%chk=000005732.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005732

0 1
 O  -0.3553000      -1.944400      -1.458200    
 N   -1.865700      0.5312000      0.2029000    
 N  -0.4996000       2.201500     -0.3847000    
 N   0.1982000      -3.617200      4.6900000E-02
 C  -0.5870000      6.4999998E-02  0.3721000    
 C   0.2307000       1.107700      4.9999999E-03
 C   -1.759900       1.838800     -0.2599000    
 C  -0.2761000      -1.296200      0.8546000    
 C    1.661400       1.078200      1.7500000E-02
 C   -3.079200     -0.1132000      0.4274000    
 C   -4.230300      0.5443000      0.1910000    
 C   -2.976600       2.535700     -0.5105000    
 C  -0.1508000      -2.304700     -0.2956000    
 C   -4.155700       1.920700     -0.2964000    
 C    2.365200      0.6615000      -1.115400    
 C    2.361900       1.466000       1.162700    
 C   -5.585700     -5.1100001E-02  0.3980000    
 C    4.455400       1.020200      4.1999999E-02
 C    3.759800      0.6324000      -1.103200    
 C    3.756400       1.437100       1.174800    
 C   0.3496000      -4.673900     -0.9509000    
 C   0.4369000      -4.028800       1.425100    
 C    5.946300      0.9893000      5.5100001E-02
 H   -1.036800      -1.646000       1.559500    
 H   0.6805000      -1.271700       1.390100    
 H   -3.062700      -1.135700      0.7839000    
 H   -2.939900       3.557100     -0.8723000    
 H   -5.085500       2.447700     -0.4859000    
 H    1.838500      0.3554000      -2.016500    
 H    1.832500       1.793200       2.054600    
 H   -6.152900      0.5289000       1.133700    
 H   -5.524600      -1.081900      0.7636000    
 H   -6.148000     -6.4999998E-02 -0.5416000    
 H    4.293000      0.3039000      -1.991400    
 H    4.287000       1.740000       2.073700    
 H    1.369500      -5.065400     -0.8991000    
 H  -0.3656000      -5.471900     -0.7322000    
 H   0.1631000      -4.292000      -1.957700    
 H   0.2796000      -3.248100       2.166900    
 H  -0.2361000      -4.859900       1.658600    
 H    1.471700      -4.376000       1.504900    
 H    6.354300       1.176800     -0.9440000    
 H    6.351800       1.762500      0.7165000    
 H    6.298800      1.2300000E-02  0.4002000    


%chk=000005732-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005732

0 1
O -1.657285 -2.523180 -0.966356
N -1.982078 0.493960 0.237783
N -0.480724 2.205842 -0.071080
N 0.232254 -3.627598 -0.162365
C -0.705262 -0.067194 0.380536
C 0.197990 1.005434 0.165031
C -1.802569 1.891629 -0.027110
C -0.473809 -1.460513 0.893726
C 1.671397 0.963460 0.180832
C -3.244318 -0.087647 0.304719
C -4.379867 0.701057 0.154607
C -2.961608 2.697148 -0.192836
C -0.673456 -2.573317 -0.159416
C -4.224597 2.114385 -0.092514
C 2.400039 -0.181013 -0.240896
C 2.404905 2.108775 0.595105
C -5.761955 0.080211 0.214059
C 4.545249 0.940553 0.226345
C 3.811831 -0.190323 -0.213388
C 3.812349 2.093681 0.617993
C 0.067406 -4.702258 -1.161781
C 1.330517 -3.776976 0.816044
C 6.063178 0.924517 0.278390
H -1.193664 -1.674418 1.713481
H 0.531648 -1.493021 1.341106
H -3.274733 -1.173879 0.403346
H -2.821167 3.761294 -0.396723
H -5.121597 2.730627 -0.219848
H 1.860998 -1.042521 -0.652735
H 1.846146 3.004831 0.883661
H -6.367610 0.529254 1.023904
H -5.711318 -1.007544 0.391765
H -6.311504 0.240955 -0.732450
H 4.353770 -1.078620 -0.561880
H 4.356274 2.990129 0.941370
H 0.982260 -4.805146 -1.774790
H -0.143083 -5.670298 -0.668473
H -0.780082 -4.436762 -1.811483
H 0.962462 -3.728188 1.856866
H 1.793420 -4.766738 0.673309
H 2.118184 -3.011347 0.683929
H 6.480395 0.094780 -0.318590
H 6.491268 1.868589 -0.104889
H 6.426446 0.801688 1.317498


