%chk=000042565.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042565

0 1
 O   0.6081000       2.329700     -6.9999998E-04
 O   4.6000000E-02  -2.277800      5.6499999E-02
 O   -4.385200       1.579500      0.5906000    
 N   0.3295000      2.5699999E-02  2.7700000E-02
 N   -4.661300     -0.4896000     -0.4219000    
 N   -6.038400     -0.3800000     -0.4432000    
 C    2.766800       3.364900     -3.8600001E-02
 C    1.895200      -3.800400      1.0300000E-02
 C    4.275200       3.138300     -8.4899999E-02
 C    3.414600      -3.942000     -7.1000000E-03
 C    2.000800       2.049600     -2.8899999E-02
 C    1.466900      -2.339800      2.5599999E-02
 C  -0.2390000       1.252300      2.8899999E-02
 C  -0.5167000      -1.028300      5.6499999E-02
 C    5.034900       4.454200     -0.1381000    
 C    3.838400      -5.401700      2.1199999E-02
 C   -2.444600      0.3643000      8.6099997E-02
 C   -1.606500       1.473400      5.7100002E-02
 C   -1.897300     -0.9140000      8.6000003E-02
 C   -3.887500      0.5415000      0.1170000    
 H    2.497300       3.950800      0.8490000    
 H    2.446500       3.963400     -0.9008000    
 H    1.456700      -4.300200     -0.8625000    
 H    1.476700      -4.308900      0.8880000    
 H    4.535700       2.539300     -0.9653000    
 H    4.594100       2.572800      0.7983000    
 H    3.847100      -3.427100      0.8587000    
 H    3.822800      -3.464800     -0.9055000    
 H    2.247700       1.476400     -0.9313000    
 H    2.286000       1.470700      0.8586000    
 H    1.844900      -1.841600     -0.8760000    
 H    1.880600      -1.846800      0.9142000    
 H    4.820800       5.066500      0.7436000    
 H    6.113000       4.268400     -0.1691000    
 H    4.763300       5.028300      -1.029700    
 H    3.447600      -5.940400     -0.8479000    
 H    4.930000      -5.479800      6.6000000E-03
 H    3.474400      -5.898600      0.9262000    
 H   -1.998500       2.485500      5.2200001E-02
 H   -2.501400      -1.813400      0.1342000    
 H   -4.261200      -1.312800     -0.8598000    
 H   -6.325500     -0.4533000      -1.418400    
 H   -6.407400      -1.208400      2.1900000E-02


%chk=000042565-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042565

0 1
O 0.612758 2.315933 -0.063668
O 0.120024 -2.395119 0.000355
O -4.440862 1.554147 0.444046
N 0.388799 -0.041391 -0.046121
N -4.693184 -0.559934 -0.481948
N -6.111931 -0.491612 -0.530296
C 2.717443 3.504487 -0.070075
C 1.932948 -3.994920 0.034292
C 4.263057 3.437043 -0.071532
C 3.459203 -4.249267 0.025880
C 2.086453 2.111966 -0.065539
C 1.604130 -2.502335 -0.006254
C -0.191446 1.188900 -0.044735
C -0.431032 -1.122692 -0.017811
C 4.911154 4.838002 -0.070747
C 3.803820 -5.753321 0.068363
C -2.422959 0.254885 -0.010329
C -1.590320 1.395791 -0.024451
C -1.843927 -1.038711 0.001132
C -3.914990 0.481112 0.016888
H 2.366460 4.064512 0.817981
H 2.364557 4.060225 -0.960104
H 1.464344 -4.494159 -0.835678
H 1.482692 -4.441076 0.941948
H 4.608327 2.870281 -0.960346
H 4.609699 2.869005 0.815951
H 3.924510 -3.738811 0.893679
H 3.905619 -3.793434 -0.881419
H 2.366032 1.523140 -0.959858
H 2.368931 1.528265 0.831156
H 1.994384 -2.013200 -0.918837
H 2.006877 -1.962034 0.871240
H 4.609216 5.413521 0.824249
H 6.014387 4.771817 -0.074715
H 4.603056 5.417454 -0.961134
H 3.377924 -6.282069 -0.804819
H 4.896901 -5.916258 0.062900
H 3.395025 -6.227774 0.980054
H -2.015492 2.400347 -0.006914
H -2.426814 -1.959445 0.075239
H -4.278443 -1.366427 -0.949574
H -6.407687 0.361679 -1.027796
H -6.498544 -0.492726 0.424649


