%chk=000020532.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020532

0 1
 O   0.4708000       2.447400     -0.9051000    
 N  -0.4842000      0.3349000     -0.9924000    
 N    1.076200     -0.9621000       1.257800    
 N   -4.078400       1.759000       1.067000    
 C   -1.608100      0.8947000      -1.762300    
 C   -2.904600      0.9413000     -0.9561000    
 C  -0.6107000      -1.041200     -0.5783000    
 C   4.8599999E-02  -1.587600      0.5355000    
 C   0.5626000       1.228700     -0.7153000    
 C    1.894300      0.7814000     -0.2655000    
 C   -2.818000       1.761300      0.3343000    
 C    2.088500     -0.1456000      0.7512000    
 C   -1.545900      -1.870200      -1.248800    
 C  -0.2705000      -2.906600      0.9499000    
 C    2.999300       1.472900     -0.8029000    
 C    3.400400     -0.3542000       1.227000    
 C   -1.833900      -3.172400     -0.8344000    
 C   -1.200900      -3.690700      0.2780000    
 C    4.289900       1.243800     -0.3305000    
 C    4.490700      0.3331000      0.6952000    
 C   -3.966300       2.532100       2.295900    
 H   -1.725200      0.3480000      -2.704000    
 H   -1.378800       1.917400      -2.083900    
 H   -3.267900     -6.1400000E-02 -0.7114000    
 H   -3.679200       1.382000      -1.598100    
 H   -2.538300       2.790500      7.8599997E-02
 H   -2.028000       1.352400      0.9751000    
 H    1.299300      -1.404500       2.144400    
 H   -2.077600      -1.545700      -2.138300    
 H   0.2376000      -3.341000       1.810400    
 H    2.866000       2.209400      -1.593000    
 H    3.582900      -1.084400       2.013900    
 H   -2.555100      -3.770900      -1.382800    
 H   -4.340600      0.8001000       1.293400    
 H   -1.415600      -4.699400      0.6157000    
 H    5.130200       1.784300     -0.7553000    
 H    5.490500      0.1477000       1.075500    
 H   -4.927000       2.523400       2.820200    
 H   -3.716300       3.577200       2.086000    
 H   -3.212300       2.111200       2.969100    


%chk=000020532-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000020532

0 1
O 0.711051 2.140854 -1.968818
N -0.512139 0.326209 -1.193154
N 0.775477 -0.660335 1.256677
N -3.927641 1.684119 1.323938
C -1.735503 0.959659 -1.779783
C -2.948750 0.937392 -0.828124
C -0.620893 -1.042995 -0.759430
C -0.071275 -1.494582 0.473189
C 0.679838 1.068610 -1.280712
C 1.915716 0.659020 -0.528381
C -2.708776 1.706035 0.485674
C 1.927115 -0.029272 0.720529
C -1.401839 -1.950940 -1.520954
C -0.360027 -2.804738 0.935041
C 3.134902 1.209093 -1.010360
C 3.131969 -0.086760 1.475666
C -1.683700 -3.253179 -1.059713
C -1.177028 -3.677649 0.189278
C 4.334205 1.111664 -0.282669
C 4.321926 0.479343 0.984613
C -3.815931 2.446878 2.581377
H -1.991951 0.476813 -2.742182
H -1.445546 1.995709 -2.019144
H -3.244066 -0.106242 -0.598684
H -3.803761 1.401626 -1.355551
H -2.472942 2.764125 0.254635
H -1.813547 1.285562 1.008514
H 0.896780 -0.985671 2.219598
H -1.810388 -1.623960 -2.481733
H 0.072537 -3.137213 1.887288
H 3.093870 1.760952 -1.954392
H 3.130118 -0.600856 2.445422
H -2.297402 -3.924933 -1.668460
H -4.245165 0.718738 1.488726
H -1.396614 -4.680735 0.569276
H 5.258714 1.541270 -0.680545
H 5.238566 0.416741 1.581626
H -4.752666 2.352917 3.159209
H -3.673909 3.518846 2.348998
H -2.966923 2.134185 3.239214


