%chk=000016087.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016087

0 1
 O   6.5200001E-02  -1.930500      5.9799999E-02
 O    1.214300       2.548600     -7.6200001E-02
 N   -3.276700       1.312800     -5.4400001E-02
 N   -1.026900       1.974200     -6.5600000E-02
 N   -1.623000     -0.3490000      4.9999999E-03
 N   0.6879000      0.2969000     -5.7000001E-03
 C   -4.459800      0.5451000     -3.4499999E-02
 C   -1.912500      0.9631000     -3.7500001E-02
 C   -5.616400       1.061800      0.5493000    
 C   -4.473800     -0.7302000     -0.5994000    
 C  -0.3052000     -0.6065000      1.8800000E-02
 C   0.2523000       1.566300     -4.7300000E-02
 C    1.415500      -2.206100      7.4299999E-02
 C    2.530900       2.141100     -5.7700001E-02
 C   -6.786900      0.3035000      0.5681000    
 C   -5.644300      -1.488500     -0.5805000    
 C   -6.801000     -0.9718000      3.1999999E-03
 C    2.076500      -2.306300       1.288800    
 C    2.087700      -2.377900      -1.126000    
 C    3.185200       1.900000      -1.255900    
 C    3.176100       1.979800       1.158600    
 C    3.443000      -2.585300       1.303500    
 C    3.454300      -2.656900      -1.111400    
 C    4.517600       1.487600      -1.237200    
 C    4.508500       1.567400       1.177300    
 C    4.132000      -2.760600      0.1034000    
 C    5.179300       1.321300     -2.0600000E-02
 H   -3.424600       2.312200      5.0200000E-02
 H   -5.618700       2.054000      0.9935000    
 H   -3.610700      -1.154400      -1.101600    
 H   -7.687600      0.7060000       1.022200    
 H   -5.658500      -2.477700      -1.029000    
 H   -7.713000      -1.561400      1.5799999E-02
 H    1.543800      -2.170700       2.225600    
 H    1.563900      -2.298200      -2.074000    
 H    2.673900       2.028400      -2.205500    
 H    2.657700       2.170500       2.093700    
 H    3.970900      -2.664700       2.249300    
 H    3.991000      -2.792000      -2.045900    
 H    5.039500       1.294600      -2.169900    
 H    5.023300       1.436700       2.124600    
 H    5.196400      -2.976300      0.1147000    
 H    6.216200      0.9987000     -6.0999999E-03


%chk=000016087-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000016087

0 1
O 0.053746 -2.110501 0.488233
O 1.188939 2.401826 -0.466684
N -3.216291 1.157916 -0.231237
N -0.989971 1.762341 -0.342459
N -1.590915 -0.561622 0.124697
N 0.741605 0.104367 0.006840
C -4.440966 0.447240 -0.095927
C -1.907952 0.748833 -0.141660
C -5.633289 1.206276 -0.257410
C -4.523523 -0.942959 0.183435
C -0.259658 -0.799352 0.184477
C 0.302503 1.373679 -0.256432
C 1.408761 -2.579603 0.508486
C 2.618708 2.349993 -0.451618
C -6.892262 0.585447 -0.142127
C -5.793769 -1.548271 0.295472
C -6.981774 -0.798937 0.135399
C 1.788439 -3.297845 1.658668
C 2.264502 -2.447163 -0.604694
C 3.193078 3.590127 -0.813791
C 3.419736 1.237011 -0.108785
C 3.072195 -3.886987 1.703262
C 3.546336 -3.038332 -0.543591
C 4.596104 3.722394 -0.837384
C 4.825894 1.393254 -0.138280
C 3.954455 -3.756269 0.605711
C 5.420691 2.622356 -0.499385
H -3.288881 2.159633 -0.433880
H -5.572086 2.280890 -0.473331
H -3.604882 -1.518413 0.306262
H -7.801762 1.182711 -0.269210
H -5.850259 -2.621194 0.510921
H -7.960075 -1.282717 0.225095
H 1.084168 -3.389482 2.490651
H 1.942970 -1.893744 -1.490664
H 2.531564 4.423525 -1.067343
H 2.959959 0.288561 0.167104
H 3.378597 -4.447068 2.593124
H 4.222150 -2.941336 -1.400156
H 5.042666 4.682324 -1.117966
H 5.454362 0.536003 0.128139
H 4.948560 -4.214327 0.642226
H 6.510928 2.725009 -0.516386


