%chk=000016347.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016347

0 1
 O   -2.678300      -2.402300      0.8960000    
 O   -1.513200       1.950500       2.344100    
 N  -0.7444000      -1.037400      0.7059000    
 N  -0.4196000      0.2470000       1.139900    
 C   -2.569200     -0.1911000       1.877400    
 C   -3.845900      0.3504000       1.262500    
 C   -2.039100      -1.381300       1.097200    
 C   -1.461200      0.8383000       1.842200    
 C   -3.634600      0.7762000     -0.1914000    
 C   0.1920000      -1.796100     -3.6100000E-02
 C   -4.932300       1.289100     -0.8181000    
 C    1.449000      -1.211200     -0.3155000    
 C   0.7971000      0.8076000      0.8641000    
 C    1.751100      0.1632000      0.1665000    
 C   -4.711100       1.745400      -2.260000    
 C  -8.3700001E-02  -3.090700     -0.4948000    
 C    2.993000      0.9014000     -4.0899999E-02
 C    2.396900      -1.941800      -1.050100    
 C   0.8716000      -3.801300      -1.223100    
 C    2.108100      -3.229200      -1.500400    
 C   -5.991400       2.286900      -2.875500    
 C    3.139000       1.709100      -1.165700    
 C    4.025400      0.7940000      0.8871000    
 C    4.326000       2.414400      -1.363800    
 C    5.212400       1.499300      0.6890000    
 C    5.362600       2.309600     -0.4364000    
 H   -2.723400     -0.4994000       2.917100    
 H   -4.629800     -0.4158000       1.306300    
 H   -4.202900       1.209100       1.844400    
 H   -2.880200       1.569300     -0.2517000    
 H   -3.269300     -6.4199999E-02 -0.7927000    
 H   -5.319500       2.126200     -0.2244000    
 H   -5.691300      0.4977000     -0.7943000    
 H   0.9406000       1.813300       1.248600    
 H   -4.347000      0.9064000      -2.864300    
 H   -3.941500       2.525400      -2.290600    
 H   -1.031800      -3.580700     -0.3042000    
 H    3.373200      -1.525000      -1.284500    
 H   0.6478000      -4.804800      -1.574100    
 H    2.849300      -3.784800      -2.067500    
 H   -6.362900       3.149500      -2.313200    
 H   -5.810800       2.606100      -3.906700    
 H   -6.774300       1.521900      -2.888700    
 H    2.340600       1.800300      -1.898100    
 H    3.924000      0.1657000       1.768700    
 H    4.443300       3.045000      -2.240200    
 H    6.019800       1.417500       1.410700    
 H    6.286900       2.858600     -0.5908000    


%chk=000016347-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000016347

0 1
O -2.619068 -2.561374 0.502027
O -1.467552 1.757975 2.452229
N -0.702502 -1.164954 0.576069
N -0.380301 0.108164 1.175763
C -2.611001 -0.380595 1.742603
C -3.927271 0.218366 1.172992
C -2.032377 -1.509538 0.878364
C -1.481692 0.639493 1.873009
C -3.780056 0.841225 -0.232204
C 0.313551 -1.879541 -0.133774
C -5.113647 1.418803 -0.756367
C 1.599404 -1.266108 -0.309715
C 0.857009 0.712853 0.944116
C 1.846618 0.102002 0.215919
C -4.993553 2.035491 -2.168837
C 0.044163 -3.174236 -0.631190
C 3.116893 0.843898 -0.028393
C 2.606036 -2.027071 -0.952754
C 1.067506 -3.890595 -1.293861
C 2.350738 -3.326307 -1.444942
C -6.328329 2.613629 -2.686125
C 3.657565 0.974628 -1.338488
C 3.788736 1.488073 1.046825
C 4.829978 1.727267 -1.563054
C 4.960513 2.242874 0.821026
C 5.488319 2.364213 -0.484885
H -2.830669 -0.796202 2.746034
H -4.678327 -0.593835 1.147167
H -4.282853 0.984535 1.888022
H -3.020138 1.648706 -0.205302
H -3.412841 0.073628 -0.943674
H -5.483045 2.191535 -0.050220
H -5.880772 0.616629 -0.772160
H 0.928983 1.718366 1.363082
H -4.625959 1.261611 -2.873206
H -4.223594 2.833595 -2.153408
H -0.949066 -3.605282 -0.493063
H 3.606133 -1.596529 -1.054711
H 0.853259 -4.893613 -1.677360
H 3.149529 -3.889081 -1.938543
H -6.700014 3.412686 -2.017128
H -6.218180 3.044517 -3.698194
H -7.106971 1.829047 -2.735525
H 3.139064 0.513400 -2.186312
H 3.398732 1.376238 2.065180
H 5.223860 1.824683 -2.580909
H 5.464835 2.727399 1.664453
H 6.399353 2.946634 -0.660674


