0.245814
C 1.763078 -1.920040 0.895848
C -1.759218 -1.920027 -0.905498
C 4.279103 0.286361 0.195171
C -4.278394 0.275239 -0.192212
C 3.235041 -1.969722 0.420556
C -3.231038 -1.977807 -0.430633
H 6.604548 1.508165 -0.000033
H 6.383736 2.113358 -1.747484
H 4.636476 2.820529 0.793818
H 4.322308 3.492963 -0.916735
H -4.333805 3.473772 0.941774
H -4.642326 2.812153 -0.774033
H -6.608263 1.488604 0.006648
H -6.392809 2.082326 1.758667
H 0.889363 -1.028734 -0.895780
H 0.900750 -2.809642 -0.900951
H -0.889249 -1.039837 0.893426
H -0.893115 -2.820746 0.883912
H 1.624537 -1.020902 1.527063
H 1.586251 -2.799625 1.548422
H -1.579594 -2.794211 -1.564530
H -1.623585 -1.015859 -1.530113
H 3.905691 -2.017379 1.296247
H 3.403770 -2.874754 -0.194993
H -3.396760 -2.887227 0.179201
H -3.901341 -2.022274 -1.306765
H 3.406731 -0.711639 -1.354511
H -3.409545 -0.732795 1.353019


